Evaluation of a model for simulating biofilm processes in porous media reactors
by Warren Thomas Sharp
A thesis submitted in partial fulfillment of the requirements for the degree of Master of Science in
Chemical Engineering
Montana State University
© Copyright by Warren Thomas Sharp (1996)
Abstract:
Biofilms are ubiquitously present in many natural and manmade porous media systems. Natural and
engineered biofilm systems are important to bioremediation and biofiltration and include both
one-fluid-phase flow and two-fluid-phase flow systems. Complex interactions exist between net
biomass accumulation, porous media characteristics, and the rates of biofilm/biological processes. This
complexity requires a systematic approach to analyzing experimental results. The dynamic behavior of
biofilms in porous media is encapsulated in the rates of the biofilm/biological processes contributing to
net biomass accumulation. The key to understanding and predicting biofilm/biological processes in
porous media is modeling. The goal of this research is to evaluate a biofilm process model in porous
media systems for the prediction of experimental results.
Most porous media biofilm models in the literature pertaining to both one-fluid-phase and
two-fluid-phase flow porous media systems utilize insufficient biofilm models. The mixed-culture
biofilm model (MCB) overcomes many limitations of the former. Combining the MCB model with the
appropriate reactor transport models give a porous media biofilm reactor model that has the capability
to simulating many types of porous media biofilm systems. Experimental data from four separate
systems, including two one-fluid-phase and two two-fluid-phase, were analyzed in order to evaluate the
MCB model coupled with the appropriate reactor transport model.
Predicted results from the model for which experimental data exists give a good fit. However, the
model can predict more than what is available experimentally; therefore, a full evaluation of model
capabilities is not possible at this time. A simulation-experimentation framework which can elucidate
necessary experimental data for further model evaluation is provided. EVALUATION OF A MODEL FOR SIMULATING
BIOFILM PROCESSES IN POROUS MEDIA REACTORS
by
Warren Thomas Sharp
A thesis submitted in partial fulfillment
of the requirements for the degree
of
Master of Science
in
Chemical Engineering
MONTANA STATE UNIVERSITY - BOZEMAN
Bozeman, Montana
May 1996
ii
APPROVAL
of a thesis submitted by
Warren Thomas Sharp
This thesis has been read by each member of the thesis committee and has been
found to be satisfactory regarding content, English usage, format, citations, bibliographic
style, and consistency, and is ready for submission to the College of Graduate Studies.
/ 2 / 9U
Dr. John Sears
D atej/
Dr. Al Cunningham
Approved for the Department of Chemical Engineering
Dr. John Sears
Approved for the College of Graduate Studies
Robert L. Brown
(Signature)
Date
iii
STATEMENT OF PERMISSION TO USE
In presenting this thesis in partial fulfillment of the requirements for a master’s
degree at Montana State University - Bozeman, I agree that the Library shall make it
available to borrowers under rules of the Library.
If I have indicated my intention to copyright this thesis by including a copyright
notice page, copying is allowable only for scholarly purposes, consistent with “fair use”
as prescribed in the U.S. Copyright Law. Requests for permission for extended quotation
from or reproduction of this thesis in whole or parts may be granted only by the copyright
holder.
Signature
Date
iv
TABLE OF CONTENTS '
Page
INTRODUCTION................................................................................................................ I
Relevance of Biofilms in Porous Media........................................................................ I
Complexity of Biofilms and Biofilm Processes in Porous Media................................. I
Relevance of Modeling Biofilm/Biological Processes in Porous M edia......................3
Porous Media Biofilm Reactor Models.........................................................................4
Porous Media Groundwater Biofilm Models............................................
4
Biofilter Models....................................................................................................... 5
The Extended Mixed-Culture Biofilm Model.....................
5
Research Goal................................................................................................................6
MODELING........................................................................................................................8
One-fluid-phase Flow Porous Media Reactor................................................................9
Two-fluid-phase Flow Porous Media Reactor............................................................. 10
Biofilm......................................................................................................................... 11
Biological Reactions.........................
14
Biological Process Stoichiometry Matrices........................................................... 15
EXPERIMENTAL SYSTEMS......................................................................................—17
One-fluid-phase Flow Porous Media Reactor Experiments........................................ 17
Case I - Microbial transport experiment............................................................... 17
Case 2 - Biofilm detachment experiment............................................................... 18
Two-fluid-phase Flow Porous Media Reactor Experiments....................................... 18
Case 3 - Flat plate VPBR experiment.................................................................... 18
Case 4 - Bench-scale VPBR experiment................
20
SIMULATION.... ..............................................
21
Aquasim........ ......................................:.......................................................................21
One-fluid-phase Flow Porous Media Reactor Simulations Case I and Case 2 .....................................................................................................21
Two-fluid-phase Flow Porous Media Reactor Simulations Case 3 and Case 4 .....................................................................................................24
RESULTS..........................................................................................................................28
Case 1...........................................................................................................................28
V
TABLE OF CONTENTS - continued
Page
Case 2 ...........................................................................................................................29
Case 3 ...............................................................................................................
30
Case 4 ................................................................................................................
30
DISCUSSION....................................................................................................................52
Case 1...........................................................................................................................52
Case 2 ........................................................................................................................... 53
Case 3 ........................................................................................................................... 54
Case 4 ........................................................................................................................... 55
Overall.......................................................................................................................... 56
Simulation-Experimentation Integration......................................................................56
CONCLUSIONS................................................................................................................59
Case I .......................................................................................................................... -59
Case 2 ........................................................................................................................... 59
Case 3........................................................................................................................... 60
Case 4 ...........................................................................................................................60
Overall..........................................................................................................................60
Simulation-Experimentation Integration......................................................................61
RECOMMENDATIONS...................................................................................................62
REFERENCES CITED......................................................................................................63
APPENDICES...................................................................................................................65
Appendix A - Materials and methods for Case 2 - MSU biofilm detachment
experiment............................................................................................66
Appendix B - Tables of Results...................................................................................70
BT - Case 1............................................................................................................71
B.2 - Case 2 ............................................................................................................78
B.3 - Case 3............................................................................................................86
B. 4 - Case 4 .........................................................................................................89
Appendix C - Aquasim data files................................................................................. 96
CT - Case I ..................................................................................
97
C. 2 - Case 2 .......................................................................................................108
C.3 - Case 3.......................................................................................................... 118
C.4 - Case 4.......................................................................................................... 135
LIST OF TABLES
Table
Page
1. Biological process stoichiometry matrix for general
growth processes............................................................................................... 15
2. Biological stiochiometry matrix for Cases I and 2........................ .................22
3. Summary of parameters for Case I ........... ...................................................... 23
4. Summary of parameters for Case 2..................................................................23
5. Biological process stoichiometry matrix for Cases
3 and 4.............................................................................................................-26
6. Summary of parameters for Cases 3 and 4 ............................. ........................27
7. Time series aje values for Case I ...... .....................................:........................29
8. Time series ade values for Case 2 ...... :...............
30
9. Predicted and experimental vapor phase toluene
concentration results for Case 3...................................................................... 31
vii
LIST OF FIGURES
Figure
Page
1. Complexity of biofilms in porous media.............................................................2
2. Conceptual model of integrated biofilm and reactor
models.......................................................................................................... -......8
3. Diagram of experimental setup for the flat plate VPBR.................................... 19
4. Diagram of experimental setup for the bench scape
VPBR.......... .........................................
20
5. Case I - Predicted and experimental acetate
concentration profiles...............................
32
6. Case I - Predicted and experimental nitrate
concentration profiles........................................................
32
I. Case I - Predicted and experimental biomass
concentration profiles........................................................................................33
8. Case I - Predicted and experimental biofilm thickness
profiles...................................................................................................
33
9. Case I - Predicted detachment velocity profiles................................................34
10. Case I - Predicted attachment velocity profiles.................................................34
II. Case I - Predicted temporal biofilm thickness profiles,....................................35
12. Case 2, Run I - Experimental flow rate................................................
36
13. Case 2, Run I - Predicted and experimental glucose
concentration profiles.....................................................
36
14. Case 2, Run I - Predicted and experimental effluent biomass concentration
profiles...............................................................................................................37
viii
LIST OF FIGURES - continued
Figure
Page
15. Case 2, Run I - Predicted and experimental effluent TOC
profiles...............................................................................................................37
16. Case 2, Run I - Predicted biofilm thickness at steady
state....................................................................................................................38
17. Case 2, Run I - Predicted detachment velocity profiles:..................................38
18. Case 2, Run 2 - Experimental flow rate............................................................39
19. Case 2, Run 2 - Predicted and experimental effluent
glucose concentration profiles...........................................................................39
20. Case 2, Run 2 - Predicted and experimental effluent
biomass concentration profiles..........................................................................40
21. Case 2, Run 2 - Predicted and experimental effluent
TOC profiles......................................................................................................40
22. Case 2, Run 2 - Predicted biofilm thickness at steady
state...............................................................................................
41
23. Case 2, Run 2 - Predicted detachment velocity profiles....................................41
24. Case 3, Run I - Concentration profiles of toluene,
oxygen and intermediates in the biofilm over ports 2, 5
and 8..............................................................
42
25. Case 3, Run I - Volume fraction profiles of X++, X+'
and X" phenotypes in the biofilm over ports 2, 5 and 8 .................................,...43
26. Case 3, Run 2 - Concentration profiles of toluene,
oxygen and intermediates in the biofilm over ports 2, 5
and 8.......................
44
27. Case 3, Run 2 - Volume fraction profiles OfX4+, X+"
and X" phenotypes in the biofilm over ports 2, 5 and 8 .................................... 45
28. Case 4, Run I - Predicted and experimental vapor phase
toluene concentration profiles.......................
46
LIST OF FIGURES - continued
Figure
Page
29. Case 4, Run I - Predicted and experimental toluene degradation rate.............46
30. Case 4, Run I - Concentration profiles of toluene,
oxygen and intermediates in the biofilm at day 50................................. •'.........47
31. Case 4, Run I - Volume fraction profiles O f X 4+, X+"
and X" phenotypes in the biofilm at day 5 0 .............................................. ........48
32. Case 4, Run 2 - Predicted and experimental vapor
phase toluene concentration profiles............................................
49
33. Case 4, Run 2 - Predicted and experimental toluene
degradation rate..................................................................................................49
34. Case 4, Run 2 - Concentration profiles of toluene,
oxygen and intermediates in the biofilm at day 50........................................... 50
35. Case 4, Run 2 - Volume fraction profiles of X4+, X+"
and X" phenotypes in the biofilm at day 5 0 ...................................................... 51
36. Simulation-experimentation framework outline................................................57
ABSTRACT
Rinfilms are ubiquitously present in many natural and manmade porous media
systems. Natural and engineered biofilm systems are important to bioremediation and
biofiltration and include both one-fluid-phase flow and two-fluid-phase flow systems.
Complex interactions exist between net biomass accumulation, porous media
charactersistics, and the rates of biofilm/biological processes. This complexity requires a
systematic approach to analyzing experimental results. The dynamic behavior of biofilms
in porous media is encapsulated in the rates of the biofilm/biological processes
contributing to net biomass accumulation. The key to understanding and predicting
biofilm/biological processes in porous media is modeling. The goal of this research is to
evaluate a biofilm process model in porous media systems for the prediction of
experimental results.
Most porous media biofilm models in the literature pertaining to both one-fluidphase and two-fluid-phase flow porous media systems utilize insufficient biofilm models.
The mixed-culture biofilm model (MCB) overcomes many limitations of the former.
Combining the MCB model with the appropriate reactor transport models give a porous
media biofilm reactor model that has the capability to simulating many types of porous
media biofilm systems. Experimental data from four separate systems, including two
one-fluid-phase and two two-fluid-phase, were analyzed in order to evaluate the MCB
model coupled with the appropriate reactor transport model.
Predicted results from the model for which experimental data exists give a good
fit. However, the model can predict more than what is available experimentally;
therefore, a full evaluation of model capabilities is not possible at this time. A
simulation-experimentation framework which can elucidate necessary experimental data
for further model evaluation is provided.
I
INTRODUCTION
Relevance of Riofilms in Porous Media
Biofilms are ubiquitously present in many natural and manmade porous media
systems. Rittmann maintains that “[biofilms] play crucial roles in the biodegradation of
contaminants and the clogging of porous media ...” [8] Many natural and engineered biofilm
systems utilize porous media as a support for biofilm formation. Natural biofilms in
subsurface porous media formations can be used in the field of bioremediation in order to
degrade contaminants. Engineered biofilm systems can be used in industrial processes such
as biofiltration and drinking water treatment. Together, these examples constitute two types
of porous media systems: one-fluid-phase and two-fluid-phase. The two primary
measureable activities of importance in porous media biofilm systems are biomass
accumulation and biotransformation.
Complexity of Biofilms and Biofilm/Biological Processes in Porous Media
The complexity of biofilms and biofilm processes in porous media stems from the
relationship between net biomass accumulation, changes in porous media characteristics, and
rates of biofilm/biological processes. Figure I summarizes the complexity of biofilms in
porous media systems.
2
Net biomass
accumulation
©
Porous media
characteristics
Biofilm/biological
process rates
Figure I. Complexity of biofilms in porous media.
One level of complexity of biofilms in porous media, shown as relationship I in
Figure I, is the effect of biomass accumulation on the characteristic properties of a porous
medium, such as porosity, permeability, and dispersivity. These effects have been quantified
by Taylor, Milly, and Jaffe: increasing biomass accumulation in a porous medium will
decrease the porosity and permeability, and increase the dispersivity. [12] Conversely, a
second level of complexity, shown as relationship 2 in Figure I, relates the changes in porous
medium characteristics to the transport of substrates to the biofilm. Again, this has been
quantified and understood to some extent through computational fluid dynamics. The third
level of complexity, shown by relationship 3, explains how the rates of biofilm/biological
processes, which depend on the transport of substrates and biomass, contribute to net biomass
accumulation. The complexity of this relationship depends on the large variety of potential
biological reactions. Rittmann says that the net accumulation of biomass is controlled by 4
biofilm/biological processes: growth and decay (biological), and deposition and detachment
(biofilm). [8] The issue of biofilm/biological process complexity becomes very important
3
when multispecies biofilms are considered. Biological processes of growth alone need to be
considered for m bacterial species utilizing n substrates, the totality of which contributes to
net biomass accumulation. One final consideration is that the effect of net biomass
accumulation on transport depends on the ratio of overall biofilm thickness to pore volumes.
For email ratios that are usually seen for packed beds, the effect on transport will be minimal.
However, for sand packed systems, the effect may be significant.
Relevance of Modeling Biofilm/Biological Processes in Porous Media
The dynamic behavior of biofilms in porous media is encapsulated in the rates of all
pertinent biofilm/biological processes contributing to net biomass accumulation. Little work .
has been done with respect to modeling biofilm processes complexity other than the work
done by Wanner, Guyer and Reichert [9,10,11,15]. Applications of complex biofilm models
to porous media biofilm systems has been sparse. Therefore, the key to quantifying and
understanding biofilms in porous media systems to effectively utilize biofilms is modeling
the biofilm/biological processes. The potential complexity of the problem requires a
systematic approach to analyzing experimental data. The modeling process gives a
framework in which educated decisions can be made about both the experimental design and
results and the accuracy of the simulations. As a result, the capability to predict
biotransformation and biomass accumulation in a porous media will allow for better
understanding, control, and design of porous media biofilm systems.
Additionally, regulatory acceptance of a biofilm process used to degrade or transform
contaminants is hindered by a lack of understanding On the part of the regulators. Successful
4
modeling and simulation of biofilms and biofilm processes in porous media may speed
acceptance of biofilm processes in industrial applications.
Porous Media Biofilm Reactor Models
In the literature there is a definite distinction between one-fluid-phase and two-fluidphase models for porous media biofilm systems. Generally, one-fluid-phase models are
found in the porous media groundwater modeling literature while two-fluid-phase models are
located in the biofilter modeling literature.
Porous Media Groundwater Biofilm Models
Much work was done by Taylor, Milly, and Jaffe [12] to measure and quantify the
effect of biofilm growth on the physical properties of a porous medium, which include
porosity, permeability, and dispersivity. The strong effort of their biofilm porous media
model was to describe transport of biomass and substrates. [13] The biofilm in their model
was described by a single Monod growth expression. However, they do acknowledge that
more complex kinetics could be incorporated into their model. Baveye and Valocchi [2]
provide an evaluation of three different representations of spatial distributions of biomass
within a porous medium. Their biofilm is described by a single Monod growth expression.
While both of these papers discuss methods to model changes in porous media characteristics
due to biomass accumulation, neither provides an evaluation of the importance of the rates at
which the processes of biofilm growth and substrate utilization take place. These processes
define the dynamic behavior of porous media biofilm systems.
<
5
Biofilter Models
Recently, Deshusses, Hamer, and Dunn [3] offered a biofilter model for waste air
treatment. Their description of a biofilter included gas and biofilm phases as well as a
sorption volume. The biofilm was modeled as a homogeneous, monoculture system. Monod
kinetics are used to describe growth and degradation kinetics, but the biofilm is assumed to
be at steady state and the degraders are assumed to be evenly distributed throughout the
biofilm. Diks and Ottengraf [4] created a model to describe the degradation of
dichloromethane in a trickling filter. Their assumptions included steady state thickness, zero
order kinetics, and constant volume fraction of the degraders in the biofilm. Baltzis and
Shareefdeen [1] give a model for a packed-bed biofilter. The biofilm is modeled as an
effective biolayer. More complex kinetics, such as substrate competition, are considered, but
only one bacterial species is considered. The drawback to each of these biofilm models is the
usage of oversimplified biofilm models, especially when there may be more biological
processes than degradation/growth that can affect biofilter degradation performance. Biofilm
thickness, volume fraction of cells, and kinetics are not always constant. These models lack
the flexibility to describe more complex biofilm processes.
The Extended Mixed-Culture Biofilm Model
Most current groundwater porous media models are of the advection-dispersionreaction or advection-reaction type. Some models consider the biofilm to be a “sink” for
given substrates while others estimate fluxes into the biofilm using Monod expressions and
biofilm thicknesses. Biofilter models utilize more complex biofilm models than do the
groundwater models, but most still lack the flexibility to consider many important
biological/biofilm processes. The potential complexity of biofilm processes, including
detachment, multiculture and multisubstrate biofilms requires a flexible, dynamic biofilm
model. The important issue is not only the relationship between biofilm thickness, porous
media characteristics, and transport, but also how the rates of biofilm/biological processes are
dynamically integrated into the behavior of biofilms in porous media systems.
The most recent biofilm model capable of modeling multiculture, multisubstrate
biofilms is the mathematical mixed-culture one-dimensional biofilm (MCB) model discussed
by Wanner and Reichert [15]: .
Basically, the MCB model consists of a set of one-dimensional mass balance
equations by which the progression of the biofilm thickness and the spatial
distribution and development in time of various dissolved components (nutrients,
electron donors, and electron acceptors) and particulate components (microbial cells,
extracellular polymeric substances, organic and inorganic particles) in a biofilm can
be modeled as a function of transport and transformation processes. These mass
balance equations are generally valid and can be applied to almost any microbial
system if the appropriate stoichiometry and kinetics are provided.
Coupled with the appropriate reactor transport models, the resulting porous media biofilm
reactor model has the capability to simulate a large variety of experimental geometries and
biofilm/biological processes.
Research Goal
The goal of this research is to evaluate the capability of the extended mixed-culture
biofilm process model for modeling porous media biofilm processes in porous media systems
for prediction of experimental results. The objectives required to reach this goal are:
O Evaluate the mixed-culture biofilm (MCB) model with the appropriate reactor
transport model as a complete porous media biofilm process model with
I
experimental data from both one-fluid-phase flow and two-fluid-phase flow
porous media reactors.
o Determine the limit of behavioral complexity of biofilm/biological processes in
porous media reactors that can be modeled with the extended mixed-culture
biofilm process model.
8
MODELING
There are three parts to the porous media biofilm reactor model to be analyzed
herein: reactor, biofilm and biological processes. The reactor part of the model is either
a one-fluid-phase or two-fluid-phase reactor. The biofilm is represented by the mixedculture biofilm (MCB) model which can consider an arbitrary number of bacterial and
substrate species. Figure 2 shows the conceptual model for the integration of the MCB
and reactor models for both one-fluid-phase and two-fluid-phase porous media biofilm
reactors. Biological processes can occur in the biofilm, bulk liquid, and bulk gas phases,
and area described via appropriate kinetics and stoichiometry.
Bulk liquid-biofilm
Interface
Bulk gas-bulk liquid
Interface
L
tA
/
/
/
/
/
/
/
/
/
/
/
/
C ctDi
C itDi
CptDi
CptPi
;
c LPi
—
A LF
Vf
PPi
Epi
Lf
y
B u lk G as
FL, B ulk L iq u id
Biofilm
—
;
-- > J g
A GL /
>
A ........K1' ..........
Vg
i
Ql
Qg
CcOtDi
:
ClOtDi
C u tPi
Bulk Liquid
Boundary Layer
Bulk Gas
Boundary Layer
&
&
Figure 2. Conceptual model of integrated biofilm and reactor models.
9
One-fluid-phase Flow Porous Media Reactor
Mass transport is described by a one-dimensional advection-diffusion equation.
The reactor is divided into axial segments, and bulk liquid and biofilm sections are
distinguished. The bulk liquid phase is well mixed. The mass balance equation for
dissolved and particulate components in the bulk phase, respectively, are
3
b
"o
Il
'i i p
LO1Di
L {c LO1Pi
- Q
dt
C
~
l iDi
) + j ^ L F J LF 1Di + ^ L r Di
C L 1P i )
+ A
lf
J L F 1Pi + ^ L r Pi
(I)
(2)
where Clo is the segment influent concentration (ML'3), Cl is the bulk liquid
concentration (ML3) J l is the mass flux per unit interfacial area across the biofilm-bulk
liquid interface (ML2Lx), r is the net production rate (ML3Lx) , Vl is the bulk liquid
volume (I?), Ql is the liquid volumetric flow rate (L3Lx), Alf is the biofilm surface area
(L2) of the segment, and t is time. The interfacial mass flux of dissolved and particulate
components per unit biofilm surface area is given by
— cD L tD i i p FL,Di ~ ^ L ,D i)
J
l iPi ^
L
—
c^ L 1P i i p F L 1Pi ~ ^ L 1P i )
^
^
where Xl is the mass transfer resistance coefficient (L), <Dl is the effective diffusivity
(L1Lx) of the dissolved or particulate species in the liquid phase, and Cfl is the
concentration (ML3) at the biofilm-bulk liquid interface. The bulk fluid volume, Vl is
related to the total segment volume and total biofilm volume by
10
(5)
where Vc is the total volume of the segment, and P> is the biofilm volume.
Two-fluid phase Flow Porous Media Reactor
Mass transport is described by one-dimensional advection-diffiision equation.
The reactor is divided into axial segments. Bulk gas, bulk liquid and biofilm sections are
distinguished. The bulk gas and bulk liquid phases are well mixed. The mass balance
equation for dissolved and particulate components, respectively, in the bulk liquid is
= Ql ( c L0 Di —CLDi j + ALFj LDi - A glJ g Dj + VLrDi
(6)
where Clo is the segment influent liquid phase concentrations (ML'3), Cl is the bulk liquid
concentrations (MU3) J l is the mass flux per unit interfacial area across the biofilm-bulk
liquid interface (MU2f x), r is the net production rate (ML"3/'1), Vl is the bulk liquid
volume (£3), Ql is the liquid volumetric flow rate (I? fx), A lf is the biofilm surface area
(I?) of the segment, A ql is the bulk gas-bulk liquid interfacial area (I?), and t is time.
The mass balance equation for dissolved components in the bulk gas is
A
- Qa (Cmjll - Ca a ) + AaJ a a
( 8)
where Cgo is the segement influent gas phase concentration (MU3), Co is the bulk gas
concentration (MU3), Vq is the bulk gas volume (Ju ) J g is the mass flux per unit
interfacial area across the bulk gas-bulk liquid interface (MU2Q), Qg is the gas
11
volumetric flow rate (XY1). The biofilm-bulk liquid interfacial mass flux of dissolved
and particulate components, respectively, is
(9)
J ltDl^L ~ ®L3Di \pFL,Di ^L,Di
( 10)
JL,Pi^L ~ cDL,Pi{pFLyPi ~ ^LyPij
where Zl is the mass transfer resistance coefficient (L) across the biofilm-bulk liquid
interface, (Dl is the effective diffusivity ( lY 1) of the dissolved or particulate species in the
liquid phase, and Cfl is the concentration (ML'3) at the biofilm-bulk liquid interface. The
bulk gas-bulk liquid interfacial mass flux of dissolved components is
J LyDi^O
'GyDi
Y,
c GyDi
/Zn, /
(H)
where Zq is the mass transfer resistance coefficient (L) across the bulk gas-bulk liquid
interface, ®Gis the gas phase molecular diffusivity (Z2Z1)5and H is the dimensionless
Henry’s Law coefficient. The bulk liquid volume is given by
where Vc is the total volume allowable for biofilm growth in the segment, and Vf is the
biofilm volume. The bulk gas volume, Vq, is constant,
Biofilm
Equations (13)-(26) constitute the MCB model [15] with the one exception that
the presented formulation assumes that the volume fraction of water in the biofilm does
not change in time or space.
The porous media provides support for biofilm growth. The formation of biofilm on the
surface of the porous media is described by a one-dimensional mass balance equation for
biomass
F 1Pi
' F 1Pi
dt
dy
+ r Pi
(13)
where Cp1Pi is the concentration (ML"3) of particulate i in the biofilm, z is the distance (L)
perpendicular to the solid surface, and JpiPi is mass flux (MU3T1) of particulate i in the
biofilm in they direction. Biofilm mass flux results from biofilm growth in the biofilm
interior and is given as
J p iPi
u F ^ F 1Pi
-
where uFis the advective velocity (Lf1) of the biofilm matrix due to growth. This
velocity is calculated as
where si is the volume fraction of the liquid phase in the biofilm and ppt is the specific
density (MU3) of particulate i. The relationship between density and concentration is
given by
C p iPi
=
P p i e Pi
where Spi is the volume fraction of particulate i in the biofilm. The boundary conditions
are
JF, P
i^
= 0
at the biofilm-substratum interface and
( 1 ? )
13
( 18)
JptPi \y=LF = JLtPi
at the biofilm-bulk liquid interface, where J f and J l are the interfacial mass fluxes
(ML'2/'1) of particulate i in the biofilm and bulk liquid phases, respectively, and Lp is the
biofilm thickness. The mass flux_/> is given by
uJeCptPj UatCPLtPi
JptPi y-LF
(19)
where Uje is the velocity (L f i) at which biomass is detaching from the biofilm and into
the bulk liquid and ual is the velocity (Lf1) at which biomass is attaching to the biofilm
from the bulk liquid. Progression of the biofilm thickness is modeled by
dLp
(20)
UF\y=LF- Ude + Ual
Dissolved components in the biofilm are modeled by the one-dimensional mass balance
equation
d ( siCF Di)
d j FtDi
rDi
(21)
The mass flux is given by
JFtDi ~ Up(J
<9CFtDi
£l)CptDi f 1DLtDi '
(22)
w here/is the ratio of diffusivity in the biofilm versus diffusivity in the bulk liquid. The
boundary conditions are
J FtDi\y=0 = 0
C p tDi IiV=Ly?
~~ C
JptDi ~ J LtDi
(23)
F i >D,
(24)
(25)
14
with the interfacial mass flux of dissolved component i at the biofilm side of the biofilmbulk liquid interface given as
F jDi
J p jDi
—
UF
(l
s I ^ F jDi
(26)
L jDi
y=LF
Biological Reactions
The bacteria utilize an electron donor and an electron acceptor to produce
biomass. Biomass is considered as cellular mass and extra polymeric substance (eps).
The rate of production of biomass is modeled by either double Monod kinetics or
Haldane kinetics which includes inhibition of the overall rate due to electron donor
concentration:
Cr
Cj
(27)
rX
Cj
-X
Cl K j +C j
where
is the rate of production
JUmax
(28)
is the maxim specific growth rate ( t !),
Cd and Ca are the concentrations (ML'3) of the electron donor and electron acceptor,
respectively, K d and Ka and the half-saturation constants (ML'3) for the electron donor
and electron acceptor, respectively, X is the concentration (ML'3) of biomass, and Ki is the
inhibition constant (ML'3) with respect to the electron donor. The utilization rates of the
electron donor and electron acceptor are given by
15
~ rx
(29)
^XlD
and
~ rx
(30)
^XlA
where rx is the production (growth) of biomass (MZ/V1), r# and
are the utilization rates
(MU3Tx) of the electron donor and the electron acceptor, Yx/d and Yx/a are the observed
yield coefficients for biomass with respect to the electron donor and electron acceptor,
respectively.
Biological Process Stoichiometry Matrices
Since biological reactions can be more involved than the growth of one species
utilizing an electron acceptor and electron donor, a more concise method of describing
processes is by a process matrix. The biological process stoichiometry matrix can
describe the generation (+) or consumption (-) for all species. The rate of generation or
consumption for a given species by a specific processes is determined by multiplying the
coefficient for that species/process combination inside the matrix by the rate expression
Table I . Biological process stoichiometry matrix for general growth
processes.________ ____________________________ ___
PROCESSES
Haldane Kinetics
Double Monod Growth
SPECIES
+ 1
X
+ 1
D
-I/Yx/d
-1 /Y
x /d
A
-1 /Y x /A
-1 /Y
x /a
R a te
e x p re ssio n
A ""
Co
c,
JC0 + C d K a + C 1
.
C*
,
^
%
16
for that process given at the bottom of the matrix. Table I shows the biological process
stoichiometry matrix representing equations (27)-(30).
17
EXPERIMENTAL SYSTEMS
Experimental data from four separate cases, two one-fluid-phase and two two-fluidphase, were used to evaluate the previously described porous media biofilm model. The
experimental systems for Case I and Case 2 were designed in order to determine attachment
and detachment rate functionalities in one-fluid-phase porous media reactors. The
experimental systems of Case 3 and Case 4 were designed to determine the peformance of
toluene degradation in a vapor phase bioreactor (a two-fluid-phase reactor). Following are
synopses of the experiments.
One-fluid-phase Flow Porous Media Reactor Experiments
Case I - Microbial transport experiment
Case I was a porous media microbial transport study done at Washington State
University by David Jennings. [5] Experiments were performed to determine the
detachment and attachment rate of an unspecified denitrifying bacteria isolated from Hanford.
The experimental reactor was a 50 cm by 2.1 cm column packed with sand particles having
an average diameter of 190 pm. Data were obtained for three growth rate levels, denoted as
low, middle, and high, of the acetate and nitrate substrates. Only the middle growth rate level
was analyzed. Measured quantities include pressure drop, and influent and effluent
concentration of substrates and biomass. An attempt was made to determine the spatial
distribution of biomass within the column at the end of the experiment.
18
Case 2 - Biofilm detachment experiment
Case 2 was a porous media biofilm detachment experiment performed at Montana
State University by Al Cunningham, Paul Stoodley, and Shanon Bakich. The goal of this
experiment was to determine the detachment rate of Pseudomonas aeruginosa in a small
sand-packed rectangular column (1.0 cm by 1.2 cm by 4.5 cm). The substrates were glucose
and oxygen. The average particle diameter was 190 pm. An assumption was made that
attachment could be neglected because of the short length of the column. Data were obtained
for two glucose concentration levels, 6.7 and 13.5 mg glucose/L, denoted as Run I and Run
2. Measured quantities include influent and effluent glucose, biomass, TOC, and flow rate.
Confocal microscopy was used to noninvasively image biofilm accumulation in the porous
media. This experiment is explained in greater detail in Appendix A.
Two-fluid-phase Flow Porous Media Reactor Experiments
Case 3 - Flat plate VPBR experiment
The experimental system for Case 3 was a flat plate vapor phase bioreactor (VPBR).
The goal of the experiment was to predict vapor phase toluene concentration and toluene
degradation rate. A flat plate reactor allows for the system to be modeled with a known
geometry: a surface area of 50 cm x 4 cm or 200 cm2, and a volume of 50 cm x 4 cm x 4 cm
or 800 cm3. The unique aspect of this experiment was the utilization of phenotypic
transformation rates of P. putida 54G. There are three phenotypes present: wild type,
reversibly injured, and irreversibly injured. The wild type cells degrade toluene. The
irreversibly injured cells are injured by toluene and can no longer grow on any substrate. The
19
reversibly injured cells can no longer utilize toluene, but have the capability to utilize
intermediates from the partial degradation of toluene and from lysis products generated via
death and endogenous decay. The characterization of phenotypes and phenotypic
transformation rates was done by Mirpuri [6]. Figure 3 is a schematic of the experimental
system. Sampling ports are numbered from I at the gas influent to 9 at the gas effluent.
Measured parameters include vapor phase toluene concentration at the influent and effluent
as well as at ports 2, 5 and 8. Two experimental runs with influent toluene concentrations of
150 and 770 ppm were performed, denoted as Run I and Run 2, respectively. Experimental
methods and data are in Mirpuri, 1995 [6]
Flow
controller
G as In
M icrosensor
Sample Ports
G as Out
n n n n n n n n n
Humidifier
0.2 pm
filter
Flow
controller
-3
Effluent
sam pling
well
G lass plate
to enable
viewing with
Toluene
Figure 3. Diagram of experimental setup for the flate plate VPBR. [6]
Liquid
20
Case 4 - Bench-scale VPBR experiment
Case 4 is identical to Case 3 except the biofilm was grown in a packed column with
0.25 in. ceramic ring packing material. Vapor phase toluene concentration profiles were
obtained for two experimental runs with influent toluene concentrations of 150 and 750 ppm,
denoted as Run I and Run 2. Figure 3 shows a diagram of the experimental system.
Experimental methods and data are in Mirpuri, 1995 [6]
Effluent G as
Sam pling Port
H ouse
Air
Effluent
-----I r hI
G as to
n
^
Flow Meter
fi)
Liquid Media
Influent
O a s Z
Sam pling
Ports x
Control
Valve
Toluene
» M
-1/4" Ceram ic
R asch ig R ings
,
Control
Valve
Influent G as
Sam pling Port
0 H
Humidifier
®—^
Liquid
Sam pling
Port
G as Mixer
Figure 4. Diagram of experimental setup for the bench scale VPBR. [6]
Liquid
Effluent
to W aste
21
SIMULATION
Aquasim
Simulations were performed with Aquasim, a software package for the simulation
of aquatic systems [9,10,11] which contains an implementation of the extended mixedculture biofilm (MCB) model. Aquasim is capable of simulating a wide variety of
aquatic systems. The basis for modeling reactors and reactor systems in Aquasim are
mixed fluid compartments and mixed biofilm compartments. A reactor or reactor system
can be defined by a combination of any number of either type of compartment connected
via advective or diffusive links. With respect to the porous media biofilm reactor
conceptual model, mixed fluid compartments represent the bulk gas phase and mixed
biofilm reactors represent the bulk liquid and biofilm phases. Biological processes are
user defined dynamic processes and affect the concentrations of dissolved and particulate
species. The Aquasim data files for each case are in Appendix C.
One-fluid-phase Flow Porous Media Reactor Simulations - Case I and Case 2
For Case I, the porous media column was defined by a configuration of ten
equally sized mixed biofilm compartments. In Case 2, the porous media column was
modeled as a series of I mixed biofilm reactors: the first 5 sections were 0.5 cm in length
and the remaining 2 sections, were 1.0 cm in length. Each case had one bacterial species
present and an electron acceptor and electron donor. Case I consisted of an unspecified
22
denitrifyer, acetate, and nitrate, respectively. Likewise, for Case 2, the combination was
Pseudomonas aeruginosa, glucose and oxygen. For the purposes of simulation, the
surface area available for biofilm growth was estimated from the following relationship,
Aw
,0.152£>J
where/f w is the specific surface area per unit volume (m2 m"3) and Dp is the porous media
particle diameter (m). The appropriate biological process stoichiometry matrix for these
experiments is shown in Table 2. X, D and A represent biomass, electron donor and
electron acceptor, respectively. Likewise, Ksd, Ksa,Yx/d and Yx/a are the Monod half­
saturation constants and yield coefficients for both the electron donor and electron
acceptor, respectively. Tables 3 and 4 give the parameters values for each case. All
parameters are from the experimental data or literature unless otherwise noted.
Table 2. Process matrix for cases I and 2.
PROCESS
Growth
SPECIES
X
D
A
Rate
expression
+1
f
zw I
-1 /Y
x/d
-1 /Y
xza
D Y
tty
^
Ir
23
Table 3. Summary of parameters for Case I .
Physical Parameters
Description
Value
Units
7.61E -05
0.00288
5.9965
5E-06
1.071E-04
1.469E-04
1.0E-4
0.8
4.068
0.2558
3.54E + 05
m3
m 3d 1
m2
m
m2 d 1
m2 d 1
m2d 1
gC m3
gN m 3
KCm3
Description
Value
Units
M axim um specific grow th rate (Pmax) [7]
A verage density o f biom ass (p x)
M ass yield o f biom ass per unit nitrate (electron acceptor) (Y xw)
1.8
4 0,000
0.353
d'
gC m
g C -biom ass
/ g N -nitrate
g C -acetate
/ g N -nitrate
d '1
R eactor bulk fluid volum e (V c)
Flow rate (Q )
T otal biofilm surface area (A uf)
L iquid boundary layer thickness (X)
D iffusivity o f acetate in w ater (D a)
D iffusivity o f nitrate in w ater (D n)
D iffusivity o f biom ass in w ater (D x)
D iffiisivity o f biofilm / diffiisivity in w ater (f)
H alf-saturation constant for acetate (electron donor) (K sa ) [7]
H alf-saturation constant for nitrate (electron acceptor) (K sn) [7]
D ensity o f biom ass
Kinetic Parameters
[7]
Stoichiom etric utilization o f nitrate to acetate (electron donor)
1.585
(Y xza) [7]
A ttachm ent coefficient (K a)
80
Table 4. Summary of parameters for Case 2.
Physical Parameters
Description
R eactor bulk fluid volum e (Vc)
Flow rate (Q)
Biofilm surface area (A l f )
M ass transfer resistance coefficient (X)
G lucose diffiisivity (D g|u)
D issolved oxygen diffiisivity (D qz)
B iom ass diffiisivity in w ater (D x)
D iffiisivity in biofilm / diffiisivity in pure w ater
V olum e fraction o f biom ass (es )
B iom ass density (p x)
(f)
Value
Units
5.4E-06
Figs. 1 2 ,1 8
0.189
5E-06
5.18E-05
1.56E-04
0.0001
0.1
2.5E+04
m3
m3d"1
m2
m
m2 d '1
m2 d 1
m2d 1
gC m "3
Value
Units
9.0
0.80
0.20
0.66
1.1
d '1
gCm 3
g 0 2m 3
g C x / g Cgiu
K C 02 / g C c|„
0.8
Kinetic Parameters
Description
M axim um specific grow th rate (p max)
G lucose half-saturation constant (K s)
O xygen half-saturation constant (K 0)
B iom ass yield on glucose (Y xzo)
S toichiom etric factor for oxygen yield (k)
Detachment is considered to be only growth related; therefore, the detachment
velocity is modeled as a fraction of the growth velocity. The parameter Ctje represents the
fraction of the growth velocity of the biofilm that is detached. The product of biofilm
growth velocity and
gives the detachment velocity, «<&,. This allows modeling of
biomass detachment without having to know the explicit functionality of detachment on
other parameters, such as pressure drop, growth rate, and biofilm thickness. When Cije is
1.0 , all biofilm growth is detached and a steady state biofilm thickness is forced only if
there is not attachment.
The approach to evaluating the model was to fit the measured time series of
effluent electron acceptor, electron donor, and biomass concentrations and a profile for
biofilm thickness at the end of the experiment by only changing the time-series values of
CldeTwo-fluid-phase Flow Porous Media Reactor Simulations - Case 3 and Case 4
The flate plate vapor phase bioreactor (VPBR) was modeled as a series of 9
equally-sized mixed biofilm reactors representing the biofilm and bulk liquid phases
diffusively linked to 9 equally-sized mixed reactors representing the bulk gas phase. The
bench-scale VPBR was modeled as a series of 4 equally sized mixed biofilm reactors
diffusively linked to 4 equally-sized mixed reactors. The bulk liquid and bulk gas phases
flow countercurrently. The specific surface area of the packing for Case 4 was estimated
at 500 m2 m'3. The three bacterial phenotypes (wild type, reversibly injured and
irreversibly injured) o f Pseudomonas putida 54G and three substrates (toluene, oxygen,
and intermediate products) were considered. Table 5 shows the biological process
matrix used for the biofilter systems. The three phenotypes are represented by X h", Xf',
and X", respectively. Table 6 contains the model parameter values for Case 3 and Case 4.
All model parameters except those in bold were determined or estimated independently.
An arbitrary detachment rate equal to 10% of the growth velocity was introduced to
promote calculation of steady state biofilm thicknesses.
The approach to evaluating these cases was to apply the experimental influents
(flow rates and concentrations) to the model and compare the predicted and experimental
toluene vapor phase concentration profiles. A qualitative analysis of the bacterial
phenotypic profiles was also made.
Table 5. Biological process stoichometry matrix for Cases 3 and 4.
PROCESSES
SPECIES
Growth of X h"
Injury
Variant
Formation
+X ^
-X ~
-X ^
Growth of X
Endogenous
Decay
Death
-X++
-X++
-X+
+X
-X
-X
-X/Yo
-XArI
-(X+++X)/Yob
+^u,(X+++X)
+fcells(X+++
+X ^
X+-
+X ^
X"
T
O
I
-X hTYt
-X++/Yo
+L,(X^/YT)
X+'+X)
Rate
expression
f
T
Y
O '
^ K K s j +T +T2I k X ksO+0J
Kinj
Kgl
, f
Mman^
i Y
o )
z + / J i 1Ks0 + Oj
6 f
^ I
x \K s0 + o)
dx
27
Table 6. Summary of parameters for Case 3 and Case 4. Physical parameters vary for the
experimental setup. Kinetic parameters vary for influent toluene concentration.
Parameters in bold represent coefficients adjusted to obtain the best fit to total toluene
degradation.
Physical parameters
Units
Case 4
Case 3
Description
Total gas volum e (V 0)
L iquid flow rate (Q l )
G as flow rate (Q g)
Total liquid volum e (V u)
Total reactor volum e (V)
Total surface area (A )
T otal gas-liquid interfacial area (A g l)
T otal gas-liquid interface thickness (Xg )
Liquid-biofilm interface thickness (Xl )
L iquid phase diffusivity o f toluene
L iquid phase diffusivity o f oxygen
G as phase diffusivity o f toluene
G as phase diffusivity o f oxygen
H enry’s law constant for toluene (H t )
H enry’s law constant for oxygen (H 0)
D iffusivity in biofilm / diffusivity in w ater (f)
V olum e fraction o f biom ass (e)
7.20E-04
0.00144
0.072
8.00E-05
8.00E-04
0.02
0.02
Kinetic parameters
150 ppm
M axim um specific grow th rate (P max)
T oluene half-saturation constant (K st )
O xygen half-saturation constant (K s0)
Inhibition constant (K,)
Y ield o f biom ass on toluene (Y t )
Y ield o f biom ass on oxygen (Y 0)
E ndogenous yield on oxygen (Y ob)
Injury rate (K inj)
Irreversible injury rate (Kg l )
M axim um specific grow th rate for X" cells
750 ppm
Units
10.08
3.98
0.025
42.78
day"1
gm3
g m "3
gm3
0.86
g /g
g /g
g /g
day 1
day 1
day 1
0.55
0.55
0.06783
0 .00655
0.42696
0.06551
5.0
(P 1max)
Interm ediates half-saturation constant (K s1)
Y ield o f biom ass on interm ediates (Y 1)
Fraction o f toluene incom pletely degraded (flol)
Fraction o f biom ass converted to interm ediates
via deathZdecay (fccll!i)
Endogenous decay rate (bx)
Death raWdy)
m3
m3 d"1
m 3 d"1
m3
m3
m2
m2
m
m
m2 d 1
m2 d 1
m2 d 1
m2 d 1
g m 3Zg m 3
g m 3Zg m 3
gm3
1.00E-05
2.50E-05
6.89E-05
2.16E -04
0.72
1.54
0.19
43.0
0.8
0.08
5.00E+04
Density of biomass(px)
Description
1.90E-03
0.00288
1.44
1.04E-03
5.00E-03
2.6
2.6
gm 3
2.0
0.5
0.2
0.2
0.65
0.10
g /g
1.5
0.5
day 1
28
RESULTS
Case I
Simulation results were obtained for the middle substrate loading case. Several
iterations were required to obtain meaningful results. Only the results from the final iteration
are given.
Figures 5 ,6 ,7 and 8 show the predicted versus experimental values for the three time
series and one spatial series of interest. The experimental and calculated effluent substrate
profiles were in good .agreement. The calculated effluent biomass profile is relatively close
to the experimental values, considering the low value of measured effluent biomass.
However, the calculated biofilm thickness profile in the column at the end of the experiment
does not agree with the experimental values.
Figures 9,10,11 and 12 show additional model output used to evaluate the
detachment rate of the biomass. Figure 9 shows the detachment velocity of the biofilm in
each compartment with time. The detachment velocity is directly proportional to the amount
of biomass detaching from the biofilm. Note how the detachment velocity increases and then
decreases over the length of the simulation. At the end of the simulation, the only
compartment detaching biomass is the first compartment of the column. Figure 10 is a plot of
the attachment velocity of biomass in each compartment. The attachment velocity is directly
proportional to the amount of biomass being attached. Note how the attachment rate
decreased down the length of the column. Figure 11 shows the calculated biofilm thickness of
29
each biofilm compartment with time. Note
how it seems that none of the biofilm
thickness profiles has reached a steady-state
Table 7. Time series Oge values for Case I.
time fd
3de
0.3
4
1.0
10
1.0
21
value by the end of the simulation. Table 7
shows the time series values used for aje, the fraction of the growth velocity that is detached.
Note that the value of Bde is 1.0 past day ten, meaning that all new growth is detached from
the biofilm.
Case 2
Figures 12-17 show the experimental and calculated time series of glucose, TOC,
effluent biomass and biofilm thickness for Run I . Figures 18-23 show that same information
for Run 2. Figures 12 and 18 show the recorded flow rate for each experiment. Figures 13
and 19 show the experimental influent and the experimental and calculated effluent glucose
concentrations. Linearly interpolated values were used for both flow rate and influent
glucose concentration as input to the simulation. Figures 14 and 20 show the experimental
effluent biomass compared to the calculated effluent biomass. The experimental biomass
concentration was obtained by subtracting the experimental effluent glucose from the
experimental TOC. Figures 15 and 21 show the experimental and calculated concentration of
TOC. The calculated TOC is the sum of the carbon from both glucose and biomass. Figures
16 and 22 show the calculated biofilm thickness profile in the columns. Figures 17 and 23
show the resulting detachment velocity profile along the column.
Table 7 shows the time
series values of Ude used for each run to obtain simultaneous fits to the experimental data.
30
Table 8. Time series a^e values for Case 2.
Run I
time [d
time [d
a<ie
1.0
0.3
0.0
4.3
1.0
1.0
10
1.0
18
Run 2
<*de
0.4
1.0
1.0
Case 3
Table 9 shows a comparison of toluene degradation profiles experimentally
determined in the fiat plate VPBR and calculated results for both 150 ppm and 770 ppm
influent toluene concentrations. The simulation results match the experimental values of
toluene concentration at different points along the length of the reactor as well as total
toluene degradation rate. Figures 24 and 25 show the substrate and phenotype profiles in the
biofilm at ports 2, 5 and 8 for low influent toluene concentration. Figures 26 and 27 show the
same information for high influent toluene concentration. For both low and high influent
toluene cases, the volume fraction of X++, the toluene degraders, is highest near the biofilm
surface and decreases toward the substratum. The volume fraction X+' and X cells increase
towards the substratum.
Case 4
Figures 28 and 32 show a comparison between experimentally obtained vapor phase
toluene concentrations and predicted profiles for low and high influent toluene
concentrations, respectively. The predicted toluene concentration profiles compare favorably
to the experimental measurements. Figures 29 and 33 show the resulting degradation profiles
with time. The deviation from the experimentally calculated profile is less than 10% for low
influent toluene concentration and less than 20% for high influent toluene concentration.
31
Figures 30 and 34 show the spatial concentration profiles of toluene, oxygen, and
intermediates in the biofilm at day 50 for both low and high influent toluene concentration.
Figures 31 and 35 show the spatial profiles of the volume fraction of the various phenotypes
in the biofilm.
Table 9. Predicted and experimental vapor phase toluene concentration results for
Case 3.
Units
Toluene concentration
Experiment
Run I (150 ppm)
Influent
Port 2
Port 5
Port 8
Effluent
Toluene degradation rate
Run 2 (770 ppm)
Influent
Port 2
Port 5
Port 8
Effluent
Toluene degradation rate
Experimental
Predicted
152.00 ±5.6
123.00 ±5.2
94.00 ± 4.7
74.00 ± 3.9
59.00 ± 4.2
0.0212
152.0
127.3
96.8
72.6
60.8
0.0208
ppm
ppm
ppm
ppm
ppm
g day"1
767.00 ± 32.2
642.00 ± 39.3
475.00 ± 29.5
425.00 ±38.2
363.00 ± 29.2
0.0920
767.0
681.1
561.2
449.7
381.8
0.0876
ppm
ppm
ppm
ppm
ppm
g day'1
32
“
15 --
time [d]
----- Predicted effluent
p
Experimental effluent
x Experimental influent
Figure 5. Case I - Predicted and experimental acetate concentration profiles.
_
i o --
time [d]
----- Predicted effluent
x
Experimental influent
■ Experimental effluent
Figure 6. Case I - Predicted and experimental nitrate concentration profiles.
33
1.4 --
1.2
- -
1.0
- -
0.8
- -
0.6
0.4 --
0.2
- -
time [d]
------Predicted effluent
■ Experimental effluent
Figure 7. Case I - Predicted and experimental biomass concentration profiles.
1.0E-06
9.0E-07 -□ Predicted
8.0E-07 --
■ Experimental
7.0E-07 -6.0E-07 - 5.0E-07 -4.0E-07 -3.0E-07 -2.0E-07 -1.0E-07
to
5
to
10
to
15
to
20
to
25
to
30
to
35
to
40
to
45
to
50
Position in Column [cm]
Figure 8. Case I - Predicted and experimental biofilm thickness profiles.
'g
Detachment velocity [m <T ]
34
re 9. Case I - Predicted detachment velocity profiles along the
length of the column.
Attachment velocity [m d ]
8E-08
7E-08 --
10 cm
6E-08 --
15 cm
5E-08 --
20 cm
25 cm
4E-08 --
30 cm
3E-08 -2E-08 --
50 cm
0E+00
time [d]
Figure 10. Case I - Predicted attachment velocity profiles along the
length of the column.
35
1.0E-06
film thickness [m]
9.0E-07 --
20 cm
7.0E-07 --
15 cm
6.0E-07 ■■
5.0E-07 -4.0E-07 --
30 cm
10 cm
40 cm
50 cm
1.0E-07 -0.0E+00
time [d]
Figure 11. Case I - Predicted temporal biofilm thickness profiles along the
length of the column.
Flow rate [mL min
36
cS
time [d]
re 12. Case 2, Run I - Experimental flow rate.
Iucose [g C m '3]
2.5
2.0
1.5
0.5
tim e [d]
■ Experimental effluent
-----Predicted effluent
x Experimental influent
Figure 13. Case 2, Run I - Predicted and experimental glucose concentration
profiles.
37
5.0 --
4.0
3.0
2.0
1.0
time [d]
Figure 14. Case 2, Run I - Predicted and experimental effluent biomass
concentration profiles.
5.0
4.0 -
3.0 --
1.0
time [d]
Figure 15. Case 2, Run I - Predicted and experimental effluent TOC profiles.
38
7.0E-06
6.0E-06
£,
5.0E-06
M
S
5
O
!E
»5
E
5
.2
CD
4.0E-06
3.0E-06
2.0E-06
1.0E-06
O.OE+OO
Position in colum n [cm]
Figure 16. Case 2, Run I - Predicted biofilm thickness at steady state.
2.5E-06
0.5 cm
2.0E-06 -1.0 cm
1.5E-06 -1.5 cm
1.0E-06 -2.0 cm
5.0E-07
2.5 cm
3.5 cm
4.5 cm
8
10
time [d]
Figure 17. Case 2, Run I - Predicted detachment velocity profiles along the
length of the column.
39
^
5.0
-J 4.0
u- 2.0
time [d]
Figure 18. Case 2, Run 2 - Experimental flow rate.
6.0
-■
5.0
O 4.0
O 3.0
2.0
- -
1.0
--
time [d]
Figure 19. Case 2, Run 2 - Predicted and experimental effluent glucose
concentration profiles.
40
3.5
3.0
E
2.5
2.0
1.5
1.0
-
0.5
time [d]
Figure 20. Case 2, Run 2 - Predicted and experimental effluent biomass
concentration profiles.
6.0
5.0 --
O 3.0
2.0
-
1.0
--
time [d]
Figure 21. Case 2, Run 2 - Predicted and experimental effluent TOC profiles.
41
8.0E-06
7.0E-06
O.OE+OO
Position in colum n [cm]
Figure 22. Case 2, Run 2 - Predicted biofilm thickness at steady state.
3.0E-06
2.5E-06 --
0.5 cm
2.0E-06 --
1.5E-06 --
1.0E-06 --
5.0E-07 --
1.0 cm
1.5 cm
time [d]
Figure 23. Case 2, Run 2 - Predicted detachment velocity profiles along the
length of the column.
Concen
42
N orm alized d is ta n c e from s u b s tratu m
— T o lu e n e ------- O x y g e n .............Interm ediates
Concentration [g m"3]
P o rt 5
N orm alized d is ta n c e from s u b s tra tu m
T o lu e n e ------- O x y g e n ............ Interm ediates
P o rt 8
N orm alized d is ta n c e from s u b s tra tu m
T o lu e n e ------- O x y g e n .............Inte rm e diates
Figure 24. Case 3, Run I - Predicted concentration profiles o f toluene, oxygen
and intermediates in the biofilm over ports 2, 5 and 8.
43
Port 2
0.08
c
.2
Volume fr:
i
0.07
0.06
0.05
0.04
0.03
0.02
0.01
0
0
0.2
0.4
0.6
0.8
1
N orm alized d is ta n c e from s u b s tra tu m
-------- X + + -------- X + - ............X-
P o rt 5
Volume fraction
0.08
0.07
0.06
0.05
0.04
0.03
0.02
0.01
0
0
0.2
0 .4
0.6
0.8
N orm alized d is ta n c e from s u b s tr a tu m
-------- x + + -------- x + - ............ X-
Volume fraction
P o rt 8
0.0 7
- -
0.06
0.05
- -
0.04
- -
0.0 3
- -
0.02
- -
0.01
- -
\
\
N orm alized d is ta n c e from s u b s tra tu m
-------- x + + -------- X + - ............X-
Figure 25. Case 3, Run I - Predicted volume fraction profiles OfX4+, X+"
and X phenotypes in the biofilm over ports 2, 5 and 8.
1
44
P ort 2
18
16
14
- -
12
- -
1 0
- -
- -
N orm alized d is ta n c e from s u b s tra tu m
— T o lu e n e --------O x y g e n ............ Interm e diates
P o rt 5
10
- -
N orm alized d is ta n c e from s u b s tr a tu m
T o lu e n e ------- O x y g e n .............Interm ed iates
P o rt 8
N orm alized d is ta n c e from s u b s tr a tu m
------Toluene — j - O x y g e n ........... Interm ed iates
Figure 26. Case 3, Run 2 - Predicted concentration profiles o f toluene, oxygen,
and intermediates in the biofilm over ports 2, 5 and 8.
45
P o rt 2
I
N orm alized d is ta n c e from s u b s tra tu m
^ _ _ x + + E - - x + - - — X-J
Volume fraction
P o rt 5
0.08
0.07
0.06
0.05
0.04
0.03
0.02
0.01
0
0
0.2
0.4
0.6
0.8
N orm alized d is ta n c e from s u b s tra tu m
-------- X + + -------- X + - ............X-
Volume fraction
P o rt 8
0.07 -0.06
0.05
0.04 -0.03 -0.02 - -
N orm alized d is ta n c e from s u b s tra tu m
-------- X + + -------- X+- * ..........X-
Figure 27. Case 3, Run 2 - Predicted volume fraction profiles o f X4"1", X+'
and X phenotypes in the biofilm over ports 2, 5 and 8.
1
46
c
O
C
0)
O
C
O
O
0)
C
0)
3
£
x
Predicted effluent
Experimental middle
Experimental influent
----- Predicted effluent
Predicted middle
Figure 28. Case 4, Run I - Predicted and experimental vapor phase toluene concentration
profiles.
r e
2
0.6
- -
0.5 --
> 0.4 -a? 0.3 -c 0.2 -0.1
- -
30
time [d]
•
Experimental ----- Predicted
Figure 29. Case 4, Run I - Predicted and experimental toluene degradation rate.
Section 3
Section 1
0.35
-■
Toluene I Ii
[g m"3]
0
0.6
- -
0.30
Oxygen
0.8
0.40
1 j p 0.25
0.5 - ■
0.4 --
o E 0.20
® 2
O
0.2 - ■
0.1 - r
0.15
0.10
0.05
0.00
0
Normalized distance from substratum
0.8
1
Section 4
0.40
0.40 ■■
0
0.35
I 6
0.30
5
1 j p 0.25
4
o E 0.20
3
--
0.15 -
§ 2
0.15
0.10
O
0.10
2
0.05
I
--
0.05 • ■
Oxygen
Toluene I Inter.
[g m 3]
0.6
Normalized distance from substratum
Section 2
0.20
0.4
1------ Toluene..........Intermediates-------Oxygen
---- Toluene.......... Intermediates-------Oxygen |
0.30 -0.25 --
0.2
0.00
0
Normalized distance from substratum
Toluene......... Intermediates-------Oxygen
0.2
0.4
0.6
0.8
I
Normalized distance from substratum
-------Toluene..........Intennediates-------Oxygen |
Figure 30. Case 4, Run I - Predicted concentration profiles of toluene, oxygen, and intermediates in the biofilm at day 50.
Section 3
Section 2
Section 4
Volume fraction
Volume fraction
Section 1
0.07 --
0.07 --
0.06 - -
0.06 - '
0.05 • -
0.05 - -
0.04 - -
0.04 --
0.03 --
0.03 --
0.02
0.02
--
.p
OO
--
0.01 - i _ .
Normalized distance from substratum
X ++------ X + -..........X-
Normalized distance from substratum
-----x++-----x+......... x-
Figure 31. Case 4, Run I - Predicted volume fraction profiles of X h", X+*and X' phenotypes in the biofilm at day 50.
49
O O) 400
0
10
x
20
30
time [d]
Experimental influent
m
40
50
60
Experimental effluent
--------Predicted effluent
.........Predicted middle
Figure 32. Case 4, Run 2 - Predicted and experimental vapor phase toluene concentration
profiles.
2.5 -2.0
- -
1.5 --
0.5 -
30
time [d]
•
Experimental----- Predicted
Figure 33. Case 4, Run 2 - Predicted and experimental toluene degradation rate.
Toluene / Oxygen
[g m"3]
Section 1
Section 3
14 «
10 "O •.
3 " Z-ZTIT"
0.2
Normalized distance from substratum
Toluene / Oxygen
[g m"3]
T 18
' 16
14
12
" 10
8 I 2
6
4
2
k
I
4o
0.6
0.8
Normalized distance from substratum
-T oluene------ Oxygen
•Intermediates
0.8
• Intermediates
-T oluene------ Oxygen
Section 2
0.4
0.6
Normalized distance from substratum
------ Toluene------- Oxygen........... Intermediates
0.2
0.4
1
c
O
Section 4
7 -c
6 --
Ln
O
1 - 4
i l = '
Ii-
21 .."
0 -0.2
0.4
0.6
0.8
Normalized distance from substratum
-Toluene------ Oxygen
• Intermediates
Figure 34. Case 4, Run 2 - Predicted concentration profiles of toluene, oxygen, and intermediates in the biofilm at day 50 .
Volume fraction
Section 1
0.06
0.05
0.04
0.03
0.02
0.01
Section 3
0.08
0.07 -t____________________________________________________
o 0.06--
--•-
2 0.05--
0 0 04"
1 0.03-O 0.02 --
---
>
Normalized distance from substratum
0.01
-
............ .....L . „ „ . . . . . . .
0 - t-------------- 1----------------1--------------------------------1----------—
0
0.2
0.4
0.6
0.8
1
Normalized distance from substratum
-X++ — —X + -........ X-
' l l — x + + ------ x+.............X-!
Volume fraction
Section 2
0.07
0.06
0.05
0.04
0.03
0.02
0.01
---->
--
Section 4
0.07
0.06
0.05
0.04
-----
0.03 -0.02 - 0.01 - -
---
Normalized distance from substratum
X++------ X+-..........X-
Normalized distance from substratum
X++------ X+-......... X-
Figure 35. Case 4, Run 2 - Predicted volume fraction profiles of Xh", X+' and X' phenotypes in the biofilm at day 50.
52
DISCUSSION
Case I
The initial goal of this experiment was to determine the net bacterial detachment rate
from the provided experimental data, assuming that the only significant processes occurring
were bacterial growth and detachment. However, it was discovered that the data could not be
simultaneously fit using only growth and detachment processes. Bacterial attachment in the
50 cm sand columns had to be considered as well. An attachment rate of 288 day'1was
supplied. [7] This attachment rate led to complete reattachment of detached bacteria in the
column, which was not seen experimentally. Eventually, a new estimated attachment rate of
80 day'1was used. This gave a reasonable simultaneous fit of the experimental data.
It was also discovered that the provided experimental core protein profile data was not
reliable. The experimental method for measuring attached biomass via cellular protein was
in error, and the resulting protein measurements were too small by an order of magnitude or
greater, except possibly the measurements taken near the inlet of the column. Unfortunately,
this made the resulting experimental biofilm thickness estimations completely unreliable.
Figures 5 through 8 represent the best possible fit to the experimental data. The
effluent substrate and biomass profiles, Figures 4 through 6, were simultaneously fit. A
judgment can not be made on the quality of the calculated biofilm thickness profiles, figure 8,
because the experimental data is invalid.
What is left is a problem of uniqueness. Only three time series remain to measure the
validity of the model to experimental data: effluent biomass, effluent acetate, and effluent
53
nitrate. However, the most important data series, the biomass spatial profile, is not available.
There does not exists a unique solution to attachment and detachments rates without the
experimental biomass spatial profiles. In other words, several combinations of attachment
and detachment rates could be found that would all satisfactorily fit the three time series of
data available. There is evidence to show that growth-based detachment may not be
sufficient to explain all expermental data. A remedy is to include a background detachment
rate. Determination of background and growth based detachment is possible with this porous
media model, but additional biomass spatial profiles are required. Ideally, spatial biomass
profiles including biomass distribution with time over a given section of porous media would
yield the best results.
Case 2
Simulations for both experiments Run I and Run 2 underpredicted effluent biomass
and TOC in Figures 14, 15, 20, and 21. However, the trends in the predicted versus
experimental time series look similar. The consistent underprediction of effluent biomass
might signify an insufficient description of the biological processes, or it might be the sign of
incorrect biological parameter values. The results for Run I seem to overpredict glucose
utilization, Figure 13, but it should be noted that the sensitivity of the experimental glucose
analysis is approximately 0.5 g C m"3. Run 2 results closely predicted glucose utilization.
The glucose utilization rates are sensitive to the influent dissolved oxygen concentration in
the simulation results for Run 2 because oxygen is predicted to be limiting. Experimental
biofilm thicknesses could not be accurately obtained with confocal microscopy. However,
the predicted biofilm thicknesses are reasonable but not necessarily correct.
54
The initial Ctje value in both cases is arbitrary. The detachment velocity is forced
equal to the growth velocity when it appears in each case that the effluent glucose and
effluent biomass profiles reach steady values, thus signifying a steady state. Therefore, aje is
set to 1.0 near day I in Run I because both glucose and biomass profiles reach steady values
rather quickly. Conversely, in Run 2, Qje is set to 1.0 at day 4. The Cide profile in each case
results in a corresponding detachment velocity profiles for that simulation (Figures 17 and
23). The detachment velocity profile can then be analyzed to determine specific
functionalities with respect to pore size, pore velocity, biofilm thickness, or pressure drop.
Unfortunately, due to a lack of adequate biofilm accumulation experimental data, the
predicted detachment velocity profiles are not unique, and specific analysis for particular
functionalities can not be made.
Case 3
The primary goal of this experiment was to predict vapor phase toluene concentration
profiles and toluene degradation rates. The experimental data was assumed to be taken at
steady state. The prediction of vapor phase toluene concentration and toluene degradation
rate is very good for low influent toluene concentration as seen in Table 9. Prediction of the
_same for high influent toluene concentration is close but not entirely within the error of
experimental measurements. The model is capable of predicting reasonable spatial
phenotypic profiles, Figures 25 and 27, for both low and high influent toluene concentrations.
Generally, the toluene degraders (Xh") tend to stratify near the top of the biofilm while the
irreversibly injured cells (X+') and reversibly injured cells (X") tend to form near the base of
the biofilm.
55
The values of
dx, and bx are all arbitrary to some degree. While the toluene
degradation profiles are not locally sensitive to these parameter values, the values were
chosen within a range in which reasonable biofilm thicknesses and degradation performance
could be obtained. The values of bx and dx are larger for the high influent toluene
concentration case because of evidence to show that death and decay increase as toluene
concentration increases. [6]
Case 4
Contrary to Case 3, the experimental data for Case 4 is transient, not steady state. The
predicted effluent toluene vapor phase concentration and toluene degradation rate profiles,
Figures 28 and 32, compare very well to the experimental for both low and high influent
toluene concentrations. The results for the low influent toluene case, Figure 28, also
accurately predict the vapor phase toluene concentration at the middle of the column.
However, as indicated in the high influent toluene concentration case, while the steady state
concentration levels are correctly simulated, the transient state predicted responses are
severely dampened compared to the experimental data. Again, other biofilm/biological
processes may need to be considered. The spatial phenotypic profile results are reasonable
for this system. More phenotypic stratification occurs at the vapor influent side of the
column because a high toluene concentration drives the stratification by generating more X+"
and X" cells from X h"cells.
56
Overall
The simulations show that the capability exists to model detachment, complex
biological reactions, multispecies biofilms, and bacterial phenotypic transformations. The
comparison between available experimental data sets and predictions is good. This gives
confidence in the capability of this model to adequately simulate biofilm/biological
processes in these porous media systems. However, unique solutions in all cases could not
be obtained because of a lack of key experimental data, usually information such as biofilm
thickness profiles, biofilm densities, effluent biomass concentrations or an incomplete
description of the pertinent biofilm processes: The model can potentially predict the
temporal and spatial series for which experimental data is lacking; but, an evaluation of the
predictive capabilities of the model concerning these experimental data can not be assessed.
Therefore, the level of biofilm/biological processes complexity that can be accurately
simulated can not be evaluated with the current set of experimental data.
Simulation-Experimentation Integration
Often the limiting factor to evaluating complex biofilm simulations is obtaining
adequate and appropriate experimental data. The flexibility of this model, with respect to
biofilm/biological processes, allows more complex biofilm/biological process combinations
to be simulated than can be evaluated experimentally. A simulation-experimentation
framework will allow simulation results to suggest further experimental requirements. This
interaction between simulation and experimentation should lead to better utilization of this
model. Figure 36 shows an outline of a simulation-experimentation framework that could
57
facilitate better simulation results. The arrows do not represent a procedural outline in as
much as they represent informational flow.
Computational
Analysis Loop
Experimental
Loop
Conceptual Model -<■
- Design experiment
>►Mathematical Model
P a r a m e te r C la s s ific a tio n
>►Simulation
Do experiment
Evaluate simulation
Evaluate exp. design
Figure 36. Simulation-experimentation framework outline.
The process usually begins with an experimental design generated to arrive at some
goal, usually to obtain data to create a predictive biofilm model. A conceptual model of the
reactor defines the number of fluid phases, and the number of axial biofilm compartment
sections required to represent the reactor system. A mathematical model elucidates the
kinetic and physical parameters required for the description of the experimental system.
The computational and experimental loops are integrated predominately through
parameter classification, which requires knowledge about both the model and the
58
experimental setup. Parameter classification is a step that systematically classifies all of the
model parameters into three groups: known, measurable, and unknown/unmeasurable. The
groups are also distinguished by the relative uncertainty of the parameter values: known
parameters have the lowest uncertainty while unknown/unmeasurable parameters have the
highest uncertainty. Parameter classification also serves two other purposes: (I) to make the
researcher aware of the mathematical representation of the experimental system, and (2) it
forces the researcher to think about the validity of the experimental setup before actually
performing an experiment. If the experimental setup is deemed satisfactory, then the
experiment is performed and simulations can begin. All influent parameters and
experimental conditions (concentrations, flow rates, temperatures, etc.) and kinetic and
physical parameter values are input into the simulation.
Simulation evaluation is the second important step. If the agreement between
experimental and predicted data sets is not satisfactory, then the simulations are iterated
through the aid of sensitivity analysis and parameter estimation. Sensitivity analyses will
give insight into the important parameters in the model and aid in the determination of which
parameters and estimation should be performed. Parameter estimation allows some unknown
or unmeasurable parameters to be estimated against known experimental data sets. If
satisfactory results can not be obtained through simulation iteration, then an evaluation of the
experimental design is necessary to address issues of adequate and sufficient experimental
data.
59
CONCLUSIONS
Case I
The experimental data are not adequate for unique determination of the
detachment rate of biomass. Moreover, the experimental setup is not sufficient to obtain
required information. The presented porous media biofilm model is capable of
simulating detachment and attachment processes, but sufficient and reliable experimental
data is required to obtain a unique solution to model. Accurate biomass distribution
profiles along the length of the porous media are necessary for modeling biomass
attachment and detachment. Also, knowing biomass distribution profiles at several time
points, not just a final time, point, would add certainty to the identifiability of detachment
and attachment rates.
Case 2
The calculated time-series were reasonably simultaneously fit to the experimental
time-series of effluent glucose, effluent biomass, and effluent TOC. However, the
consistent underprediction of effluent biomass in both cases might signify an insufficient
description of the biological processes. The resulting biofilm thickness profiles look
reasonable, but experimental data are not sufficient for an evaluation.
60
Case 3
The predicted steady state vapor phase toluene concentration profiles compare
closely to the experimental data. The model can simulate multispecies, multisubstrate
biofilms. The predicted phenotypic profiles in the biofilm are reasonable for the given
biological processes.
Case 4
The predicted temporal effluent toluene concentration profiles, and the middle
concentration profiles for the low influent tolune concentration case, compared very
favorably to the experimental data. The qualitative shapes of the predicted phenotypic
profiles in the biofilm are reasonable for the given biological processes.
Overall
The combination of reactor, biofilm, and biological process models incorporated
into Aquasim give it the capability to model and simulate both one-fluid-phase and twofluid-phase porous media reactor systems as well as the complexity of biological
processes that can occur in the biofilm.
For the cases for which a comparison could be made for experimental and
predicted results, the comparison was very good. There is a lack of the correct type of
experimental data to make evaluations of many predicted results. This does not mean
that the results are incorrect, just that an evaluation of the correctness can not be made.
61
Simulation-Experimentation Integration
Integration of experimentation and simulation could lead to better simulation
results. The presented outline is a basis for eventual formalization of simulationexperimentation integration.
62
RECOMMENDATIONS
1) Explore additional capabilities of this model and the extended MCB model presented
by Wanner and Reichert [15]. Of particular note are pore geometry considerations,
such as the relationship between biofilm thickness and biofilm surface area, and how
that relationship is affected by different packing materials.
2) Formalize the use of sensitivity analysis and parameter estimation for simulation
iteration in order to obtain better, simulation results. Determine how the information
obtained through parameter classification can aid in the effective use of sensitivity
analysis and parameter estimation.
3) Formalize methods to actively integrate simulation results with further
experimentation. Determine the best way to utilize biofilm processes simulation
models as tools for experimental design. This will immensely increase the utility of
biofilm process simulation models in that it provides another source of information
about the validity and direction of the experimental design.
63
REFERENCES CITED
1)
Baltzis,B..,Shareefdeen,Z. 1993. “Modeling and preliminary design criteria for
packed-bed biofilters.” Proceedings of the 86th meeting of the Air & Waste
Management Association, June 1993. Paper 93-TP-52A.03.
2)
Baveye5P., Valocchi5A. 1989. “An Evaluation of Mathematical Models of the
Transport of Biologically Reacting Solutes in Saturated Soils and Aquafers.” Wat.
Res. Research. 25(6): 1413-1421.
3)
Deshusses5M., Hamer5G., Dunn51. 1995. “Behavior of Biofilters for Waste Air
Biotreatment. I . Dynamic Model Development.” Environ. Sci. Tech. 29:10481058.
4)
Diks5R., Ottengraf5S. 1991. “Verification studies of a simplified model for the
removal of dischloromethane from waste gases using a biological trickling filter.”
Bioprocess Engineering. 6: 131-140.
5)
Jennings5D. 1994. “Modeling Microbial Transport in Porous Media.”
Unpublished M.S. thesis, Chemical Engineering. Washington State University5
December 1994.
6)
Mirpuri5R. 1995. “Physiological and Environmental Factors Affecting Biofilm
Formation and Activity in Vapor Phase Bioreactors.” Ph.D. dissertation, Chemical
Engineering. Montana State University - Bozeman5Bozeman5MT. November
1995.
7)
Peyton5B. 1995. Personal Communication.
8)
Rittmann5B. 1993. “The Significance of Biofilms in Porous M edia” Wat. Res.
Research. 29(7): 2195-2202.
9)
Reichert, P. 1994. “AQUASIM - A Tool for Simulation and Data Analysis of
Aquatic Systems.” Wat. Sci. Tech. 30(2): 21-30.
10) Reichert, P. 1994b. “Concepts underlying a computer program for the identification
and simulation of aquatic systems.” Schriftenreihe der EAWAG Nr. 7. Swiss
Federal Institute for Environmental Science and Technology (EAWAG)5
Dtibendorf5Switzerland.
64
11) Reichert, P., von Schulthess, R., Wild, D. 1995. “The Use of AQUASIM for
Estimating Parameters of Activated Sludge Models.” Wat. Sci. Tech. 31(2): 135147.
12) Taylor, S., Milly, P., Jaffe, P. 1990.. “Biofilm Growth and the Related Changes in
the Physical Properties of a Porous Medium.” Wat. Res. Research. 26(9): 21612169.
13) Taylor, S., Jaffe, P. 1990. “Substrate and Biomass Transport in a Porous Medium.”
Wat. Res. Research. 26(9): 2181-2194.
14) Wanner, O., Cunningham, A. B., Lundman, R. 1995. “Modeling Biofilm
Accumulation and Mass Transport in a Porous Medium Under High Substrate
Loading.” Biotechnol. Bioeng. 47: 703-712.
15) Wanner, O., Reichert, P. 1995. “Mathematical Modeling of Mixed-Culture
Biofilms.” Biotechnol. Bioeng. 49: 172-184.
\
65
APPENDICES
66
Appendix A
Materials and methods for Case 2 - MSU
biofilm detachment experiment
67
MATERIALS AND METHODS
Materials
The experimental system consisted of a closed conduit reactor with external
dimensions of 4 cm x 2 cm x 31 cm and an internal channel with dimensions of 1.0 cm x
1.2 cm x 4.5 cm.. The channel was packed with sand particles having an average size of
212 pm x 164 jam. A glass viewport of 3.0 cm was centered along the porous media
channel. The downstream side of the channel was covered with a mesh screen to hold the
sand particles. All tubing used was Masterflex silicone (oxygen-permeable) tubing. The
pump used was a Masterflex peristaltic pump.
The nutrient media was gravity fed into the reactor. The media was pumped up to
a storage reservoir of approximately 100 mL via a peristaltic pump. The liquid level in
the holding vessel was kept constant by an overflow tube. The media was fed upflow into
the vertical column. A flow break was placed between the reservoir and column to
prevent back growth. The head was measured from the liquid level in the storage
reservoir to the top of the porous media column.
The biofilm was developed using a Pseudomonas aeruginosa inoculum. Two
distinct influent glucose concentrations were used: 6.7 mg glucose/L and 13.5 mg
glucose/L. The nutrient solution was a modified Scheusner’s mineral salt medium.
System Operation
68
The reactor was inoculated with I mL of frozen stock (approx. IO8 cells/mL)
because the cells counts in the batch culture were not high enough (approx. IO4 cells/mL).
The start-up procedure for Run I was to allow the inoculum to flow into the porous
media column and remain there for 24 hours with no flow. For Run 2, the reactor was
inoculated and flow was recycled throughout the reactor system for 24 hours. Feed
carboys containing the mineral salts media were autoclaved for several hours. The
glucose and fluorescene dye were autoclaved separately for 25 minutes and then added to
the feed carboys aseptically.
Variables measured during the experiment included total organic carbon (TOC),
dissolved organic carbon (DOC), glucose concentrations, suspended direct cell counts,
and pressure drop across the reactor. Images were taken at various points along the
porous media reactor using a confocal microscope in order to estimate biofilm thickness.
Analytical Methods
Total organic carbon measurements were made on a Dorhman DC 80 carbon
analyzer. Carbon in the sample is oxidized to carbon dioxide by a potassium persulfate
solution in the presence of UV light. The amount of carbon dioxide evolved by this
reaction is monitored by an infared gas detector. A computer integrates the reading from
the infared gas detector to give the organic carbon concentration. Samples were first
acidified to a pH of 2 to remove any inorganic carbon. Subsequent oxygen purging then
removed any carbon dioxide dissolved in the liquid. These preliminary steps are crucial
to measurement accuracy as the analyzer can not distinguish the source of the carbon
69
dioxide. The liquid injection was manual into the DC 80. Each samples was injected in
duplicate.
Glucose concentrations were determined calimetrically using Sigma Diagnostics
Enzymatic Glucose Determination (procedure no. 51GA). This procedure employs two
separate enzymatic reactions. In the first reaction, glucose oxidase converts any glucose
present into gluconic acid. The second reaction then reacts peroxidase with the gluconic
acid to produce ozt/zo-dianisidine. The o/Y/zodianisidine in brown in color and this can
be detected using a spectrophotometer at a wavelength of 450 run. Over a wide range of
glucose concentrations the absorbance of ozt/zo-dianisidine is linear with concentration.
Each of these samples was tested in duplicate. The standard error of estimate was
approximately 10% for glucose and TOC measurements.
Biofilm thickness measurements were made by analyzing confocal microscope
images. The fluorescene-dyed biofilm was easily distinguishable from the particles and
the bulk liquid. Both non-destructive and destructive porous media image were taken.
Non-destructive images only show a field within 150 pm from the glass surface.
Destructive images were taken by pulling a sample from 3 different depths in the porous
media channel.
Effluent DOC and effluent cell counts were also taken but not used in the
simulations because of a lack of confidence in the accuracy of the measurements.
70
APPENDIX B
Tables of Results
71
Appendix B. I
Case I - Microbial transport experiment
72
Case I - Predicted and experimental acetate concentration (Figure 5).
Predicted
Experimental
l im e
in f lu e n t
fd a y l
I
[g C /m 3 ]
2 4 43
I
7
21 31
2
Jd ay l
s e c tio n 8
e fflu e n t
e fflu e n t
tim e
se c tio n 5
s e c tio n 6
[g C /m 3 ]
J g C /m 3 ]
[g C /m 3 ]
J RCAn 3]
Jg C /m 3 ]
J g C /m 3 ]
[g C /m 3 ]
[R C /m 31
Jg O m S ]
JgO m S ]
2 5 .6 9
M av l
4 .0
21.01
2 1 .01
2 1 .01
2 1 .01
2 1 .01
21 01
2 1 .0 1
2 1 .0 1
2 1 .01
2 1 .0 1
2 5 .2 9
4 .5
2 2 .5 3
2 2 .4 4
2 2 .3 5
2 2 .2 6
2 2 .1 7
2 2 .0 7
2 1 .9 8
2 1 .8 8
2 1 .7 9
2 1 .6 9
2 0 .6 2
s e c tio n 3
Jg O m S l
9
2 0 .0 8
3
1 7 .42
5 .0
22.21
2 2 .0 6
2 1 .9 0
2 1 .7 3
2 1 .5 5
21 3 8
2 1 .1 9
2 1 .0 1
2 0 .8 2
Il
2061
4
2 1 .01
5 .5
2 1 .8 6
2 1 .61
2 1 .3 3
2 1 .0 3
2 0 .71
2 0 .3 8
2 0 .0 3
1 9 .6 8
19.31
18 9 5
13
21 81
5
1 9 .1 2
6 .0
2 1 .4 8
2 1 .0 6
2 0 .5 9
2 0 .0 7
19.51
1 8 .9 2
1 8 .3 0
1 7 .6 5
1 6 .99
16.31
16
2 0 .3 0
6
1395
6 .5
2 1 .0 5
2 0 .41
1 9 .6 6
1 8 .8 2
1 7 .90
16.91
1 5 .8 6
14 7 8
13 6 6
1 2 .5 4
18
2 1 .1 3
7
3 .0 9
7 .0
2 0 .5 8
19.63
1 8 .4 9
1 7 .1 9
1 5 .7 4
1 4 .1 8
1 2 .5 5
1 0 .9 0
9 .2 7
1 6 .75
1 4 .7 0
1 2 .4 6
1 0 .1 4
7 .8 9
5 .9 5
4.71
4 .3 2
1 4 .4 9
11.51
8 .4 7
5 .8 6
4 .5 4
4 .2 9
4 .2 6
4 .2 5
8
3 .5 5
7 .5
1 9 .94
18.51
9
2 .6 6
8 .0
19.21
17.11
7 .7 3
10
3 .2 7
8 5
18 58
1 5.92
1 2 .58
8 .9 6
5 .8 4
4 .4 9
4 .2 9
4 .2 7
4 .2 7
4 .2 7
11
2 .9 5
9 .0
1 7 .9 7
14.75
1 0 .73
6 .7 9
4 .6 5
4 .3 2
4 .2 9
4 .2 9
4 .2 9
4 .2 9
12
4 48
9 .5
1 7 .6 9
1 3.74
896
5 .1 7
4 .2 4
4 .1 6
4 .1 6
4 .1 6
4 .1 6
4 .1 6
13
2 .7 0
1 0 .0
17.45
1 2 .7 7
7 .4 0
4 .4 1
4 .0 4
4 .0 2
4 .0 2
4 .0 2
4 .0 2
4 .0 2
14
3 .5 7
10.5
17.21
I l 79
4 .0 5
3 .8 9
3 .8 8
3 88
3 .8 8
3 .8 8
3 .8 8
15
3 .6 4
1 1 .0
16.93
1074
5 .0 5
3 .8 2
3 .7 5
3 .7 4
3 .7 5
3 .7 5
3 .7 5
3 .7 5
9 .6 6
4 .5 9
4 .0 2
4 .0 0
3 .9 9
3 .9 9
3 .9 9
3 .9 9
3 .9 9
16
3 .1 6
11.5
1 6 .7 0
6 .0 9
17
3.41
12 0
16.41
8 56
4 .5 3
4 .2 7
4 .2 6
4 .2 5
4 .2 5
4 .2 5
4 .2 5
4 .2 5
18
3 .5 4
12.5
1 6 .14
7 .6 7
4 .6 6
4 .5 2
4 .5 2
4 .5 2
4 .5 1
4 .5 1
4.51
4 .5 1
19
3 .2 3
1 3 .0
1581
6 .9 4
4 86
4 .7 8
478
4 .7 8
4 .7 8
4 .7 8
4 .7 7
4 .7 7
20
3 .2 7
1 3 .5
1493
6 .0 8
4 .7 0
4 .6 6
466
4 .6 6
4 .6 6
466
4 .6 6
4 .6 6
21
266
1 4 .0
1 4 .0 2
5 .4 7
4 .5 6
4 .5 3
4 .5 3
4 .5 3
4 .5 3
4 .5 3
4 .5 4
4 .5 4
1 4 .5
12 8 6
4 .9 7
442
4 40
4 .4 0
4 .4 0
4 .4 1
4.41
441
4.41
4 .2 8
4 .2 8
4 .2 8
4 28
1 5 .0
I l 65
4 .6 3
4 28
4 .2 7
4 .2 8
4 .2 8
15 5
1 0 .7 2
441
4 .1 5
4 .1 5
4 .1 5
4 .1 5
4 .1 5
4 .1 5
4 .1 5
4 .1 5
1 6 .0
9 .8 3
4 .2 2
4 .0 2
4 .0 2
4 .0 2
4 .0 2
4 .0 2
4 .0 2
4 .0 2
4 .0 2
16.5
9 .3 2
443
4 .2 8
4 .2 7
4 .2 7
4 .2 7
4 .2 7
4 .2 7
4 .2 7
4 .2 6
1 7 .0
8 84
465
4 .5 4
4 .5 4
4 .5 4
4 53
4 .5 3
4 .5 3
4 .5 3
4 .5 3
1 7 .5
8 .2 4
4 88
4 .8 0
4 .8 0
4 .8 0
4 .8 0
4 .8 0
4 .8 0
4 .7 9
4 .7 9
180
7 .7 2
5 .1 2
5 .0 7
5 .0 7
5 .0 6
5 .0 6
5 .0 6
5 .0 6
5 .0 6
5 .0 6
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
18.5
7 .2 9
5.11
5 .0 7
5 .0 7
5 .0 7
1 9 .0
6 .9 3
5 .1 0
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
19.5
6 .5 9
5 .1 0
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
2 0 .0
6 32
5 ,0 9
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
2 0 .5
6 .1 2
509
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
2 1 .0
5 .9 6
5 .0 8
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
5 .0 7
73
Case I - Predicted and experimental nitrate concentration (Figure 6).
Predicted
Experimental
[d a y ]
in flu e n t
t im e
se c tio n 5
se c tio n 6
s e c tio n 7
s e c tio n 8
se c tio n 9
s e c tio n IO
g N /m 3
[d a y ]
g N /m 3
[d a y ]
[R N /m 3 ]
[g N /m 3 ]
[g N /m 3 ]
[g N /m 3 ]
[g N /m 3 ]
[g N /m 3 ]
[g N /m 3 1
[g N /m 3 ]
[g N /m 3 ]
[g N /m 3 ]
4 .0
1 0 .5 6
1 0 .5 6
1 0 .5 6
10 56
1 0 .56
1 0 .5 6
1 0 .5 6
1 0 .5 6
1 0 .5 6
1 0 .5 6
s e c tio n 2
tim e
I
1 0 .8 4
I
10.81
7
1 0 .7 8
2
10 78
4 .5
1 0.75
1 0 .7 0
1 0 .6 4
1 0 .5 8
1 0 .5 2
1 0 .4 6
1 0 .4 0
1 0 .3 4
1 0 .28
1 0 .2 2
9
996
3
1 2 .5 9
5 .0
10.71
10 61
10.51
1 0 .4 0
1 0 .29
1 0 .18
1 0 .0 6
9 .9 4
9 .8 2
9 .7 0
11
1 0 .6 4
4
1 0 .56
5 .5
1 0 .6 5
1 0 .4 9
10.31
1 0 .1 2
9 .9 2
9.71
9 .4 9
9 .2 7
9 .0 4
8 .8 0
13
1 0 .7 4
5
1 0 08
6 .0
1 0 .5 7
1 0 .3 0
10.01
9 .6 8
9 .3 3
8 .9 5
8 .5 6
8 .1 5
7 .7 3
7 .3 0
16
1 0 .2 7
6
660
6 .5
1 0 .4 6
1 0.05
9 .5 8
9 .0 5
8 .4 7
7 .8 4
7 .1 8
6 .4 9
5 .7 9
18
1 0 .1 3
7
007
7 .0
9 .0 0
8 .1 8
7 .2 6
6 .2 8
5 .2 5
4 .2 1
3 .1 8
2 .2 1
0 08
1 0 .3 2
991
9 .7 2
7 .5
9.01
7 .8 9
6 .6 0
5 .1 9
3 .7 2
2 .3 1
1 .0 8
0 .3 0
0 .0 5
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
8
9
000
80
9 .4 3
8.11
6 .4 6
4 .5 8
2 .6 6
I Ol
0 .1 8
0 .0 2
10
0 .0 4
8 5
9 .0 3
7 .3 5
5 .2 4
2 .9 6
0 .9 9
0 .1 4
0 .0 1
0 .0 0
0.00
0.00
0.00
0.00
0.00
0.00
0.00
Il
0 .0 4
9 .0
8 .6 3
6 .6 0
4 .0 6
1 .5 8
0 .2 3
0 .0 2
12
0 04
9 .5
8 54
6 .0 5
3 .0 3
0 .6 4
0 .0 5
16
0 .0 0
11.5
8.01
3 .5 7
0 .3 7
0 .0 2
17
0 .0 0
1 2 .0
7 .6 6
2.71
0 .1 7
0 .0 1
0 .0 0
18
0 .0 0
12.5
7 .3 3
I 99
0 .0 9
0 .0 0
0 .0 0
19
0 .0 0
1 3 .0
6 .9 6
I 36
0 .0 5
0 .0 0
0 .0 0
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
20
0 .0 0
13.5
648
0 .9 0
0 .0 3
0 .0 0
0 .0 0
o.oo
21
0 .0 0
1 4 .0
5 .9 9
0 .5 9
0 .0 2
0 .0 0
0 .0 0
0 .0 1
13
0 .0 5
1 0 .0
848
5 .5 2
2 .1 3
0 .2 4
0 .0 2
14
0 .0 5
10.5
8.41
4 .9 9
I 40
0 .1 0
0 .0 1
15
0 .0 4
MO
8 .3 2
4.41
0 .8 3
0 .0 5
0 .0 0
0 .0 0
0 00
0 .0 0
14.5
5 .3 4
0 .3 6
1 5 .0
466
0 .2 3
0.01
0 .0 0
0 .0 0
15.5
4 .1 5
0 .1 7
0 .0 0
0 .0 0
0 .0 0
16 0
3 .6 7
0 .1 3
0 .0 0
0 .0 0
o.oo
16.5
3 .1 8
0 .0 9
0 .0 0
0 .0 0
0 .0 0
1 7 .0
2.71
0 .0 7
0 .0 0
0 .0 0
17.5
2 .1 6
0 .0 5
0 .0 0
0 .0 0
18 0
1 .6 7
0 .0 3
0 .0 0
18.5
1 .4 0
0 .0 2
0 .0 0
0 .0 0
0 .0 0
0 .0 0
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
000
1 9 .0
I 17
0 .0 2
0 .0 0
19.5
0 .9 6
0.01
0 .0 0
200
0 .7 9
0.01
0 .0 0
0 .0 0
2 0 .5
0 .6 6
0.01
0 .0 0
0 .0 0
21 0
0 .5 6
0.01
0 .0 0
0 .0 0
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
000
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0 .0 0
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
o.oo
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0 .0 0
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
5 .0 8
o.oo
000
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0.00
0 .0 0
0 .0 0
0.00
0.00
0.00
74
Case I - Predicted and experimental biomass concentration (Figure 7).
Predicted
Experimental
tim e
effluent
tim e
sectio n I
sectio n 2
sectio n 3
sectio n 4
sectio n 5
sectio n 6
sectio n 7
se c tio n 8
sectio n 9
sectio n 10
[day]
[gC /m 3]
[day]
[g C /m 3 ]
[g C /m 3 ]
[g C /m 3 ]
[g C /m 3 ]
[g C /m 3 ]
[g C /m 3 ]
[g C /m 3 ]
[g C /m 3 ]
[g C /m 3 ]
[g C /m 3 ]
3
0 .0 3 8
4.0
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
0.000
5
0 .0 8 7
4.5
0 .0 0 6
0 .0 1 0
0.015
0 .0 1 8
0.021
0 .0 2 4
0 .0 2 6
0 .0 2 8
0 .0 3 0
0.031
7
0 .3 4 3
5.0
0.011
0.021
0 .0 3 0
0 .0 3 7
0 .0 4 4
0 .0 5 0
0 .0 5 6
0.061
0.065
0 .0 6 8
9
1.164
5.5
0 .0 2 0
0 .0 3 9
0 .0 5 7
0 .0 7 3
0 .0 8 8
0 .1 0 2
0 .1 1 4
0 .1 2 5
0 .1 3 5
0 .1 4 4
11
1.102
6.0
0 .0 3 5
0 .0 6 9
0 .1 0 3
0 .1 3 6
0 .1 6 7
0 .1 9 5
0 .2 2 2
0 .2 4 6
0 .2 6 8
0 .2 8 8
13
1.429
6.5
0 .0 5 7
0 .1 1 6
0 .1 7 7
0 .2 3 8
0 .2 9 7
0 .3 5 3
0 .4 0 5
0 .4 5 3
0 .4 9 6
0 .5 3 2
15
0 .996
7.0
0 .0 8 8
0 .1 8 6
0 .2 9 0
0 .3 9 6
0.501
0.601
0 .6 9 2
0.771
0 .8 3 3
0 .8 7 4
17
0 .604
7.5
0 .1 3 7
0 .2 9 8
0 .4 7 2
0.651
0 .8 2 4
0 .9 7 6
1.091
1.145
1.100
0 .9 5 3
19
0 .4 0 9
8.0
0 .2 0 6
0 .4 5 7
0 .7 3 4
1.008
1.240
1.368
1.293
1.085
0 .8 8 4
0 .7 1 8
21
0.241
8.5
0 .2 7 3
0 .6 2 2
1.596
1.511
1.267
1.041
0 .8 0 8
1.733
1.780
1.526
1.266
1.047
0 .8 5 2
0.865
0 .6 9 8
0 .3 4 4
1.012
1.320
1.375
9 .0
9.5
0 .4 3 6
1.045
1.693
2 .0 5 6
1.862
1.554
1.286
1.063
0 .8 7 8
0 .7 2 6
10.0
0 .5 3 2
1.301
2.064
2 .2 5 9
1.935
1.605
1.328
1.098
0 .9 0 8
0 .7 5 0
10.5
0.601
1.494
2 .2 8 6
2 .2 6 9
1.907
1.580
1.307
1.081
0 .8 9 4
0 .7 3 9
11.0
0 .6 7 7
1.700
2.454
2 .2 6 0
1.885
1.561
1.292
1.069
0.884
0.731
11.5
1.931
2 .1 6 5
2 .5 2 8
2 .5 2 5
2 .1 9 5
1.819
1.503
0 .8 4 7
0 .6 9 9
2 .1 3 2
1.761
1.452
1.242
1.197
1.026
12.0
0 .7 7 2
0 .8 7 9
0 .9 8 7
0 .8 1 3
0 .6 7 0
12.5
0 .9 8 5
2 .3 6 8
2 .5 1 0
2 .1 0 0
1.736
1.434
1.183
0 .9 7 6
0 .8 0 5
0 .6 6 4
13.0
1.102
2 .5 4 3
2 .4 8 7
2 .0 7 3
1.715
1.419
1.173
0 .9 6 9
0 .8 0 0
0 .6 6 0
0 .6 5 3
0 .7 1 5
13.5
1.219
2 641
2 .4 4 3
2 .0 3 3
1.685
1.395
1.155
0 .9 5 5
0 .7 9 0
14.0
1.342
2.691
2.403
2 .0 0 0
1.659
1.376
1.140
0 .9 4 5
0 .7 8 2
0 .6 4 7
14.5
1.502
2 .6 9 3
2 .3 2 9
1.929
1.594
1.317
1.087
0 .8 9 7
0 .7 3 9
0 .6 0 9
15.0
1.671
2.661
2 .2 5 6
1.859
1.530
1.259
1.034
0 .8 5 0
0 .6 9 7
0 .5 7 2
15.5
1.800
2 .6 4 3
2.231
1.843
1.521
1.254
1.033
0 .8 5 0
0 .7 0 0
0 .5 7 5
16.0
1.922
1.829
1.513
1.251
1.033
0 .8 5 2
0 .7 0 3
0 .5 7 9
2 .0 5 9
2 .6 2 3
2.611
2 .2 0 9
16.5
2 .1 9 5
1.822
1.511
1.252
1.036
0 .8 5 7
0 .7 0 8
0 .5 8 5
17.0
2 .1 9 0
2 .5 9 8
2 .1 8 2
1.816
1.509
1.253
1.040
0 .8 6 2
0 .7 1 4
0.591
17.5
2 .3 3 6
2.561
2.141
1.779
1.476
1.223
1.013
0 .8 3 8
0 .6 9 3
0 .5 7 3
18.0
2 .4 6 6
2 .5 2 4
2.102
1.743
1.444
1.194
0 .9 8 7
0 .8 1 5
0 .6 7 3
0 .5 5 5
18.5
2 .5 5 2
2 .5 2 4
2 .1 0 6
1.750
1.453
1.205
0 .9 9 8
0 .8 2 6
0 .6 8 3
0 .5 6 5
0 .5 7 5
19.0
2 .6 2 5
2 .5 2 6
2 .1 1 2
1.759
1.464
1.217
1.010
0 .8 3 8
0.695
19.5
2 .6 8 9
2 .5 1 9
2 .1 0 5
1.755
1.460
1.214
1.008
0 .8 3 7
0.694
0 .5 7 5
20 .0
2 .7 4 0
2.514
2.101
1.752
1.458
1.213
1.007
0 .8 3 6
0 .6 9 3
0 .5 7 4
20.5
2 .7 7 9
2.511
2 .0 9 8
1.750
1.457
1.212
1.007
0 .8 3 6
0 .6 9 3
0 .5 7 5
2 1 .0
2 .8 1 0
2 .5 0 9
2 .0 9 7
1.749
1.457
1.212
1.008
0 .8 3 6
0 .6 9 4
0575
75
Case I - Predicted and experimental biofilm thickness profiles (Figures 8 and 11).
Predicted
Experimental
sectio n I
m
tim e
[day]
21
4 .1 6 E -0 7
tim e
sectio n I
sectio n 2
section 3
sectio n 4
sectio n 5
sectio n 6
sectio n 7
sectio n 8
sectio n 9
sectio n 10
[day]
4 .0
[m ]
[m ]
fm ]
[m l
I.0 E -0 9
1.0E -09
[m]
1.0E -09
fm ]
1.0E -09
[m ]
1 .0E -09
[m ]
I.0 E -0 9
1 .0E -09
[m ]
1 .0 E O 9
1 .0 E -0 9
2 .0 E -0 9
I.0 E -0 9
[m ]
4.5
1 .7E -09
1 .8E -09
1.8E -09
1 .9E -09
1 .9E -09
1.9E -09
2 .0 E -0 9
2 .0 E -0 9
2 .0 E -0 9
5.0
2 .9 E -0 9
3. IE -0 9
3 .3 E -0 9
3 .4 E -0 9
3 .6 E -0 9
3 .7 E -0 9
3 .8 E -0 9
3 .9 E -0 9
3 .9 E 0 9
4 .0 E O 9
5.5
4 .6 E -0 9
5 .2 E -0 9
5 .7 E -0 9
6 .1 E -0 9
6 .5 E -0 9
6 .8 E -0 9
7. IE -0 9
7 .3 E -0 9
7 .6 E -0 9
7 .7 E -0 9
6 .0
7. IE -0 9
8 .3 E -0 9
9 .5 E -0 9
1.0E -08
1.3E-08
1 .4E -08
1.4E -08
1 .5E -08
I . IE -0 8
1.3E -08
I.5 E -0 8
I.7 E -0 8
I.1 E -0 8
I.9 E -0 8
1.2E -08
6.5
2. IE -0 8
2 .3 E -0 8
2 .4 E -0 8
2 5608
2 6608
4 .4 E -0 8
7.0
1.5E -08
2 .0 E -0 8
2 .4 E -0 8
2 .8 E -0 8
3 .2 E -0 8
3 5608
3 .8 E -0 8
4 .0 E -0 8
4 2608
7.5
8.0
2 .1 E -0 8
2 .8 E -0 8
2 .9 E -0 8
3 .6 E -0 8
4 .3 E -0 8
5 .0 E -0 8
5 .5 E -0 8
6 .3 E -0 8
6 .5 E -0 8
6 .4 E -0 8
4 .0 E -0 8
5 .2 E -0 8
6 .4 E -0 8
7 .4 E -0 8
8 .2 E -0 8
6 .0 E -0 8
8 .5 E -0 8
8 .4 E -0 8
8 .0 E -0 8
7 .6 E -0 8
8.5
3 .6 E -0 8
5 .5 E -0 8
7 .3 E -0 8
9 .0 E -0 8
1 .0E -07
I . IE -0 7
I. IE -0 7
9 .9 E -0 8
9 .3 E 0 8
8 .6 E -0 8
9 .0
4 .5 E -0 8
7 .1 E -0 8
9 .8 E -0 8
1.2E -07
1.3E -07
1.3E -07
1 .2E -07
I. IE -0 7
I.0 E O 7
96608
9.5
5 .3 E -0 8
8 .9 E -0 8
1.2E -07
1.5E -07
1.6E -07
1.5E -07
1.4E -07
13607
1 .2 E 0 7
1 .1 E 0 7
10.0
6. IE -0 8
1.1E -07
1.5E -07
1.9E -07
1.9E -07
1.8E -07
16607
1 .4 E -0 7
13607
12607
10.5
6 .9 E -0 8
1 .3E -07
1.8E -07
2 .2 E -0 7
2 .2 E -0 7
2 .0 E -0 7
1 .8E -07
1 .6E -07
14607
1.3E -07
11.0
7 .9 E -0 8
1 .5E -07
2 .2 E -0 7
2 .5 E -0 7
2 .4 E -0 7
2 .2 E -0 7
2 .0 6 0 7
1 .8 E -0 7
1 .6E -07
14607
11.5
8 .9 E -0 8
1.8E -07
2 .5 E -0 7
2 .8 E -0 7
2 .7 E -0 7
2 .4 E -0 7
2 .2 6 0 7
I.9 E -0 7
12.0
I.0 E -0 7
2 .0 E -0 7
2 .9 E -0 7
3. IE -0 7
2 .9 E -0 7
2 .6 E -0 7
2 .3 6 0 7
2 .0 E -0 7
1 .7 E 0 7
1.8E -07
1.6E -07
1 .7E -07
1.5E -07
12.5
I IE -0 7
2 .4 E -0 7
3 .2 E -0 7
3 .4 E -0 7
3 .2 E -0 7
2 .8 E -0 7
2 .5 6 0 7
2 .2 E -0 7
1 .9 E 0 7
13.0
1.3E -07
2 .7 E -0 7
3 .6 E -0 7
3 .7 E -0 7
3 .4 E -0 7
3 .0 E -0 7
2 .7 E -0 7
2 .3 E -0 7
2 .0 E O 7
18607
13.5
1.5E-07
3 .1 E -0 7
3 .9 E -0 7
4 .0 E -0 7
3 7647
3 .2 E -0 7
2 .8 E -0 7
2 .5 E 0 7
2 .1 E 0 7
1 .9E -07
14.0
1 .6E -07
3 .5 E -0 7
4 .3 E -0 7
4 .3 E -0 7
3 .9 E -0 7
3 4607
3 .0 E -0 7
2 .6 E -0 7
2 .2 E 0 7
1 .9E -07
14.5
1.8E-07
3 .8 E -0 7
4 .6 E -0 7
4 .5 E -0 7
4. IE -0 7
3 6607
3. IE -0 7
2 .7 E 0 7
2 .4 E -0 7
2 0607
15.0
2 .1 E -0 7
4 .2 E -0 7
4 .9 E -0 7
4 .8 E -0 7
4 .3 E -0 7
3 .8 E -0 7
3 3607
2 .8 E -0 7
2 5607
2. IE -0 7
15.5
16.0
2 .3 E -0 7
2 .6 E -0 7
4 .6 E -0 7
5 .2 E -0 7
5. IE -0 7
4 .5 E -0 7
4 .0 E -0 7
3 .4 E -0 7
3 .0 E -0 7
2 .6 E -0 7
4 .9 E -0 7
5 .5 E -0 7
5 .3 E -0 7
4 .8 E -0 7
4 IE -0 7
3 .6 E -0 7
3 .1 E -0 7
2 .7 E 0 7
2 .2 E -0 7
2 .3 E -0 7
16.5
2 .8 E -0 7
5 .3 E -0 7
5 .8 E -0 7
5 .6 E -0 7
5 .0 E -0 7
4 .3 E -0 7
3 7607
3 .2 E -0 7
2 .7 E 0 7
2 .4 E -0 7
17.0
3 .1 E -0 7
5 .6 E -0 7
6. IE -0 7
5 .8 E -0 7
5 .2 E -0 7
4 .5 E -0 7
3 9607
3 .3 E 0 7
2 .8 6 0 7
2 .4 E -0 7
17.5
3 .5 E -0 7
6 .0 E -0 7
6 .4 E -0 7
6 .0 E -0 7
5 .4 E -0 7
4 .7 E -0 7
4 .0 E -0 7
3 .4 E -0 7
2 .9 E 0 7
2 .5 E -0 7
18.0
3 .8 E -0 7
6 .4 E -0 7
6 .7 E -0 7
6 .3 E -0 7
5 .6 E -0 7
4 .8 E -0 7
4 .1 6 0 7
3 .6 E -0 7
3 0607
2 .6 E -0 7
18.5
4. IE -0 7
6 .7 E -0 7
7 .0 E -0 7
5 .8 E -0 7
5 .0 E -0 7
4 .3 E -0 7
2 .7 E -0 7
4 .5 E -0 7
7 .0 E -0 7
7 .3 E -0 7
6 .0 E -0 7
5 .2 E -0 7
4 .4 E -0 7
3 .7 E 0 7
3 .8 E -0 7
3 1607
19.0
6 .5 E -0 7
6 .8 E -0 7
32607
2 .8 E -0 7
19.5
4 .9 E -0 7
7 .4 E -0 7
7 .6 E -0 7
7 .0 E -0 7
6 .2 E -0 7
5 .3 E -0 7
46607
3 .9 E 0 7
3 3607
2 8607
2 0 .0
5 .2 E -0 7
7 .7 E -0 7
7 .9 E -0 7
7 .2 E -0 7
6 .4 E -0 7
5 5607
4 .7 E -0 7
4 .0 E -0 7
34607
2 .9 6 -0 7
2 0 .5
5 .6 E -0 7
8. IE -0 7
8. IE -0 7
7 .5 E -0 7
6 .6 E -0 7
5 7607
4 .8 E -0 7
4 .1 E 0 7
3 .5 E -0 7
3 .0 E O 7
2 1 .0
6 .0 E -0 7
8 .4 E -0 7
8 .4 E -0 7
7 .7 E -0 7
6 .8 E -0 7
5 .8 E -0 7
5 0607
4 .2 E -0 7
3 6607
3 .1 6 -0 7
76
Case I - Predicted detachment velocity (Figure 9).
Predicted
time
[day]
4.0
4.5
5.0
5.5
6.0
6.5
7.0
7.5
8.0
8.5
9.0
9.5
10.0
10.5
11.0
11.5
12.0
12.5
13.0
13.5
14.0
14.5
15.0
15.5
16.0
16.5
17.0
17.5
18.0
18.5
19.0
19.5
20.0
20.5
21.0
section I
[m/dl
2.8E-11
5.8E-11
1.1E-10
2.0E-10
3.5E-10
5.SE-10
9.0E-10
1.4E-09
1.9E-09
2.7E-09
3.5E-09
4.5E-09
5.5E-09
6.2E-09
6.9E-09
7.8E-09
8.8E-09
9.9E-09
1.1E-08
1.2E-08
1.4E-08
1.5E-08
1.6E-08
1.8E-08
1.9E-08
2.1E-08
2.2E-08
2.4E-08
2.5E-08
2.6E-08
2.7E-08
2.7E-08
2.8E-08
2.8E-08
2.9E-08
section 2
[m/d]
2.8E-11
6.0E-11
1.2E-10
2.3E-10
4.1E-10
7.1E-10
1.2E-09
1.8E-09
2.7E-09
3.9E-09
5.4E-09
7.0E-09
8.8E-09
I .OE 08
1.2E-08
1.3E-08
1.4E-08
1.6E-08
1.6E-08
1.7E-08
1.6E-08
1.4E-08
1.3E-08
1.1E-08
1.0E-08
9.1E-09
7.9E-09
6.2E-09
4.8E-09
4.0E-09
3.4E-09
2.8E-09
2.3E-09
1.9E-09
1.6E-09
section 3
[m/d]
2.8E-11
6.IE -II
1.3E-10
2.5E-10
4.6E-10
8.3E-10
I.4E-09
2.2E-09
3.4E-09
4.9E-09
6.7E-09
8.5E-09
1.0E-08
1.1E-08
1.1E-08
9.4E-09
7.4E-09
5.6E-09
3.9E-09
2.6E-09
1.7E-09
1.0E-09
6.3E-10
4.8E-I0
3.7E-10
2.7E-10
2.0E-10
1.3E-10
8.9E-11
7.1E -II
5.7E-11
4.4E-11
3.4E-11
2.7E-11
2.2E-11
section 4
[m/d]
2.8E-11
6.3E-11
1.3E-10
2.7E-10
5.1E-10
9.3E-10
1.6E-09
2.6E-09
3.9E-09
5.4E-09
6.6E-09
6.7E-09
5.6E-09
3.8E-09
2.3E-09
1.1E-09
4.8E-10
2.6E-10
1.4E-10
8.0E-11
4.8E-11
2.5E-11
1.4E-11
1.0E-11
7.9E-12
5.4E-12
3.7E-12
2.3E-12
I.4E-12
1.1E-12
8.4E-13
6.2E-13
4.7E-13
3.6E-13
2.8E-13
section 5
[m/d]
2.8E-11
6.4E-11
1.4E-10
2.8E-10
5.5E-10
1.0E-09
1.8E-09
2.9E-09
4.0E-09
4.6E-09
3.6E-09
1.7E-09
6.8E-10
2.9E-10
1.3E-10
4.6E-11
1.8E-11
8.3E-12
4.0E-12
2.2E-12
1.3E-12
6.2E-13
3.2E-13
2.3E-13
1.7E-13
1.1E-13
7.2E-14
4.1E-14
2.3E-14
1.7E-14
1.3E-14
9.5E-15
6.9E-15
5.2E-15
3.9E-15
section 6
[m/d]
2.8E-11
6.5E-11
1.4E-10
3.0E-10
5.9E-10
I .IE 09
1.9E-09
3.0E-09
3.4E-09
2.0E-09
5.5E-10
1.4E-10
4.4E-11
1.6E-11
6.6E-12
2.0E-12
6.6E-13
2.8E-13
1.2E-13
6.5E-14
3.6E-14
I.6E-14
8.1E-15
5.7E-15
4.2E-15
2.5E-15
1.6E-15
8.2E-16
4.3E-16
3.2E-16
2.4E-16
1.7E-16
1.2E-16
8.4E-17
6.2E-17
section 7
[m/d]
2.8E-11
6.5E-11
1.5E-10
3.1E-10
6.2E-10
1.2E-09
2.0E-09
2.9E-09
1.7E-09
2.9E-10
4.SE-11
I 0E-11
2.8E-12
9.4E-13
3.5E-13
9.2E-14
2.7E-14
1.1E-14
4.3E-15
2.2E-15
I .IE-15
4.9E-16
2.3E-16
1.6E-16
1.1E-16
6.6E-17
3.9E-17
1.9E-17
9.3E-18
6.7E-18
4.9E-18
3.3E-18
2.3E-18
1.6E-18
1.1E-18
section 8
[m/d]
2.8E-11
6.6E-11
1.5E-10
3.2E-10
6.4E-10
1.2E-09
2.0E-09
2.5E-09
3.3E-10
2.9E-11
4.2E-12
7.7E-13
1.9E-13
6.0E-14
2.1E-14
4.8E-15
1.3E-15
4.6E-16
1.7E-16
8.2E-17
4.2E-17
1.7E-17
7.6E-18
5.2E-18
3.7E-18
2.0E-18
1.1E-18
5.0E-19
2.3E-19
1.6E-19
1.2E-19
7.7E-20
5.1E-20
3.5E-20
2.4E-20
section 9
[m/d]
2.8E-11
6.7E-11
I.SE-10
3.3E-10
6.6E-10
1.2E-09
2.0E-09
1.6E-09
4.0E-11
2.9E-12
3.8E-13
6.4E-14
I.SE-14
4.2E-15
1.4E-15
2.8E-16
6.7E-17
2.2E-17
7.7E-18
3.6E-18
1.8E-18
6.8E-19
2.9E-19
1.9E-19
1.3E-19
6.9E-20
3.7E-20
1.6E-20
6.7E-21
4.6E-21
3.3E-21
2.1E-21
1.3E-21
8.9E-22
6.1E-22
77
Case I - Predicted attachment velocity (Figure 10).
P re d ic te d
tim e
section I
section 2
section 3
section 4
section 5
section 6
section 7
se ctio n 8
section 9
fdayl
[m /dl
fm /d l
fm /d]
[m/d]
fm /dl
fm /dl
fm /dl
fm /d]
fm /dl
effluent
fm /d]
4 .0
4.5E -21
1.1E-21
1.1E-21
I . I E -2 1
1.1E-21
1.1E-21
I . IE-21
1.1E-21
1.1E-21
-4.3E -22
4.5
1.6E -10
3 OE-IO
4 .2 E -1 0
5.2 E -1 0
6 .1 E -1 0
6. S E -10
7 .5E -10
8.O E -10
8 .5E -10
8.9E -10
5.0
3 .1 E -1 0
6 .0 E -1 0
8 .5E -10
1.1E-09
1.3E-09
1.4E -09
1.6E -09
1.7E -09
1.9E -09
2 .0 E -0 9
5.5
5 .7 E -1 0
1.1E-09
1.6E-09
2.1 E -0 9
2 .5 E -0 9
2 .9 E -0 9
3 .3E -09
3 .6 E -0 9
3 .9E -09
4 .1E -09
6 .0
1.0E -09
2 .0 E -0 9
3 .0E -09
4 .8 E -0 9
5 .6 E -0 9
6 .4 E -0 9
7 .1 E -0 9
7 .7 E -0 9
8 .3E -09
6.5
1.6E -09
3.3 E -0 9
5 .1 E -0 9
3.9 E -0 9
6.8 E -0 9
8.5E -09
1.0E-08
1.2E-08
1.3E -08
1.4E-08
1.5E-08
7.0
7.5
2 .5 E -0 9
3 .9 E -0 9
5.3 E -0 9
8.5 E -0 9
8 .3E -09
1.4E-08
I.1 E -0 8
1.4E-08
2 .2 E -0 8
3 .3 E -0 8
2 .5E -08
2 .4 E -0 8
2 .0 E -0 8
3 IE -08
2 .4E -08
1.9E-08
I.7 E -0 8
2 .8 E -0 8
3.1E -08
2 .7E -08
8.0
5 .9 E -0 9
1.3E-08
2 .1E -08
2.9E -08
3 .5E -08
3 .9E -08
3 .7E -08
3 .1 E -0 8
2 .5E -08
2 .0 E -0 8
8.5
9.0
7 .8 E -0 9
1.8E-08
2 .9 E -0 8
3.9 E -0 8
4 .5E -08
4 .3E -08
3 .6E -08
3 .0 E -0 8
2 .4E -08
2 .0E -08
9 .8 E -0 9
2 .3 E -0 8
3.8E -08
4.9E -08
S.1E-08
4 .3 E -0 8
3.6E -08
3 .0 E -0 8
2 .5E -08
2 .0E -08
2. IE -0 8
9.5
1.2E -08
3 .0 E -0 8
4 .8 E -0 8
5.8E -08
5.3E -08
4 .4 E -0 8
3.7E -08
3 .0 E -0 8
2 .5E -08
10.0
1.5E -08
3.7 E -0 8
5.9E -08
6.4E -08
5.5E -08
4 .5 E -0 8
3.8E -08
3 .1 E -0 8
2 .6 E -0 8
2. IE -0 8
10.5
1.7E-08
4 .2 E -0 8
6 .5 E -0 8
6.4E -08
5.4E -08
4 .5E -08
3 .7E -08
3. IE -0 8
2 .5E -08
2 .1 E -0 8
11.0
I.9 E -0 8
4 .8 E -0 8
6 .9 E -0 8
6.4 E -0 8
5.3E -08
4 .4E -08
3.7E -08
3 .0 E -0 8
2 .5 E -0 8
2 .1E -08
11.5
2 .2 E -0 8
5.5 E -0 8
7. IE -0 8
6.2 E -0 8
5. IE -0 8
4 .2E -08
3 .5E -08
2 .9 E -0 8
2 .4E -08
2.0E -08
12.0
6. IE -0 8
4 .9 E -0 8
4 .1E -08
3.4E -08
2 .8 E -0 8
2 .3E -08
1.9E-08
6.7 E -0 8
7 .1E -08
7 .0 E -0 8
6.0 E -0 8
12.5
2 .5 E -0 8
2 .8 E -0 8
5.9E -08
4 .9E -08
4 .0E -08
3.3E -08
2 .8 E -0 8
2 .3E -08
1.9E-08
13.0
3 .1E -08
7.1 E -0 8
6 .9E -08
5.8E -08
4 .8 E -0 8
4 .0 E -0 8
3.3E -08
2 .7 E -0 8
2 .3 E -0 8
1.9E-08
13.5
14.0
3 .5E -08
7 .4E -08
6 .8E -08
5.7E -08
4 .7E -08
3.2E -08
1.8E-08
7 .5E -08
6 .7E -08
5.5E -08
4 .6 E -0 8
2 .7 E -0 8
2 .7 E -0 8
2 .2 E -0 8
3 .8 E -0 8
3 .9E -08
3 .8E -08
2 .2E -08
1.8E-08
3.2E -08
14.5
4 .3 E -0 8
7 .5E -08
6 .4E -08
5.3E -08
4 .4E -08
3 .7E -08
3.0E -08
2 .5 E -0 8
2 .1 E -0 8
1.7E-08
15.0
4 .7 E -0 8
7 .4E -08
6 .2 E -0 8
5.1E -08
4 .2E -08
3 .5E -08
2 .9E -08
2 .4 E -0 8
2 .0E -08
1.6E-08
15.5
5 .1 E -0 8
7 .3 E -0 8
6 .1 E -0 8
5 .1E -08
4 .2 E -0 8
3 .5E -08
2 .9E -08
2 .4 E -0 8
2 .0E -08
1.6E-08
16.0
5 .4E -08
7 .2E -08
6. IE -0 8
5.0E -08
4 .2 E -0 8
3 .5E -08
2 .9 E -0 8
2 .4 E -0 8
2 .0E -08
1.6E-08
16.5
5 .8 E -0 8
7 .2E -08
6 .0 E -0 8
5.0E -08
4 .2 E -0 8
3.5E -08
2 .9 E -0 8
2 .4 E -0 8
2 .0E -08
1.6E-08
17.0
6. IE -0 8
7 .1E -08
6.0 E -0 8
5.0E -08
4 .2E -08
3 .5E -08
2 .9 E -0 8
2 .4 E -0 8
2 .0 E -0 8
1.7E-08
17.5
6 .5 E -0 8
7.0E -08
5.8 E -0 8
4 .9E -08
4 .1E -08
3 .4E -08
2 .8E -08
2 .3 E -0 8
1.9E-08
1.6E-08
18.0
6 .9 E -0 8
6 .9 E -0 8
5.7E -08
4 .8E -08
4 .0E -08
3 .3E -08
2 .7E -08
2 .3 E -0 8
I.9E -08
1.6E-08
18.5
7 .1 E -0 8
6 .9 E -0 8
5.7 E -0 8
4.8E -08
4 .0E -08
3.3E -08
2 .8E -08
2 .3 E -0 8
1.9E-08
1.6E-08
19.0
19.5
7 .3 E -0 8
6 .9 E -0 8
5.7 E -0 8
4.8E -08
4 .0E -08
3.4E -08
2 .8E -08
2 .3 E -0 8
1.9E-08
1.6E-08
7 .4 E -0 8
6 .8 E -0 8
5.7 E -0 8
4 .8E -08
4 .0 E -0 8
3.3E -08
2 .8E -08
2 .3 E -0 8
1.9E -08
1.6E -08
2 0 .0
7 .5 E -0 8
7 .6 E -0 8
6 .8E -08
5.7 E -0 8
4 .7E -08
4 .0 E -0 8
3.3E -08
2 .8E -08
2 .3 E -0 8
1.9E-08
1.6E-08
20.5
6 .8E -08
5.6 E -0 8
4 .7E -08
4 .0E -08
3 .3E -08
2 .8E -08
2 .3 E -0 8
1.9E-08
1.6E-08
2 1 .0
7 .7 E -0 8
6 .7 E -0 8
5.6E -08
4 .7E -08
4 .0E -08
3 .3E -08
2 .8E -08
2 .3 E -0 8
1.9E-08
1.6E-08
78
Appendix B.2
Case 2 - Biofilm detachment experiment
79
Case 2, Run I - Experimental flow rate (Figure 12).
Time
[day]
0.00
1.00
2.00
3.00
4.00
4.01
5.00
5.01
6.00
6.01
7.00
7.01
8.00
8.01
10.00
10.01
11.00
11.01
12.00
13.00
14.00
14.01
15.00
15.01
16.00
16.01
Q
[mL/min]
2.2
2.2
2.4
2.2
1.8
2.0
1.8
2.2
1.6
2.0
1.3
2.0
1.6
2.0
1.7
2.0
1.5
1.6
1.6
1.1
1.6
2.0
1.6
2.0
1.6
2.0
17.00
2.0
18.00
1.6
80
Case 2, Run I - Experimental and predicted glucose, biomass, and TOC concentration
(Figures 13, 14, and 15)
Experimental data__________________
Time
[day]
0
I
2
3
4
5
6
7
8
10
11
12
13
14
15
16
17
18
influent
glucose
[gC/m3]
2.148
2.316
2.524
2.772
2.368
2.708
2.356
2.852
2.512
2.752
2.424
1.888
2.688
2.652
2.708
2.764
2.556
2.916
glucose
[gC/m3]
0.74
0.28
0.52
0.212
0.564
0.136
0.496
0.224
0.532
0.452
0.224
0.332
0.76
0.368
0.584
0.368
0.408
0.444
effluent
biomass
[gC/m3]
0.32126
3.84975
3.01077
0.54162
0.64251
1.17351
0.9558
0.78057
1.89567
1.17351
1.39653
1.18413
1.75761
1.52928
1.65141
1.81071
2.94705
4.03029
TOC
[gC/m3]
16.38
3.09
2.13
2.49
3.05
1.62
3.2
2.56
3.13
1.88
2.44
5.51
2.59
2.81
3.04
2.29
2.29
Predicted effluent concentrations
Time
Biomass
Glucose
TOC
fd]
0.0
0.5
1.0
1.5
2.0
2.5
3.0
3.5
4.0
4.5
5.0
5.5
6.0
6.5
7.0
7.5
8.0
8.5
9.0
9.5
10.0
10.5
11.0
11.5
12.0
12.5
13.0
13.5
14.0
14.5
15.0
15.5
16.0
16.5
17.0
17.5
18.0
fflC/m3]
0.0000
0.9820
1.4883
1.5541
1.6190
1.7031
1.7876
1.6803
1.5611
1.6657
1.7792
1.6632
1.5599
1.7172
1.8859
1.7608
1.6580
1.7690
1.8962
1.8543
1.8100
1.7018
1.6012
1.4259
1.2517
1.5028
1.7556
1.7544
1.7488
1.7603
1.7877
1.7954
1.8201
1.7367
1.6738
1.7983
1.9228
[gC/m3]
2.1500
0.1212
0.0758
0.0782
0.0803
0.0785
0.0761
0.0388
0.0185
0.0295
0.0284
0.0295
0.0103
0.0164
0.0068
0.0275
0.0124
0.0387
0.0421
0.0312
0.0228
0.0213
0.0080
0.0074
0.0050
0.0035
0.0021
0.0062
0.0148
0.0275
0.0160
0.0295
0.0172
0.0434
0.0383
0.0296
0.0218
[gC/m3]
2.1500
1.1032
1.5641
1.6322
1.6993
1.7816
1.8637
1.7191
1.5796
1.6952
1.8076
1.6927
1.5701
1.7336
1.8927
1.7882
1.6703
1.8077
1.9382
1.8854
1.8328
1.7231
1.6092
1.4334
1.2567
1.5063
1.7576
1.7606
1.7635
1.7877
1.8037
1.8249
1.8373
1.7802
1.7121
1.8279
1.9446
81
Case 2, Run I - Predicted biofilm thickness profiles (Figure 16).
Biofilm thickness [m]
section 1
1.00E-06
3.93E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.OGE-OG
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06 E-OG
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
6.06E-06
section 2
1.00E-06
3.62E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24 E-OG
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
5.24E-06
section 3
1.00E-06
3.29E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46 E-OG
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46 E-OG
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
4.46E-06
section 4
1.00E-06
2.97E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
3.76E-06
section 5
1.00E-06
2.67E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
3.18E-06
section 6
1.00E-06
2.19E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
2.43E-06
section 7
1.00E-06
1.83E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95 E-OG
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
1.95E-06
82
Case 2, Run I - Predicted detachment velocity profiles (Figure 17).
Detachment velocity [m/day]
section 1 section 2
1.59E-07 1.59E-07
1.01 E-OG 8.22E-07
2.16E-06 1.56 E-06
2.20E-06 1.59E-06
2.23E-06 1.62E-06
2.26E-06 1.65E-06
2.28E-06 1.66E-06
2.18E-06 1.50E-06
2.05E-06 1.31 E-06
2.15E-06 1.45E-06
2.19E-06 1.47E-06
2.15E-06 1.45E-06
1.99E-06 1.19E-06
2.11E-06 1.34E-06
2.08E-06 1.19E-06
2.18E-06 1 46E-06
2.06E-06 1.26E-06
2.21 E-06 1.53 E-06
2.26E-06 1.58 E-06
2.22E-06 1.51 E-06
2.18E-06 1.44E-06
2.13E-06 1.39E-06
1.98E-06 1.15E-06
1.88E-06 1.07E-06
1.73E-06 9.08E-07
1.84E-06 9.43E-07
1.89E-06 9.07E-07
2.02E-06 1.14E-06
2.11 E-06 1.33E-06
2.18E-06 1.46E-06
2.14E-06 1.36 E-06
2.20E-06 1.49E-06
2.15E-06 1.38E-06
2.21E-06 1.54E-06
2.18E-06 1.50E-06
2.20E-06 1.49E-06
2.21 E-06 1.45E-06
section 3
1.59E-07
6.38E-07
1.05E-06
1.07 E-06
1.10E-06
1.11 E-06
1.12E-06
9.31 E-07
7.27E-07
8.61 E-07
8.71 E-07
8.60E-07
5.96E-07
7.29E-07
5.45E-07
8.60E-07
6.54E-07
9.46E-07
9.81 E-07
9.02 E-07
8.20E-07
7.88E-07
5.52E-07
5.04E-07
3.98E-07
3.87E-07
3.33E-07
5.21 E-07
7.09E-07
8.60E-07
7.33E-07
8.82E-07
7.52E-07
9.69E-07
9.26E-07
8.83E-07
8.14E-07
section 4
1.59E-07
4.71 E-07
6.67E-07
6.84E-07
7.00E-07
7.04 E-07
7.02E-07
5.29E-07
3.66E-07
4.68E-07
4.67 E-07
4.67E-07
2.70E-07
3.56E-07
2.22E-07
4.59E-07
3.05E-07
5.35E-07
5.56E-07
4.88E-07
4.22E-07
4.03E-07
2.38E-07
2.17E-07
1.63E-07
1.46E-07
1.12E-07
2.12E-07
3.39E-07
4.59E-07
3.54E-07
4.76E-07
3.67E-07
5.60E-07
5.26E-07
4.76E-07
4.09E-07
section 5
1.59E-07
3.33E-07
4.12E-07
4.23E-07
4.33E-07
4.31 E-07
4.25E-07
2.90E-07
1.79E-07
2.45E-07
2.40E-07
2.45E-07
1.21 E-07
1.69E-07
9.02E-08
2.35E-07
1.39E-07
2.91 E-07
3.02E-07
2.53E-07
2.09E-07
2.00E-07
1.02 E-07
9.37E-08
6.76E-08
5.59E-08
3.88E-08
8.60E-08
1.57E-07
2.35E-07
1.66E-07
2.46E-07
1.73E-07
3.11 E-07
2.87E-07
2.46E-07
1.98E-07
section 6
1.59E-07
1.72E-07
1.83E-07
1.88E-07
1.92E-07
1.88E-07
1.82E-07
1.09E-07
5.97E-08
8.78E-08
8.42E-08
8.78E-08
3.63E-08
5.38E-08
2.44E-08
8.22E-08
4.25E-08
1.08E-07
1.12E-07
8.94E-08
6.99E-08
6.69E-08
2.93E-08
2.73E-08
1.91E-08
1.44E-08
8.93E-09
2.33E-08
4.90E-08
8.21 E-08
5.23E-08
8.67E-08
5.50E-08
1.19E-07
1.08E-07
8.68E-08
6.48E-08
section 7
1.59E-07
8.74E-08
8.66E-08
8.84E-08
8.99E-08
8.67E-08
8.27E-08
4.50E-08
2.24E-08
3.47E-08
3.27E-08
3.48E-08
1.26E-08
1.94E-08
7.75E-09
3.18E-08
1.49E-08
4.42 E-08
4.58E-08
3.49E-08
2.62E-08
2.51 E-08
9.75E-09
9.25E-09
6.34E-09
4.36E-09
2.46E-09
7.35E-09
1.74E-08
3.18E-08
1.87E-08
3.38E-08
1.98E-08
4.96E-08
4.45E-08
3.38E-08
2.40E-08
83
Case 2, Run 2 - Experimental flow rate (Figure 18).
Time
[day]
0
1
2
3
4
5
6
7
8
9
10
Q
fmL/min]
6.10
6.10
3.40
2.63
2.13
2.60
2.47
2.40
1.93
2.00
2.00
84
Case 2, Run 2 - Experimental and predicted glucose, biomass, and TOC concentration
(Figures 19, 20, 21)
Experimental data
influent
glucose
Time
[gC/m3]
[day]
0
6.42
6.42
1
2
5.34
5.17
3
4
5.09
5
5.20
6
4.68
7
4.76
5.12
8
4.84
9
4.47
10
effluent
glucose biomass TOC
fgC/m3]
[gC/m3] [gC/m3]
6.67
0.127
13.81
6.67
6.20
0.353
4.18
0.314
6.11
3.80
1.06
0.765
1.896
3.80
1.23
3.84
1.20
2.336
2.347
3.98
1.01
2.92
1.540
1.28
4.00
1.11
1.678
3.78
1.938
4.08
1.18
1.949
Predicted effluent concentrations
Biomass Glucose
Time
fgC/mS]
[gC/m3]
fdl
0.0000
6.4200
1.0
0.0504
5.6503
1.5
0.4430
3.6566
2.0
1.4029
1.1818
2.5
1.3087
1.3533
3.0
1.2687
1.5223
3.5
1.2287
1.6913
4.0
1.2836
4.5
1.6915
1.3386
1.6915
5.0
1.0789
1.6915
5.5
0.8188
1.6915
6.0
0.8585
1.6915
6.5
0.8985
1.6915
7.0
1.0783
1.6915
7.5
1.2584
1.6915
8.0
1.1188
1.6915
8.5
0.9788
1.6915
9.0
0.7938
1.6915
9.5
0.6087
1.6915
10.0
TOC
[gC/m3]
6.4200
5.7007
4.0996
2.5847
2.6620
2.7910
2.9200
2.9751
3.0301
2.7704
2.5103
2.5500
2.5900
2.7698
2.9498
2.8103
2.6703
2.4853
2.3002
85
Case 2, Run 2 - Predicted biofilm thickness and detachment velocity profiles.
Biofilm thickness [m]
section 1
1.00E-08
8.48E-08
4.76E-07
1.77E-06
4.33E-06
6.95E-06
7.95E-06
7.95E-06
7.95E-06
7.95E-06
7.95E-06
7.95E-06
7.95E-06
7.95E-06
7.95E-06
7.95E-06
7.95E-06
7.95E-06
7.95E-06
section 2
1.00E-08
8.47E-08
4.74E-07
1.72E-06
3.82E-06
4.93E-06
5.11 E-06
5.11 E-06
5.11 E-06
5.11 E-06
5.11 E-06
5.11 E-06
5.11 E-06
5.11 E-06
5.11 E-06
5.11 E-06
5.11 E-06
5.11 E-06
5.11 E-06
section 3
1.00E-08
8.47E-08
4.71 E-07
1.67E-06
3.08E-06
3.25E-06
3.26E-06
3.26E-06
3.26E-06
3.26E-06
3.26E-06
3.26E-06
3.26E-06
3.26E-06
3.26E-06
3.26E-06
3.26E-06
3.26E-06
3.26E-06
section 4
1.00E-08
8.47E-08
4.69E-07
1.60E-06
2.35E-06
2.37E-06
2.37E-06
2.37E-06
2.37E-06
2.37E-06
2.37E-06
2.37E-06
2.37E-06
2.37E-06
2.37E-06
2.37E-06
2.37 E-06
2.37E-06
2.37E-06
section 5 section 6 section 7
1.00E-08 1.00E-08 1.00E-08
8.46E-08 8.45E-08 8.44E-08
4.66E-07 4.61 E-07 4.55E-07
1.52E-06 1.33E-06 1.09E-06
1.87E-06 1.40E-06 1.10E-06
1.87 E-06 1.40E-06 1.10E-06
1.87E-06 1.40E-06 1.10E-06
1.87E-06 1.40E-06 1.10E-06
1.87E-06 1.40E-06 1.10E-06
1.87 E-06 1.40E-06 1.10E-06
1.87 E-06 1.40E-06 1.10E-06
1.87E-06 1.40E-06 1.10E-06
1.87E-06 1.40E-06 1.10E-06
1.87E-06 1.40E-06 1.10E-06
1.87E-06 1.40E-06 1.10E-06
1.87E-06 1.40E-06 1.10E-06
1.87E-06 1.40E-06 1.10E-06
1.87E-06 1.40E-06 1.10E-06
1.87 E-06 1.40E-06 1.10E-06
Detachment velocity [m/day]
section 1
1.95E-09
2.05E-08
1.35E-07
5.73E-07
1.47E-06
2.21 E-06
2.42E-06
2.60E-06
2.76E-06
2.67E-06
2.56E-06
2.55E-06
2.54E-06
2.42E-06
2.26E-06
2.27E-06
2.28E-06
2.24E-06
2.20E-06
section 2
1.95E-09
2.04E-08
1.34E-07
5.35E-07
9.53E-07
5.08E-07
2.97E-07
4.12E-07
5.48E-07
5.52E-07
5.62E-07
5.33E-07
5.03E-07
3.38E-07
2.09E-07
2.40E-07
2.76E-07
3.09E-07
3.47E-07
section 3
1.95E-09
2.04E-08
1.32E-07
4.88E-07
2.69E-07
3.41 E-08
1.46E-08
2.36E-08
3.68E-08
4.02E-08
4.69E-08
4.16E-08
3.69E-08
1.83E-08
8.86E-09
1.10E-08
1.39E-08
1.76E-08
2.37E-08
section 4
1.95E-09
2.04 E-08
1.30E-07
4.30E-07
2.86E-08
2.35E-09
9.01E-10
1.58E-09
2.68E-09
3.10E-09
3.98E-09
3.39E-09
2.90E-09
1.20E-09
4.91E-10
6.47E-10
8.77E-10
1.22E-09
1.86E-09
section 5 section 6 section 7
1.95E-09 1.95E-09 1.95E-09
2.04E-08 2.03E-08 2.03E-08
1.29E-07 1.25E-07 1.21 E-07
3.53E-07 1.49E-07 2.38E-08
2.83E-09 1.75E-10 1.40E-11
2.06E-10 1.17E-11 8.60E-13
7.21 E-11 3.73E-12 2.51 EE-13
1.37E-10 7.71 IE-12 5.63E-13
2.50E-10 1.51 IE-11 1.18E-12
3.04E-10 1.94E-11 1.60E-12
4.25E-10 2.96E-11 2.67E-12
3.51 EE-10 2.37E-11 2.07E-12
2.91 EE-10 1.90E-11 1.61E-12
1.02E-10 5.63E-12 4.03E-13
3.56E-11 1.67E-12 1.02E-13
4.97E-11 2.47E-12 1.60E-13
7.21 EE-11 3.84E-12 2.66E-13
1.09E-10 6.35E-12 4.81E-13
1.89E-10 1.25E-11 1.07E-12
86
Appendix B.3
Case 3 - Flat plate VPBR experiment
87
Case 3, Run I - Predicted concentration profiles o f toluene, oxygen, and intermediates
(Figure 24) and X % X+", and X" cells (Figure 25).
Port 2
z'
0
0.062512
0.187512
0.312439
0.437561
0.562439
0.687561
0.812439
0.937561
1
Toluene
X+'
X
X++
0.035 0.02584
0 0.005948 0.03905
2.58E-05 0.01749 0.02939 0.03312 0.02584
7.75E-05 0.04059 0.01007 0.02935 0.02929
0.000129 0.05616 0.00562 0.01822 0.04181
0.000181
0.06629 0.00388 0.009834 0.07218
0.1387
0.000232 0.07217 0.002957 0.004876
0.002405
0.2796
0.000284 0.07518 0.002414
0.5718
0.000336 0.07664 0.002099 0.001262
1.159
0.000387 0.07732 0.001948 0.000737
1.718
0.000413 0.07765 0.001874 0.000475
Z
Oxygen Intermediates
2.859
0.2165
2.859
0.2165
0.2778
2.935
3.112
0.4016
0.5713
3.393
0.7604
3.784
0.9396
4.298
1.079
4.97
1.141
5.869
6.491
1.108
Port 5
Toluene Oxygen Intermediates
X
X++
X+"
Z
0.2691
4.27
0
0 0.001983 0.03214 0.04587 0.05787
0.2691
4.27
0.04 0.05787
0.062508 2.00E-05 0.01477 0.02523
0.328
4.326
0.187492 6.00E-05 0.04036 0.01139 0.02825 0.06176
0.4299
4.446
0.312477 9.99E-05 0.05981 0.006496 0.01369 0.07697
0.5477
4.631
0.113
0.437461 0.00014 0.06973 0.004278 0.005995
0.6608
0.1844
4.884
0.003154
0.002793
0.562539 0.00018 0.07405
0.7549
5.215
0.3161
0.687617 0.00022 0.07601 0.002539 0.001454
0.8169
0.5504
5.646
0.812383 0.00026 0.07696 0.00219 0.000848
0.8307
0.9564
6.209
0.0003 0.07745 0.002003 0.000552
0.937461
0.8028
1.297
6.583
1 0.00032 0.07769 0.00191 0.000403
Z1
Port 8
Z'
0
0.062511
0.187532
0.312554
0.437446
0.562554
0.687661
0.812768
0.937875
1
Z
0
1.46E-05
4.38E-05
7.30E-05
0.000102
0.000131
0.000161
0.00019
0.000219
0.000233
X++
-0.00274
0.01479
0.04984
0.06845
0.07372
0.07573
0.07671
0.07725
0.07757
0.07773
X"
Toluene Oxygen Intermediates
X+
0.3252
0.1095
5.378
0.02446 0.05828
0.3252
5.378
0.1095
0.02118 0.04404
0.3675
5.414
0.1134
0.0146 0.01556
0.4187
5.482
0.1308
0.00749 0.00406
0.4624
0.1696
5.586
0.004653 0.001624
0.4934
5.729
0.2378
0.003404 0.00087
0.508
5.918
0.3479
0.002744 0.00055
0.5021
6.161
0.5184
0.00236 0.00039
0.4701
6.472
0.0003
0.776
0.002132
0.4373
6.671
0.9666
0.002018 0.000255
88
Case 3, Run 2 - Predicted concentration profiles o f toluene, oxygen, and intermediates
(Figure 26) and X % X+', and X cells (Figure 27).
Port 2
Z
Z'
0
0.062476
0.187404
0.312425
0.437361
0.562296
0.687232
0.812168
0.937446
0
7.29E-05
0.000219
0.000365
0.00051
0.000656
0.000802
0.000948
0.001094
1 0.001167
X++
0.04819
0.0517
0.05872
0.0627
0.06554
0.06777
0.06961
0.07118
0.07285
0.07381
X+0.02502
0.02182
0.01542
0.01179
0.009199
0.007171
0.005492
0.004066
0.003527
0.003295
Toluene
X"
0.006787
1.826
1.826
0.006478
1.826
0.00586
0.005509
1.826
0.005259
1.826
0.005063
1.826
1.827
0.004901
1.851
0.004751
4.314
0.00362
0.002898
9.914
Oxygen Intermediates
18.7
1.27E-15
18.7
1.27E-15
18.53
1.73E-13
18.2
2.62E-11
17.71
4.17E-09
6.88E-07
17.05
0.000117
16.22
0.02004
15.23
13.77
1.986
5.931
12.19
X++
0.05694
0.05902
0.06317
0.0654
0.06693
0.06811
0.06907
0.07038
0.07418
0.07605
X+0.01511
0.01322
0.009429
0.007402
0.006003
0.004929
0.004056
0.003395
0.003402
0.003422
Toluene
X
0.007947
0.9465
0.007764
0.9465
0.9465
0.007398
0.007203
0.9465
0.007067
0.9466
0.006964
0.9466
0.00687
0.9499
1.207
0.00623
3.882
0.002421
8.042
0.000532
Oxygen Intermediates
11.46
6.98E-13
11.46
6.98E-13
5.61E-11
11.35
11.13
4.79E-09
10.81
4.19E-07
10.37
3.72E-05
9.826
0.003337
9.177
0.268
8.294
2.772
7.219
5.929
X++
0.06293
0.06378
0.06547
0.06633
0.06694
0.06774
0.07192
0.07499
0.07553
0.07578
X+'
0.008579
0.007809
0.006268
0.005477
0.004941
0.004509
0.003896
0.003382
0.003443
0.003486
Toluene
X
0.008491
0.3564
0.3564
0.008416
0.3564
0.008267
0.3564
0.00819
0.008123
0.3569
0.007748
0.3713
0.004186
0.6038
1.494
0.001631
0.001024
3.853
6.334
0.000731
Oxygen Intermediates
5.362
3.30E-08
5.362
3.30E-08
9.56E-07
5.313
5.214
2.90E-05
5.066
0.000886
4.873
0.02633
0.4236
4.69
4.366
1.592
3.632
3.925
2.934
5.955
Port 5
Z1
Z
0
0.062496
0.18752
0.312533
0.437546
0.562454
0.687467
0.81248
0.937493
1
0
5.93E-05
0.000178
0.000297
0.000415
0.000534
0.000652
0.000771
0.000889
0.000949
Port 8
Z'
0
0.062496
0.187441
0.312402
0.43752
0.56248
0.687441
0.812402
0.937363
1
Z
0
3.99E-05
0.00012
0.0002
0.000279
0.000359
0.000439
0.000519
0.000599
0.000639
89
Appendix B.4
Case 4 - Bench-scale VPBR experiment
90
Case 4, Run I - Experimental vapor phase toluene concentration profiles and degradation
rate. (Figures 28 and 29).
Time
[d]
1
10
17
36
38
51
52
Influent toluene
[ppm]
150
150
147
149
144
151
152
Middle toluene
[ppm]
Effluent toluene
[ppm]
Degradation
[g/day]
38.5
41.2
31.5
29.5
32.4
29
24.6
20.7
17.2
18.7
17.3
0.602
0.583
0.589
0.568
0.597
0.601
91
Case 4, Run I - Predicted vapor phase toluene concentration profiles and degradation rate
(Figures 28 and 29).
Time
[day]
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
G asl
[ppm]
150.0
72.25
64.35
62.55
61.96
61.73
61.62
61.57
61.54
61.53
61.35
61.17
60.99
60.82
60.64
60.47
60.31
60.35
60.39
60.44
60.48
60.53
60.57
60.61
60.65
60.70
60.74
60.78
60.82
60.87
60.91
60.95
60.99
61.04
61.08
61.12
60.08
59.06
59.31
59.54
59.76
59.98
60.20
60.42
60.63
60.85
61.07
61.29
61.50
61.72
61.94
62.34
62.34
Toluene concentration in vapor phase
Gas2
Gas3
[ppm]
[ppm]
150.0
150.0
40.08
24.98
32.92
20.58
30.98
19.82
19.79
30.20
29.82
19.95
29.62
20.15
29.50
20.34
29.43
20.51
20.64
29.38
29.27
20.70
29.18
20.75
29.11
20.80
29.04
20.83
28.97
20.86
20.87
28.91
20.89
28.85
20.96
28.89
28.92
21.01
28.94
21.05
21.07
28.95
28.97
21.09
21.10
28.98
28.99
21.11
21.12
29.00
29.02
21.13
21.14
29.03
29.04
21.14
21.14
29.05
29.06
21.15
29.08
21.15
29.09
21.15
29.10
21.16
21.16
29.11
21.16
29.13
29.14
21.16
20.84
28.67
20.61
28.27
20.83
28.48
20.97
28.63
28.74
21.06
21.12
28.83
21.17
28.91
21.20
28.98
29.05
21.23
29.12
21.25
21.27
29.19
29.25
21.29
29.32
21.31
21.33
29.38
21.34
29.45
21.41
29.60
21.34
29.55
Gas4
[ppm]
150.0
16.86
14.63
14.84
15.45
16.07
16.62
17.09
17.48
17.80
18.02
18.20
18.36
18.50
18.61
18.71
18.79
18.92
19.02
19.10
19.16
19.21
19.26
19.30
19.34
19.37
19.40
19.42
19.45
19.47
19.49
19.51
19.52
19.54
19.55
19.57
19.28
19.10
19.32
19.47
19.57
19.63
19.68
19.72
19.75
19.77
19.79
19.81
19.83
19.84
19.85
19.91
19.85
Degradation
rate
[g tol/day]
0.551
0.551
0.551
0.551
0.551
0.551
0.551
0.551
0.551
0.551
0.552
0.552
0.553
0.554
0.555
0.556
0.557
0.558
0.560
0.561
0.563
0.564
0.565
0.567
0.568
0.570
0.571
0.573
0.574
0.575
0.577
0.578
0.580
0.581
0.582
0.584
0.580
0.577
0.579
0.581
0.583
0.585
0.587
0.589
0.591
0.592
0.594
0.596
0.598
0.600
0.602
0.613
0.613
92
Case 4, Run I - Predicted concentration profiles o f toluene, oxygen, and intermediates
(Figure 30) and X % X+', and X cells (Figure 31) at day 50.
Section 1
X++
0.03809
0.04839
0.06899
0.07370
0.07553
0.07647
0.07703
0.07738
0.07761
0.07772
Volume fraction of cells
X+0.04185
0.03154
0.01091
0.00619
0.00436
0.00341
0.00285
0.00250
0.00227
0.00216
X0.00006
0.00007
0.00010
0.00011
0.00011
0.00012
0.00012
0.00012
0.00012
0.00012
Toluene
[q/m3]
0.151
0.151
0.160
0.184
0.226
0.289
0.381
0.509
0.684
0.802
Oxygen
[g/m3]
6.011
6.011
6.024
6.056
6.110
6.188
6.294
6.431
6.605
6.714
X++
0.06326
0.06510
0.06877
0.07096
0.07246
0.07357
0.07440
0.07505
0.07557
0.07579
Volume fraction of cells
X+0.01664
0.01481
0.01113
0.00894
0.00743
0.00633
0.00549
0.00484
0.00432
0.00409
X0.00009
0.00010
0.00010
0.00010
0.00011
0.00011
0.00011
0.00011
0.00011
0.00011
Toluene
[g/m3]
0.291
0.291
0.294
0.301
0.311
0.325
0.342
0.365
0.391
0.407
Oxygen
[g/m3]
6.729
6.729
6.732
6.738
6.748
6.761
6.778
6.799
6.824
6.838
X++
0.07105
0.07109
0.07116
0.07129
0.07146
0.07165
0.07186
0.07208
0.07230
0.07229
Volume fraction of cells
X+0.00884
0.00881
0.00873
0.00860
0.00844
0.00824
0.00803
0.00781
0.00759
0.00760
X0.00011
0.00011
0.00011
0.00011
0.00011
0.00011
0.00011
0.00011
0.00011
0.00011
Toluene
[g/m3]
0.327
0.327
0.327
0.327
0.328
0.329
0.330
0.332
0.333
0.334
Oxygen
[g/m3]
6.886
6.886
6.886
6.887
6.888
6.888
6.890
6.891
6.892
6.893
X++
0.06839
0.06840
0.06842
0.06846
0.06852
0.06860
0.06869
0.06879
0.06890
0.06896
Volume fraction of cells
X+0.01151
0.01150
0.01148
0.01144
0.01138
0.01130
0.01121
0.01111
0.01100
0.01094
X0.00010
0.00010
0.00010
0.00010
0.00010
0.00010
0.00010
0.00010
0.00010
0.00010
Toluene
[g/m3]
0.327
0.327
0.327
0.327
0.327
0.327
0.327
0.327
0.327
0.327
Oxygen
[g/m3]
6.909
6.909
6.909
6.909
6.909
6.909
6.909
6.909
6.909
6.909
Z
[m]
0
1.21E-05
3.63E-05
6.06E-05
8.48E-05
1.09E-04
1.33E-04
1.58E-04
1.82E-04
1.94E-04
Section 2
Z
[m]
0
4.41 E-06
1.32E-05
2.20E-05
3.09E-05
3.97E-05
4.85E-05
5.73E-05
6.61 E-05
7.05E-05
Section 3
Z
[m]
0
1.10E-06
3.31 E-06
5.51 E-06
7.72E-06
9.92E-06
1.21E-05
1.43E-05
1.65E-05
1.76E-05
Section 4 - Effluent
Z
[m]
0
1.84E-07
5.52E-07
9.21 E-07
1.29E-06
1.66E-06
2.03E-06
2.39E-06
2.76E-06
2.95E-06
93
Case 4, Run 2 - Experimental vapor phase toluene concentration profiles and degradation
rate. (Figures 32 and 33).
Time
[d]
0
4
8
10
18
20
37
39
43
45
49
53
Influent toluene
fP P m ]
434.5
597.0
758.8
802.0
800.7
869.6
811.6
785.4
779.3
691.8
739.2
774.0
Effluent toluene
[ppm]
230
215
319
282
229
274
227
228
242
199
220
219
Degradation
[fl/day]
1.783
2.432
2.640
2.645
2.912
2.691
2.583
2.542
2.199
2.341
2.499
94
Case 4, Run 2 - Predicted vapor phase toluene concentration profiles and degradation rate
(Figures 32 and 33).
Time
[day]
0
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
Gasl
[ppm]
434.5
342.8
323.4
322.1
331.4
344.5
359.2
374.8
391.2
398.6
407.7
406.1
405.9
405.8
405.7
405.7
405.6
405.5
405.4
423.0
438.7
434.9
433.2
431.6
430.0
428.5
426.9
425.4
423.8
422.3
420.8
419.2
417.7
416.2
414.6
413.1
411.6
410.1
403.6
397.8
397.9
397.3
396.7
395.9
374.1
355.5
365.0
370.3
375.2
380.1
383.5
387.1
390.8
394.5
Toluene concentration in vapor phase
Gas3
Gas2
[ppm]
[ppm]
434.5
434.5
260.0
209.5
201.0
239.2
239.3
208.3
218.2
246.1
252.9
225.6
258.3
230.5
233.6
262.7
235.7
266.6
232.7
264.8
232.8
266.1
228.4
261.9
227.6
261.0
227.5
260.7
227.6
260.6
227.6
260.6
227.7
260.6
227.8
260.5
227.8
260.5
236.0
270.5
238.7
275.8
231.6
269.6
229.8
268.1
267.5
229.1
228.7
267.0
228.4
266.5
228.2
266.0
228.1
265.6
228.0
265.1
264.7
227.8
227.7
264.3
227.6
263.8
263.4
227.5
227.5
263.0
227.4
262.5
227.3
262.1
227.2
261.7
227.1
261.2
224.9
258.1
224.1
256.2
226.2
257.8
226.6
258.0
226.8
257.9
226.8
257.6
217.1
245.6
213.8
239.2
225.2
250.1
228.1
253.2
229.4
255.0
230.2
256.5
229.9
256.8
230.0
257.6
230.2
258.5
230.4
259.4
Gas4
[ppm]
434.5
176.8
180.2
192.9
205.1
213.6
219.0
222.2
224.3
221.4
221.7
217.8
217.4
217.7
218.1
218.5
218.8
219.1
219.3
227.3
229.7
222.6
221.0
220.4
220.2
220.1
220.1
220.1
220.1
220.1
220.1
220.2
220.2
220.2
220.3
220.3
220.3
220.3
218.3
217.7
219.9
220.4
220.6
220.7
211.4
208.5
219.9
222.9
224.1
224.8
224.5
224.6
224.7
224.9
Degradation
rate
[g tol/day]
0.931
1.133
1.334
1.536
1.738
1.804
1.870
1.935
2.001
2.184
2.366
2.395
2.425
2.454
2.484
2.513
2.542
2.572
2.601
2.656
2.710
2.707
2.704
2.701
2.698
2.695
2.693
2.690
2.687
2.684
2.681
2.678
2.675
2.672
2.669
2.666
2.663
2.660
2.598
2.536
2.514
2.491
2.468
2.445
2.344
2.242
2.272
2.302
2.333
2.363
2.403
2.444
2.485
2.525
95
Case 4, Run 2 - Predicted concentration profiles o f toluene, oxygen, and intermediates
(Figure 34) and X % X+", and X cells (Figure 35) at day 50.
Section 1
X++
0.07471
0.07472
0.07473
0.07473
0.07470
0.07464
0.07453
0.07438
0.07419
0.07410
Volume fraction of cells
X+0.00505
0.00504
0.00502
0.00501
0.00502
0.00506
0.00514
0.00526
0.00543
0.00550
X0.00024
0.00024
0.00025
0.00026
0.00028
0.00030
0.00033
0.00036
0.00039
0.00040
Toluene
[g/m3]
3.045
3.045
3.116
3.260
3.477
3.771
4.144
4.599
5.141
5.456
Oxygen
[g/m3]
4.292
4.292
4.349
4.463
4.634
4.865
5.157
5.510
5.928
6.169
X++
0.07472
0.07472
0.07472
0.07471
0.07471
0.07470
0.07469
0.07468
0.07466
0.07466
Volume fraction of cells
X+0.00499
0.00499
0.00500
0.00500
0.00500
0.00501
0.00501
0.00502
0.00503
0.00504
X0.00029
0.00029
0.00029
0.00029
0.00029
0.00029
0.00030
0.00030
0.00031
0.00031
Toluene
[g/m3]
3.648
3.648
3.657
3.676
3.704
3.742
3.789
3.846
3.912
3.950
Oxygen
[g/m3]
6.375
6.375
6.382
6.397
6.419
6.448
6.484
6.527
6.578
6.607
X++
0.07470
0.07470
0.07470
0.07470
0.07470
0.07470
0.07470
0.07470
0.07470
0.07470
Volume fraction of cells
X+0.00500
0.00500
0.00500
0.00500
0.00500
0.00500
0.00500
0.00500
0.00500
0.00501
X0.00029
0.00029
0.00029
0.00029
0.00029
0.00029
0.00029
0.00029
0.00029
0.00029
Toluene
[g/m3]
3.741
3.741
3.742
3.742
3.744
3.745
3.748
3.750
3.753
3.755
Oxygen
[g/m3]
6.786
6.786
6.786
6.787
6.788
6.789
6.791
6.793
6.795
6.796
X++
0.07471
0.07471
0.07471
0.07471
0.07471
0.07471
0.07471
0.07471
0.07471
0.07471
Volume fraction of cells
X+0.00500
0.00500
0.00500
0.00500
0.00500
0.00500
0.00500
0.00500
0.00500
0.00500
X0.00029
0.00029
0.00029
0.00029
0.00029
0.00029
0.00029
0.00029
0.00029
0.00029
Toluene
[g/m3]
3.725
3.725
3.725
3.725
3.725
3.725
3.725
3.725
3.726
3.726
Oxygen
[g/m3]
6.842
6.842
6.842
6.842
6.842
6.842
6.842
6.842
6.842
6.842
Z
[m]
0
7.86E-06
2.36E-05
3.93E-05
5.50E-05
7.08E-05
8.65E-05
1.02E-04
1.18E-04
1.26E-04
Section 2
Z
[m]
0
2.73E-06
8.18E-06
1.36E-05
1.91 E-05
2.45E-05
3.00E-05
3.54E-05
4.09E-05
4.36E-05
Section 3
Z
[m]
0
5.80E-07
1.74E-06
2.90E-06
4.06E-06
5.22E-06
6.38E-06
7.54E-06
8.70E-06
9.28E-06
Section 4
Z
[m]
0
6.58E-08
1.97E-07
3.29E-07
4.61 E-07
5.92E-07
7.24E-07
8.55E-07
9.87E-07
1.05E-06
96
APPENDIX C
Aquasim data files
APPENDIX C .I - AQUASIM data file for Case I
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
*****************************************************************
AQUASIM Version 1.0b - Listing of System Definition
*****************************************************************
CASE I - Washington State University porous media column biofilm
detachment experiments
Date and time of listing:
07/07/1995
08:51:52
A in:
*****************************************************************
Variables
*****************************************************************
A:
Description:
Type:
Unit:
Relative Accuracy:
Absolute Accuracy:
Concentration of acetate
Dyn. Volume State Va r .
gC/m3
le-006
le-006
ade:
Description:
Detachment velocity
coefficient
Real List Variable
Type:
Unit:
t
Argument:
Standard Deviations:
global
Rel. Stand. Deviat.:
0
Ab s . Stand. Deviat.: I
Minimum:
0
Maximum:
le+009
Interpolation Method: linear interpolation
Sensitivity Analysis: inactive
Real Data Pairs (3 pairs):
4
0. 3
10
I
21
I
AF l :
Description:
Biofilm surface area - for
length = 5.0 cm
Type:
Constant Variable
Unit:
m2
Value:
0.59965
Standard Deviation:
I
Minimum:
0
Maximum:
10
Sensitivity Analysis: active
Parameter Estimation: inactive
AF_end:
Description:
Biofilm surface area section end
A out:
Constant Variable
m2
2.998
I
0
10
inactive
inactive
Description:
Influent concentration of
acetate
Type:
Real List Variable
Unit:
gC/m3
Argument:
t
Standard Deviations: global
Rel. Stand. Deviat.,: 0
Ab s . Stand. Deviat.,: I
Minimum:
0
Maximum:
le+009
Interpolation Method: linear interpolation
Sensitivity Analysis: inactive
Real Data Pairs (7 pairs):
I
24.432
7
21.311
9
20.084
11
20.611
13
21.814
16
20.302
18
21.134
Description:
Effluent concentration of
acetate
Type:
Real List Variable
Unit:
gC/m3
Argument:
t
Standard Deviations: global
Re l . Stand. Deviat.
.: 0
A bs. Stand. Deviat..: I
Minimum:
0
Maximum:
le+009
Interpolation Method: linear interpolation
Sensitivity Analysis: inactive
Real Data Pairs (21I pairs):
I
25.69
2
25.285
3
17.415
4
21.011
5
19.124
VO
17
18
19
20
21
D A:
D_ N:
D X:
eps:
3.4092
3.5422
3.2335
3.2717
2.6644
Diffusivity of acetate in
water
Constant Variable
Type:
m2/d
Unit:
0.000107136
Value:
Standard Deviation:
I
0
Minimum:
Maximum:
10
Sensitivity Analysis: inactive
Parameter Estimation: inactive
eps_X_ini:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Description:
Diffusivity of nitrate in
water (guess)
Constant Variable
Type:
m2/d
Unit:
0.00014688
Value:
Standard Deviation:
I
Minimum:
0
Maximum:
10
Sensitivity Analysis: inactive
Parameter Estimation: inactive
f:
Diffusivity of cells
Constant Variable
m2/d
0.0001
I
0
10
inactive
inactive
Initial porosity of porous
media
Type:
Constant Variable
Unit:
0.44
Value:
Standard Deviation:
I
Minimum:
0
Maximum:
10
Sensitivity Analysis: inactive
Parameter Estimation: inactive
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Description:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Description:
kl :
Description:
Initial volume fraction of
cells in biofilm
Constant Variable
0.1
I
0
I
inactive
inactive
Ratio of diffusivity in
biofilm and in the bulk
fluid
Constant Variable
0.8
I
0
10
inactive
inactive
Type:
Unit:
Expression:
Stoichiometric factor g
acetate/g nitrate
Formula Variable
g C-acetate/g N-nitrate
0.88*0.40678/0.2258
Ka:
Description:
Type:
Unit:
Expression:
Attachment coefficient
Formula Variable
1/d
80*VB/AF1
K A :
Description:
half-saturation constant for
acetate
Formula Variable
gC/m3
10*0.40678
Type:
Unit:
Expression:
Description:
K_N:
Description:
Type:
Unit:
Expression:
lambda:
Description:
Type:
half-saturation constant for
nitrate
Formula Variable
gN/m3
1*0.2258
Liquid boundary layer mass
transfer resistance
coefficient
Constant Variable
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
m
5e-006
I
0
10
inactive
inactive
Description:
Type:
Unit:
Reference to:
Biofilm thickness
Program Variable
m
Biofilm Thickness
LFO:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Initial biofilm thickness
Constant Variable
m
le-009
I
0
le-005
inactive
inactive
LFexpl:
Description:
Experimental biofilm
thickness
Real List Variable
LF:
Type:
ITl
Unit:
t
Argument:
global
Standard Deviations:
Rel. Stand. Deviat.: 0
A b s . Stand. Deviat.: I
0
Minimum:
Maximum:
le-005
Interpolation Method: linear interpolation
Sensitivity Analysis: inactive
Real Data Pairs (I pairs):
21
4. 157e-007
Lun:
Description:
Type:
Unit:
Expression:
Axial length of unit
Formula Variable
m
0.05
muemax:
Description:
Maximum specific growth rate
of cells
Constant Variable
1/d
Type:
Unit:
Value:
Standard Deviation:
Minimum:
1 .8
I
0
Maximum:
10
Sensitivity Analysis: inactive
Parameter Estimation: active
N:
Description:
Type:
Unit:
Relative Accuracy:
Absolute Accuracy:
N_in:
Description:
Influent concentration of
nitrate
Type:
Real List Variable
Unit:
gN/m3
Argument:
t
Standard Deviations: global
Rel. Stand. Deviat.
.: 0
Ab s . Stand. Deviat.
.: I
Minimum:
0
Maximum:
le+009
Interpolation Method: linear interpolation
Sensitivity Analysis: inactive
Real Data Pairs (7 pairs):
I
10.836
7
10.783
9
9.9635
11
10.642
13
10.741
16
10.274
18
10.132
N_out:
Description:
Concentration of nitrate
Dyn. Volume State Var.
gN/m3
le-006
le-006
Effluent concentration of
nitrate
Type:
Real List Variable
Unit:
gN/m3
t
Argument:
Standard Deviations: global
Rel. Stand. Deviat .: 0
Ab s . Stand. Deviat .: I
Minimum:
0
Maximum:
le+009
Interpolation Method: linear interpolation
Sensitivity Analysis: inactive
Real Data Pairs (21 pairs):
1
10.806
2
10.781
3
12.594
4
10.562
5
10.079
Q in:
17
18
19
20
O
O
O
0
21
0
Volumetric flow rate
Description:
Real List Variable
Type:
m3/d
Unit:
t
Argument:
global
Standard Deviations:
Rel. Stand. Deviat.:
A bs. Stand. Deviat.:
Minimum:
le+009
Maximum:
Interpolation Method: linear interpolation
Sensitivity Analysis: inactive
Real Data Pairs (16 pairs):
0.002808
I
0.00288
3
4
0.00288
0.002808
6
7
0.00288
0
I
0
0.002736
0.00288
0.002808
0.00288
0.00288
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Average density of biomass
Constant Variable
gC/m3
354000
I
0
500000
inactive
inactive
t:
Description:
Type:
Unit:
Reference to:
Time
Program Variable
days
Time
uat:
Description:
Type:
Unit:
attachment velocity
Program Variable
m/d
rho X:
Attachment Velocity of
Biofilm
uB:
Description:
Type:
Unit:
Expression:
Mean bulk fluid velocity
Formula Variable
m/d
Qin*Lun/VB
ude:
Description:
Type:
Unit:
Reference to:
Detachment velocity
Program Variable
m/d
Detachment Velocity of
Biofilm
udefct:
Description:
Function for detachment
velocity calculcation
Formula Variable
m/d
if uF<0 then 0 else ade*uF
endif
Type:
Unit:
Expression:
uF:
Description:
Type:
Unit:
Reference to:
uL:
Description:
Type:
Unit:
Reference to:
VB:
Description:
Velocity of biofilm solid
matrix
Program Variable
m/d
Growth Velocity of Biofilm
Velocity of the biofilm bulk fluid interface
Program Variable
m/d
Interface Velocity of
Biofilm
Type:
Unit:
Reference to:
Volume of bulk fluid
(including liquid boundary
layer)
Program Variable
m3
Bulk Volume
X:
Description:
Type:
Unit:
Relative Accuracy:
Absolute Accuracy:
Concentration of biomass
Dyn. Volume State Var.
gC/m3
le-006
le-006
X_in:
Description:
Influent concentration of
biomass
Constant Variable
Type:
100
15
17
18
19
20
Reference to:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
X out:
Effluent concentration of
biomass
Real List Variable
Type:
gC/m3
Unit:
t
Argument:
Standard Deviations:
global
Rel. Stand. Deviat.: 0
A b s . Stand. Deviat.: I
Minimum:
0
le+009
Maximum:
Interpolation Method: linear interpolation
Sensitivity Analysis: inactive
Real Data Pairs (10 pairs):
3
0. 0378
5
0. 08673
7
0. 342938
9
I. 163775
11
I. 101825
13
I. 429275
15
0. 995625
17
0. 604013
19
0. 409313
21
0. 241163
Description:
Description:
Type:
Unit:
Expression:
*****************************************************************
Compartments
*****************************************************************
sectionl:
Mass yield of biomass per
unit mass of nitrate
Formula Variable
g C- biomass/g N-nitrate
0.15*0.531/0.2258
O
O
O
Distance from substratum
Description:
Program Variable
Type:
m
Unit:
Space Coordinate Z
Reference to:
*****************************************************************
z:
*****************************************************************
Processes
*****************************************************************
Production of biomass
Description:
biomass:
Dynamic Process
Type:
Description:
0.0 cm to 5.0 cm
Type:
Biofilm Reactor Compartment
Active Variables:
A, X, N
Active Processes:
biomass
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LFO
A(Biofilm) : A_out
N(Biofilm) : N_out
X(Biofilm) : eps_X_ini*rho_X
A(Bulk Volume) : A_out
N (Bulk Volume) : N_out
Inflow:
Qin
Input Fluxes:
Variable : Input Flux
A : Qin*A_in
N : Qin*N_in
X : Qin*X_in
Particulate Variables:
rho X
X:Density:
Ka
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Dissolved Variables:
lambda/D_A
A:Layer Resist.:
f *D_A
Diffusivity:
lambda/D_N
N :Layer Resist.:
f *D_N
Diffusivity:
confined
Reactor Type:
7.6199e-006
Reactor Volume:
rigid
Biofilm Matrix:
udefct
Detach. Velocity:
AFl
Film Surface:
O
Rate of epsFl:
Nurn. of Grid Pts:
10 (low resolution)
sectionlO:
Description:
45.0 cm to 50.0 cm
101
Y N:
Rate:
muemax*A/(K_A+A)*N/(K_N+N)*X
Stoichiometry:
Variable : Stoichiometric Coefficient
X : I
(-1/Y N)*kl
gC/m3
0
I
0
10
inactive
inactive
Layer Resist.:
Diffusivity:
Dissolved Variables:
A:Layer Resist.:
Diffusivity:
N :Layer Resist.:
Diffusivity:
Reactor Type:
Reactor Volume:
Biofilm Matrix:
Detach. Velocity:
Film Surface:
Rate of epsFl:
Nurn. of Grid Pts:
section!:
O
O
section2:
Description:
5.0 cm to 10.0 cm
Biofilm Reactor Compartment
Type:
Active Variables:
A, X, N
Active Processes:
biomass
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LFO
A(Biofilm) : A_out
N(Biofilm) : N_out
X(Biofilm) : eps_X_ini*rho_X
A(Bulk Volume) : A_out
N (Bulk Volume) : N o u t
Inflow:
O
Input Fluxes:
Particulate Variables:
X :Density:
rho_X
Attach.
Coeff.: Ka
Detach.
Coeff.: O
O
O
lambda/D_A
f *D_A
lambda/D_N
f*D_N
confined
7.6199e-006
rigid
udefct
AFl
O
10 (low resolution)
Description:
10.0 cm to 15.0 cm
Type:
Biofilm Reactor Compartment
Active Variables:
A, X, N
Active Processes:
biomass
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LFO
A(Biofilm) : A_out
N(Biofilm) : N_out
X(Biofilm) : eps_X_ini*rho_X
A(Bulk Volume) : A_out
N (Bulk Volume) : N_out
Inflow:
O
Input Fluxes:
Particulate Variables:
X :Density:
rho X
Attach. Coeff.:
Ka
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Dissolved Variables:
A:Layer Resist.:
lambda/D_A
Diffusivity:
f*D_A
N :Layer Resist.:
lambda/D_N
Diffusivity:
f*D_N
Reactor Type:
confined
Reactor Volume:
7.6199e-006
Biofilm Matrix:
rigid
Detach. Velocity:
udefct
Film Surface:
AFl
Rate of epsFl:
Nurn. of Grid Pts:
10 (low resolution)
O
O
O
O
section^:
Description:
Type:
15.0 cm to 20.0 cm
Biofilm Reactor Compartment
102
Biofilm Reactor Compartment
Type:
A, X, N
Active Variables:
biomass
Active Processes:
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LFO
A(Biofilm) : A_out
N(Biofilm) : N o u t
X(Biofilm) : eps X ini*rho_X
A(Bulk Volume) : A_out
N (Bulk Volume) : N_out
Inflow:
O
Input Fluxes:
Particulate Variables:
rho X
X :Density:
Ka
Attach. Coeff.:
O
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Dissolved Variables:
lambda/D_A
A:Layer Resist.:
f*D_A
Diffusivity:
lambda/D_N
N :Layer Resist.:
f*D_N
Diffusivity:
confined
Reactor Type:
7.6199e-006
Reactor Volume:
rigid
Biofilm Matrix:
udefct
Detach. Velocity:
AFl
Film Surface:
O
Rate of epsFl:
10 (low resolution)
Nurn. of Grid Pts:
Diffusivity:
Dissolved Variables:
A:Layer Resist.:
Diffusivity:
N :Layer Resist.:
Diffusivity:
Reactor Type:
Reactor Volume:
Biofilm Matrix:
Detach. Velocity:
Film Surface:
Rate of epsFl:
Nu m . of Grid Pts:
20.0 cm to 25.0 cm
Description:
Biofilm Reactor Compartment
Type:
A, X, N
Active Variables:
biomass
Active Processes:
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LFO
A (Biofilm) : A_out
N(Biofilm) : N_out
X(Biofilm) : eps_X_ini*rho_X
A(Bulk Volume) : A_out
N (Bulk Volume) : N o u t
Inflow:
O
Input Fluxes:
Particulate Variables:
X :Density:
rho_X
Attach. Coeff.:
Ka
Detach. Coeff.:
O
Layer Resist.:
O
lambda/D_A
f*D_A
lambda/D_N
f*D_N
confined
7.6199e-006
rigid
udefct
AFl
O
10 (low resolution)
sections:
Description:
25.0 cm to 30.0 cm
Type:
Biofilm Reactor Compartment
A, X, N
Active Variables:
Active Processes:
biomass
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LFO
A (Biofilm) : A_out
N(Biofilm) : N_out
X(Biofilm) : eps_X_ini*rho_X
A(Bulk Volume) : A_ out
N (Bulk Volume) : N_ out
Inflow:
'0
Input Fluxes:
Particulate Variables:
X:Density:
rho X
Attach. Coeff.:
Ka
Detach. Coeff.:
0
Layer Resist.:
0
Diffusivity:
0
Dissolved Variables:
A:Layer Resist.:
lambda/D A
Diffusivity:
f*D_A
N :Layer Resist.:
lambda/D N
Diffusivity:
f*D_N
Reactor Type:
confined
Reactor Volume:
7.6199e-006
Biofilm Matrix:
rigid
Detach. Velocity:
udefct
Film Surface:
AFl
Rate of epsFl:
0
Nurn. of Grid Pts:
10 (low resc
section?:
Description:
Type:
Active Variables:
O
sections:
O
30.0 cm to 35.0 cm
Biofilm Reactor Compartment
A, X, N
103
Active Variables:
A, X, N
Active Processes:
biomass
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LFO
A(Biofilm) : A_out
N(Biofilm) : N_out
X(Biofilm) : eps_X_ini*rho_X
A(Bulk Volume) : A_out
N (Bulk Volume) : N_out
Inflow:
O
Input Fluxes:
Particulate Variables:
X :Density:
rho_X
Attach. Coeff.:
Ka
Detach. Coeff.:
O
Layer Resist.:
O
Diffusivity:
O
Dissolved Variables:
lambda/D_A
A:Layer Resist.:
f*D_A
Diffusivity:
lambda/D_N
N :Layer Resist.:
f*D_N
Diffusivity:
confined
Reactor Type:
7.6199e-006
Reactor Volume:
rigid
Biofilm Matrix:
Detach. Velocity:
udefct
Film Surface:
AFl
Rate of epsFl:
10 (low resolution)
Nu m . of Grid Pts:
Dissolved Variables:
A:Layer Resist.:
Diffusivity:
N :Layer Resist.:
Diffusivity:
Reactor Type:
Reactor Volume:
Biofilm Matrix:
Detach. Velocity:
Film Surface:
Rate of epsFl:
N u m . of Grid Pts:
O
O
O
O
O
sections:
Description:
35.0 cm to 40.0 cm
Biofilm Reactor Compartment
Type:
A, X, N
Active Variables:
Active Processes:
biomass
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LFO
A(Biofilm) : A_out
N(Biofilm) : N_out
X(Biofilm) : e p s X _ini*rho_X
A(Bulk Volume) : A out
N (Bulk Volume) : N_ out
"0
Inflow:
Input Fluxes:
Particulate Variables:
X:Density:
rho X
Ka
Attach. Coeff.:
0
Detach. Coeff.:
Layer Resist.:
0
Diffusivity:
0
lambda/D_A
f*D_A
lambda/D_N
f*D_N
confined
7.6199e-006
rigid
udefct
AFl
O
10 (low resolution)
Description:
40.0 cm to 45.0 cm
Type:
Biofilm Reactor Compartment
Active Variables:
A, X, N
Active Processes:
biomass
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LFO
A (Biofilm) : A_out
N(Biofilm) : N_out
X(Biofilm) : eps_X_ini*rho_X
A(Bulk Volume) : A_out
N (Bulk Volume) : N_out
Inflow:
0
Input Fluxes:
Particulate Variables:
X :Density:
rho X
Attach. Coeff.:
Ka
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Dissolved Variables:
A:Layer Resist.:
lambda/D_A
Diffusivity:
f*D_A
N :Layer Resist.:
lambda/D_N
f*D_N
Diffusivity:
Reactor Type:
confined
Reactor Volume:
7.6199e-006
Biofilm Matrix:
rigid
Detach. Velocity:
udefct
Film Surface:
AFl
Rate of epsFl:
Nurn. of Grid Pts:
10 (low resolution)
*****************************************************************
sections:
O
O
O
O
104
biomass
Active Processes:
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LFO
A(Biofilm) : A_out
N(Biofilm) : N_out
X(Biofilm) : eps_X_ini*rho_X
A(Bulk Volume) : A_out
N (Bulk Volume) : N_out
Inflow:
Input Fluxes:
Particulate Variables:
rho X
X:Density:
Ka
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Dissolved Variables:
lambda/D_A
A:Layer Resist.:
f*D_A
Diffusivity:
lambda/D_N
N :Layer Resist.:
f*D_N
Diffusivity:
confined
Reactor Type:
7.6199e-006
Reactor Volume:
rigid
Biofilm Matrix:
udefct
Detach. Velocity:
AFl
Film Surface:
Rate of epsFl:
10 (low resolution)
Mum. of Grid Pts:
IinkStoT:
section?
Links
*****************************************************************
Link from sectionl to
Description:
linklto2:
section2
Advective Link
Type:
sectionl
Compartment In:
Outflow
Connection In:
sections
Compartment Out:
Inflow
Connection Out:
Bifurcations:
link2to3:
sections
link4to5:
sections
IinkStoS:
sections
Link from section! to
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
sections
Outflow
section!
Inflow
Description:
Link from section! to
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
section!
Outflow
section4
Inflow
Description:
Link from section4 to
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
section4
Outflow
sections
Inflow
Description:
Link from sections to
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
sections
Outflow
sections
Inflow
IinkStoS:
sections
IinkStolO:
sectionlO
Link from sections to
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
sections
Outflow
section?
Inflow
Description:
Link from section? to
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
section?
Outflow
sections
Inflow
Description:
Link from sections to
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
sections
Outflow
sections
Inflow
Description:
Link from sections to
Type:
Advective Link
Compartment In:
sections
Connection In:
Outflow
Compartment Out:
sectionlO
Connection Out:
Inflow
Bifurcations:
*****************************************************************
*****************************************************************
Definitions of Parameter Estimation Calculations
*****************************************************************
Description:
fitl:
Calculation for parameter
estimatio
Calculation Number:
0
4
Initial Time:
Initial State:
given, made consistent
active
Status:
Fit Targets:
Data : Variable (Compartment, Zone,Time/Space)
105
link3to4:
section4
Description:
IinkTtoS:
sections
Description:
Value
Value
Value
Value
Value
Value
Value
X out : X (sectionlO,Bulk Volume,I)
Plot Definitions
Acetate:
Description:
Influent, effluent
concentration of acetate
Time
Acetate concentration
Time (days)
Concentration (ppm)
ade:
Description:
Abscissa:
Time
Title:
ade
Abscissa
Label:
t [d]
Ordinate
Label:
ade
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : ade [0,sectionl,Bulk Volume,0]
Biomass:
Description:
Abscissa:
Title:
[0, sections, Bulk
[0,section4,Bulk
[0,sections,Bulk
[0,sections,Bulk
[0,sectionl,Bulk
[0,sections,Bulk
[0,sections,Bulk
Volume,0]
Volume,0]
Volume,0]
Volume,0]
Volume,0]
Volume,0]
Volume,0]
LFAll:
Description:
Biofilm thickness
Abscissa:
Time
Title:
Biofilm thickness
Abscissa Label:
Time (days)
Thickness (m)
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value
LFexpl [0,sectionl,Biofilm,0]
LF [0,sectionl,Biofilm,0]
Value
Value
LF [0,sections,Biofilm,0]
Value
LF [0,section4,Biofilm,0]
LF [0,sections,Biofilm,0]
Value
Value
LF [0,sectionlO,Biofilm,0]
LF [0,sections,Biofilm,0]
Value
Value
LF [0,sections,Biofilm,0]
LF [0,section?,Biofilm,0]
Value
Value
LF [0,sections,Biofilm,0]
LF [0,sections,Biofilm,0]
Value
Nitrate:
Description:
Influent and effluent
concentration of nitrate
Time
Nitrate concentration
Time (days)
Concentration (ppm)
Abscissa:
Title:
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
N [0,section4,Bulk Volume,1]
Value
N_in [0,section4,Bulk Volume,1]
Value
Value
N_out [0,section4,Bulk Volume,1]
Value
N [0,sectionl,Bulk Volume,0]
Value
N [0,sections,Bulk Volume,0]
Value
N [0,sections,Bulk Volume,0]
Value
N [0,sectionlO,Bulk Volume,0]
Value
N [0,section4,Bulk Volume,0]
Value
N [0,sections,Bulk Volume,0]
Value
N [0,sections,Bulk Volume,0]
Value
N [0,section?,Bulk Volume,0]
Value
N [0,sections,Bulk Volume,0]
N [0,sections,Bulk Volume,0]
Value
Concentration of biomass
Time
Effluent concentration of
biomass
Time (days)
Concentration (ppm-C)
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : X [0,sectionlO,Bulk Volume,0]
Value : X_out [0,sectionlO,Bulk Volume,0]
Value : X [0,sectionl,Bulk Volume,0]
Value : X [0,sectionZ,Bulk Volume,0]
X
X
X
X
X
X
X
uat:
Description:
106
Abscissa:
Title:
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
A [0,section4,Bulk Volume,1]
Value
A_out [0,section4,Bulk Volume,1]
Value
A_in [0,sectionl,Bulk Volume, 1]
Value
A [0,sectionl,Bulk Volume,0]
Value
A [0,sections,Bulk Volume,0]
Value
A [0,sections,Bulk Volume,0]
Value
A [0,sectionlO,Bulk Volume,0]
Value
A (0,sections,Bulk Volume,0]
Value
A [0,section4,Bulk Volume,0]
Value
A [0,sections,Bulk Volume,0]
Value
A [0,section?,Bulk Volume,0]
Value
A [0,sections,Bulk Volume,0]
Value
A [0,sections,Bulk Volume,0]
Value
:
:
:
:
:
:
:
Abscissa:
Title:
Abscissa
Ordinate
Curves:
Type :
Value
Value
Value
Value
Value
Value
Value
Value
Value
Value
Label:
Label:
Time
Uat
t [d]
m/d
Variable [CalcNumfComp.,Zone,Time/Space]
uat [0, sectionlO,Biofilm,0]
uat [0, sectionl,Biofilm,0]
uat [0, section2,Biofilm,0]
uat [0, sections,Biofilm,0]
uat [0, section4,Biofilm,0]
uat [0, sections,Biofilm,0]
uat [0, sections,Biofilm,0]
uat [0, sections,Biofilm,0]
uat [0, section?,Biofilm,0]
uat [0, sections,Biofilm,0]
*****************************************************************
*****************************************************************
Calculation Parameters
*****************************************************************
Numerical Parameters:
Maximum Time Step:
I
Maximum Integration Order:
5
Number of Codiagonals:
1000
Maximum Number of Steps: 1000
Grid Time Constant:
0
Options:
Calculation Number:
Initial Time:
Initial State:
0
4
given, made
Step Size:
Number of Steps:
Fit Method:
Max. Number Iterat.:
0.5
34
secant
SOO
consistent
udefct:
Time
Udefct
t [d]
m/d
[CalcNumlComp.,Zone,Time/Space]
[0,sectionl,Biofilm,0]
[0,sections,Biofilm,0]
[0,section4,Biofilm,0]
[0,sections,Biofilm,0]
[0,sections,Biofilm,0]
[0,sections,Biofilm,0]
[0,section?,Biofilm,0]
[0,sections,Biofilm,0]
[0,section?,Biofilm,0]
Description:
Abscissa:
Time
Title:
uF
Abscissa Label:
t [d]
Ordinate Label:
m/d
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : uF [0,sectionl,Biofilm,0]
Value : uF [0,sections,Biofilm,0]
Value : uF [0,section4,Biofilm,0]
Value : uF [0,sections,Biofilm,0]
Value : uF [0, sections. Biofilm, 0]
Value : uF [0,sections,Biofilm,0]
Value : uF [0, section?,Biofilm,0]
Value : uF [0, sections,Biofilm,0]
Value : uF [0, sections, Biofilm,0]
*****************************************************************
*****************************************************************
Calculated States
Calc. Num.
0
Num. States
35
Comments
Range of Times: 4 - SI
*****************************************************************
107
uF:
Description:
Abscissa:
Title:
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable
udefct
Value
udefct
Value
udefct
Value
udefct
Value
Value
udefct
udefct
Value
Value
udefct
udefct
Value
udefct
Value
Sensitivity Analysis: inactive
Parameter Estimation: inactive
APPENDIX C .2 - AQUASIM data file for Case 2
01/29/1996
D X:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Diffusivity of cells
Constant Variable
m2/d
0.0001
I
0
10
inactive
inactive
eps:
Description:
Initial porosity of porous
media
Constant Variable
10:29:47
Variables
ade:
Detachment velocity
coefficient
Real List Variable
Description:
Type:
Unit:
t
Argument:
Standard Deviations: global
Rel. Stand. Deviat.:
Ab s . Stand. Deviat.:
Minimum:
2
Maximum:
Interpolation Method: linear interpolation
Sensitivity Analysis: inactive
Real Data Pairs (3 pairs):
0.4
0
1
0
0
I
18
AF:
D_G:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
I
I
Description:
Biofilm surface area - for
length = 0.5 cm
Type:
Constant Variable
Unit:
m2
Value:
0.021
Standard Deviation:
I
Minimum:
0
Maximum:
10
Sensitivity Analysis: active
Parameter Estimation: inactive
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Diffusivity of glucose in
water
Constant Variable
m2/d
5.18e-005
I
0
10
eps X ini:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
f:
Description:
Type:
-
0.44
I
0
10
inactive
inactive
Initial volume fraction of
cells in biofilm
Constant Variable
0.1
I
0
I
inactive
inactive
Ratio of diffusivity in
biofilm and in the bulk
fluid
Constant Variable
108
Diffusivity of oxygen in
water
Type:
Constant Variable
Unit:
m2/d
Value:
0.000156
Standard Deviation:
I
Minimum:
0
Maximum:
10
Sensitivity Analysis: inactive
Parameter Estimation: inactive
CASE 2 - Montana State University porous media column biofilm
detachment experiments
Date and time of listing:
Description:
D 0:
G:
G in:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
0.8
I
0
10
inactive
inactive
Description:
Type:
Unit:
Relative Accuracy:
Absolute Accuracy:
Concentration of glucose
Dyn. Volume State V ar.
gC/m3
le-006
le-006
14
15
16
17
18
Description:
kl:
Type:
Unit:
Expression:
Stoichiometric factor g
acetate/g nitrate
Formula Variable
g 02/g C-glu
1.1/0.531
Ra:
Description:
Type:
Unit:
Expression:
Attachment coefficient
Formula Variable
1/d
0
K G:
Description:
half-saturation constant for
glucose
Formula Variable
g C-glu/m3
2*0.4
Type:
Unit:
Expression:
K 0:
14
15
16
17
18
2. 65
2. 71
2. 76
2. 56
2. 92
Description:
Type:
Unit:
Argument:
Standard Deviations:
Rel. Stand. Deviat.:
A b s . Stand. Deviat.:
Minimum:
Maximum:
Effluent concentration of
acetate
Real List Variable
g glucose/m3
t
global
0
I
0
le+009
Description:
Type:
Unit:
Expression:
lambda:
G out:
Description:
0.37
0.58
0.37
0.41
0.44
Description:
half-saturation constant for
oxygen
Formula Variable
g oxygen/m3
0.2
Liquid boundary layer mass
transfer resistance
coefficient
Type:
Constant Variable
m
Unit:
Value:
5e-006
Standard Deviation:
I
Minimum:
0
Maximum:
10
Sensitivity Analysis: inactive
Parameter Estimation: inactive
109
Influent concentration of
glucose
Real List Variable
Type:
g C-glu/m3
Unit:
t
Argument:
global
Standard Deviations:
Rel. Stand. Deviat.: 0
A b s . Stand. Deviat.: I
Minimum:
0
Maximum:
le+009
Interpolation Method: linear interpolation
Sensitivity Analysis: inactive
Real Data Pairs (19 pairs):
0
2. 15
I
2. 32
2
2. 52
3
2. 77
4
2. 37
Interpolation Method: linear interpolation
Sensitivity Analysis: inactive
Real Data Pairs (18 pairs):
0.75
0
I
0.28
2
0.52
3
0.21
0.56
4
LF:
LFO:
LFexpl:
Description:
Type:
Unit:
Reference to:
Biofilm thickness
Program Variable
m
Biofilm Thickness
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Initial biofilm thickness
Constant Variable
m
le-006
I
0
le-005
inactive
inactive
Axial length of unit
Formula Variable
m
0.05
Description:
Type:
Unit:
Expression:
muemax:
Maximum specific growth rate
of cells
Constant Variable
Type:
1/d
Unit:
9
Value:
Standard Deviation:
I
Minimum:
0
Maximum:
10
Sensitivity Analysis: inactive
Parameter Estimation: active
O:
O in:
Influent concentration of
oxygen
Type:
Constant Variable
Unit:
g oxygen/m3
7
Value:
Standard Deviation:
I
Minimum:
0
Maximum:
10
Sensitivity Analysis: inactive
Parameter Estimation: inactive
0 out:
Description:
Effluent concentration of
oxygen
Type:
Constant Variable
Unit:
gO/m3
Value:
I
Standard Deviation:
I
Minimum:
0
Maximum:
10
Sensitivity Analysis: inactive
Parameter Estimation: inactive
Qin:
Description:
Volumetric flow rate
Type:
Real List Variable
Unit:
m3/d
Argument:
t
Standard Deviations:
global
Rel. Stand. Deviat.: 0
Abs. Stand. Deviat.: I
Minimum:
0
Maximum:
le+009
Interpolation Method: linear interpolation
Sensitivity Analysis: inactive
Real Data Pairs (28 pairs):
0
0. 00288
I
0. 003618
2
0. 003456
3
0. 003168
4
0. 002592
Description:
Lun:
Description:
Description:
Type:
Unit:
Concentration of oxygen
Dyn. Volume State Var.
gN/m3
le-006
le-006
Description:
15.01
16
16.01
17
18
0. 00288
0. 002304
0. 00288
0. 00288
0. 002304
no
Experimental biofilm
thickness
Real List Variable
Type:
m
Unit:
t
Argument:
Standard Deviations:
global
Rel. Stand. Deviat.: 0
A b s . Stand. Deviat.: I
0
Minimum:
le-005
Maximum:
Interpolation Method: linear interpolation
Sensitivity Analysis: inactive
Real Data Pairs (I pairs):
21
4. 157e-007
Relative Accuracy:
Absolute Accuracy:
Average density of biomass
Constant Variable
gC/m3
25000
I
0
500000
inactive
inactive
t:
Description:
Type:
Unit:
Reference to:
Time
Program Variable
days
Time
uat:
Description:
Type:
Unit:
Reference to:
attachment velocity
Program Variable
m/d
Attachment Velocity of
Biofilm
uB:
Description:
Type:
Unit:
Expression:
Mean bulk fluid velocity
Formula Variable
m/d
Qin*Lun/VB
ude:
Description:
Type:
Unit:
Reference to:
Detachment velocity
Program Variable
m/d
Detachment Velocity of
Biofilm
Description:
Function for detachment
velocity calculcation
Formula Variable
m/d
if uF<0 then 0 else ade*uF
udefct:
Type:
Unit:
Expression:
endif
uF:
Description:
Type:
Unit:
Reference to:
uL:
Description:
Type:
Unit:
Reference to:
Velocity of biofilm solid
matrix
Program Variable
m/d
Growth Velocity of Biofilm
Velocity of the biofilm bulk fluid interface
Program Variable
m/d
Interface Velocity of
Biofilm
VB:
Description:
Type:
Unit:
Reference to:
Volume of bulk fluid
(including liquid boundary
layer)
Program Variable
m3
Bulk Volume
X:
Description:
Type:
Unit:
Relative Accuracy:
Absolute Accuracy:
Concentration of biomass
Dyn. Volume State V ar.
gC/m3
le-006
le-006
X in:
Description:
Influent concentration of
biomass
Type:
Constant Variable
Unit:
g biomass/m3
Value:
0
Standard Deviation:
I
Minimum:
0
Maximum:
10
Sensitivity Analysis: inactive
Parameter Estimation: inactive
X out:
Description:
Effluent concentration of
biomass
Real List Variable
g biomass/m3
t
global
Type:
Unit:
Argument:
Standard Deviations:
Rel. Stand. Deviat.:
A b s . Stand. Deviat.:
Minimum:
Maximum:
le+009
Interpolation Method: linear interpolation
Sensitivity Analysis: inactive
Real Data Pairs (18 pairs):
0.321
3.85
2
3.011
0.542
3
4
0.643
0
I
0
0
1
14
15
16
17
1.529
1.651
1.811
2.947
111
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
rho X:
18
Y_G:
Description:
Type:
Unit:
Expression:
Y_0:
z:
Mass yield of biomass per
unit mass of glucose
Formula Variable
g C-biomass / g C-glu
0.5*0.531/0.4
Type:
Unit:
Expression:
Mass yield of biomass per
unit mass of oxygen
Formula Variable
g C-biomass / g C-glu
0.5*0.531
Description:
Type:
Unit:
Reference to:
Distance from substratum
Program Variable
m
Space Coordinate Z
Description:
Inflow:
Qin
Input Fluxes:
Variable : Input Flux
G : Qin*G_in
0 : Qin*0_in
X : Qin*X_in
Particulate Variables:
rho X
X:Density:
Attach. Coeff.:
Ka
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Dissolved Variables:
lambda/D_G
G :Layer Resist.:
Diffusivity:
f*D_G
0:Layer Resist.:
lambda/D_0
f*D_0
Diffusivity:
Reactor Type:
confined
6e-007
Reactor Volume:
rigid
Biofilm Matrix:
udefct
Detach. Velocity:
AF
Film Surface:
Rate of epsFl:
10 (low resolution)
Nu m . of Grid Pts:
4.03
0
0
0
*****************************************************************
0
Processes
*****************************************************************
Production of biomass
Description:
Dynamic Process
Type:
muemax*G/(K G+G)*0/(K 0+0)*X
Rate:
Stoichiometry:
Variable : Stoichiometric Coefficient
X : I
G : -1/Y_G
O : -kl/Y G
Compartments
*****************************************************************
0.0 cm to 0.5 cm
Description:
sectionl:
Biofilm Reactor Compartment
Type:
G, X, 0
Active Variables:
biomass
Active Processes:
Initial Conditions:
Variable(Zone) : Initial Condition
LF(BiOfilm) : LFO
G(Biofilm) : G_in
O(Biofilm) : 0_in
X(Biofilm) : eps_X_ini*rho_X
G (Bulk Volume) : G_in
0(Bulk Volume) : 0_in
section2:
Description:
0.5 cm to 1.0 cm
Type:
Biofilm Reactor Compartment
Active Variables:
G, X, 0
Active Processes:
biomass
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LFO
G(Biofilm) : G_in
O(Biofilm) : 0_in
X(Biofilm) : eps_X_ini*rho_X
G (Bulk Volume) : G i n
0 (Bulk Volume) : 0_in
Inflow:
0
Input Fluxes:
Particulate Variables:
X :Density:
rho_X
Attach. Coeff.:
Ka
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Dissolved Variables:
lambda/D_G
G :Layer Resist.:
Diffusivity:
f*D_G
lambda/D_0
0:Layer Resist.:
f*D 0
Diffusivity:
0
0
0
112
biomass:
Reactor Type:
Reactor Volume:
Biofilm Matrix:
Detach. Velocity:
Film Surface:
Rate of epsFl:
Nurn. of Grid Pts:
section!:
O
10 (low resolution)
O
1.5 cm to 2.0 cm
Description:
Biofilm Reactor Compartment
Type:
Active Variables:
G, X, 0
Active Processes:
biomass
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LFO
G(Biofilm) : G_in
O(Biofilm) : 0 in
0
0
0
O
sections:
2.0 cm to 2.5 cm
Description:
Type:
Biofilm Reactor Compartment
G, X, 0
Active Variables:
Active Processes:
biomass
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LFO
G(Biofilm) : G_in
O(Biofilm) : 0_in
X(Biofilm) : eps_X_ini*rho_X
G (Bulk Volume) : G_in
0 (Bulk Volume) : 0_in
Inflow:
0
Input Fluxes:
Particulate Variables:
X :Density:
rho_X
Attach. Coeff.:
Ka
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Dissolved Variables:
lambda/D_G
G :Layer Resist.:
f*D_G
Diffusivity:
lambda/D_0
0:Layer Resist.:
f*D_0
Diffusivity:
Reactor Type:
confined
O
O
O
113
1.0 cm to 1.5 cm
Description:
Biofilm Reactor Compartment
Type:
G, X, 0
Active Variables:
biomass
Active Processes:
Initial Conditions:
Variable(Zone) : Initial Condition
LF(BiOfilm) : LFO
G(Biofilm) : G_in
O(Biofilm) : 0_in
X(Biofilm) : eps_X_ini*rho_X
G (Bulk Volume) : G_in
0 (Bulk Volume) : 0_in
Inflow:
0
Input Fluxes:
Particulate Variables:
rho X
X:Density:
Attach. Coeff.:
Ra
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Dissolved Variables:
lambda/D_G
G:Layer Resist.:
f*D_G
Diffusivity:
O :Layer Resist.:
lambda/D_0
f*D_0
Diffusivity:
confined
Reactor Type:
6e-007
Reactor Volume:
rigid
Biofilm Matrix:
Detach. Velocity:
udefct
AF
Film Surface:
Rate of epsFl:
10 (low resolution)
Nurn. of Grid Pts:
O
O
O
section4:
X(Biofilm) : eps_X_inr*rho_X
G (Bulk Volume) : G_in
0(Bulk Volume) : 0_in
Inflow:
0
Input Fluxes:
Particulate Variables:
rho X
X:Density:
Ka
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Dissolved Variables:
G :Layer Resist.:
lambda/D_G
f*D_G
Diffusivity:
lambda/D_0
0:Layer Resist.:
f*D_0
Diffusivity:
confined
Reactor Type:
6e-007
Reactor Volume:
rigid
Biofilm Matrix:
udefct
Detach. Velocity:
AF
Film Surface:
Rate of epsFl:
Nurn. of Grid Pts:
10 (low resolution)
confined
6e-007
rigid
udefct
AF
Reactor Volume:
Biofilm Matrix:
Detach. Velocity:
Film Surface:
Rate of epsFl:
Nurn. of Grid Pts:
sections:
O
O
10 (low resolution)
3.5 cm to 4.5 cm
Description:
Biofilm Reactor Compartment
Type:
G, X, O
Active Variables:
Active Processes:
biomass
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LFO
G(Biofilm) : G_in
O(Biofilm) : 0_in
X(Biofilm) : eps_X_ini*rho_X
O
O
O
O
114
2.5 cm to 3.5 cm
Description:
Biofilm Reactor Compartment
Type:
G, X, 0
Active Variables:
biomass
Active Processes:
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LFO
G(Biofilm) : G_in
O(Biofilm) : 0_in
X(Biofilm) : eps_X_ini*rho_X
G(Bulk Volume) : G_in
O (Bulk Volume) : 0_in
Inflow:
O
Input Fluxes:
Particulate Variables:
X :Density:
rho_X
Attach. Coeff.:
Ka
Detach. Coeff.:
O
Layer Resist.:
O
Diffusivity:
O
Dissolved Variables:
lambda/D_G
G :Layer Resist.:
f*D_G
Diffusivity:
lambda/D_0
O '.Layer Resist. :
f*D_0
Diffusivity:
confined
Reactor Type:
1.2 e-0 0 6
Reactor Volume:
rigid
Biofilm Matrix:
Detach. Velocity:
udefct
2* AF
Film Surface:
Rate of epsFl:
10 (low resolution)
Nurn. of Grid Pts:
O
section?:
G (Bulk Volume) : G_in
O (Bulk Volume) : 0_in
Inflow:
Input Fluxes:
Particulate Variables
X:Density:
rho X
Attach. Coeff.:
Ka
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Dissolved Variables:
G :Layer Resist.:
lambda/D_G
Diffusivity:
f*D_G
O :Layer Resist.:
lambda/D_0
Diffusivity:
f*D_0
Reactor Type:
confined
Reactor Volume:
1 .2e-006
Biofilm Matrix:
rigid
Detach. Velocity:
udefct
2*AF
Film Surface:
Rate of epsFl:
Hum. of Grid Pts:
10 (low resolution)
6e-007
rigid
udefct
AF
Links
linklto2:
Description:
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
link2to3:
Description:
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
link3to4:
Description:
Type:
Compartment In:
Link from sectionl to
section2
Advective Link
sectionl
Outflow
section2
Inflow
Link from sections to
sections
Advective Link
sections
Outflow
sections
Inflow
Link from sections to
section^
Advective Link
section^
link4to5:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Outflow
section4
Inflow
Description:
Link from section4 to
sections
Advective Link
section4
Outflow
sections
Inflow
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
IinkStoS:
Description:
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
IinkStoT:
Description:
Description:
Abscissa:
Time
Title:
ade
Abscissa Label:
t [d]
Ordinate Label:
ade
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : ade [0,sectionl,Bulk Volume,0]
Biomass:
Description:
Abscissa:
Title:
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
X [0,sectionl,Bulk Volume,0]
Value
Value : X [0,sectionZ,Bulk Volume,0]
Value : X [0,section!,Bulk Volume,0]
Value : X [0,section4,Bulk Volume,0]
Value : X [0,sections,Bulk Volume,0]
Value : X [0,sections,Bulk Volume,0]
Value : X [0,section?,Bulk Volume,0]
Value : X out [0,sectionl,Bulk Volume,0]
Link from sections to
sections
Advective Link
sections
Outflow
sections
Inflow
Link from sections to
section?
Advective Link
sections
Outflow
section?
Inflow
Glucose:
Description:
Calculation Number:
Initial Time:
Initial State:
Status:
Fit Targets:
Calculation for parameter
estimation
0
4
given, made consistent
inactive
LFAll:
Plot Definitions
Description:
Influent, effluent
concentration of glucose
Time
Glucose concentration
Time (days)
Concentration (ppm)
Abscissa:
Title:
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : G_out [0,section4,Bulk Volume,1]
Value : G_in [0,sectionl,Bulk Volume,1]
Value : G [0,sectionl,Bulk Volume,0]
Value : G [0,section!,Bulk Volume,0]
Value : G [0,section!,Bulk Volume,0]
Value : G [0,section!,Bulk Volume,0]
Value : G [0,section4,Bulk Volume,0]
Value : G [0,sections,Bulk Volume,0]
Value : G [0,sectionl,Bulk Volume,0]
Definitions of Parameter Estimation Calculations
fitl:
Concentration of biomass
Time
Effluent concentration of
biomass
Time (days)
Concentration (ppm-C)
Description:
Abscissa:
Title:
Abscissa Label:
Ordinate Label:
Curves:
Biofilm thickness
Time
Biofilm thickness
Time (days)
Thickness (m)
115
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
ade:
Abscissa:
Title:
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable
Value : udefct
Value : udefct
Value : udefct
Value : udefct
Value : udefct
Value : udefct
Value : udefct
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : LF [0,sectionl,Biofilm, 0]
Value : LF [0,sectionl,Biofilm,0]
Value : LF [0,section4,Biofilm,0]
Value : LF [0,sectionl,Biofilm,0]
Value : LF [0,sections,Biofilm,0]
Value : LF [0,sections,Biofilm,0]
Value : LF [0,section?,Biofilm,0]
Oxygen:
Description:
Influent and effluent
concentration of oxygen
Time
Oxygen concentration
Time (days)
Concentration (ppm)
Abscissa:
Title:
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
O [0,sectionl,Bulk Volume,0]
Value
O [0, sections,Bulk Volume,0]
Value
Value : O [0,sections,Bulk Volume,0]
Value : O [0, section4,Bulk Volume,0]
Value : O [0,sections,Bulk Volume,0]
Value : O [0,sections,Bulk Volume,0]
Value : O [0,section?,Bulk Volume,0]
uat:
udefct:
Flow rate
Description:
Time
Abscissa:
Flow rate
Title:
Abscissa Label:
Time [d]
Flow rate [m3/day]
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : Qin [0,sectionl,Bulk Volume,0]
Description:
Abscissa:
Time
Title:
Uat
Abscissa Label:
t [d]
Ordinate Label:
m/d
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : uat [0,sectionl,Biofilm,0]
Value : uat [0,sections,Biofilm,0]
Value : uat [0,sections,Biofilm,0]
Value : uat [0,section4,Biofilm,0]
Value : uat [0,sections,Biofilm,0]
Value : uat [0,sections,Biofilm,0]
Value : uat [0,section?,Biofilm,0]
Description:
[CalcNum,Comp.,Zone,Time/Space]
[0,sectionl,Biofilm,0]
[0,sections,Biofilm,0]
[0,section4,Biofilm,0]
[0,sections,Biofilm,0]
[0,sections,Biofilm,0]
[0,sections,Biofilm,0]
[0,section?,Biofilm,0]
uF:
Description:
Abscissa:
Time
Title:
uF
Abscissa
Label:
t [d]
Ordinate
Label:
m/d
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : uF [0,sectionl,Biofilm,0]
Value : uF [0,sections,Biofilm,0]
Value : uF [0,section4,Biofilm,0]
Value : uF [0,sections, Biofilm,0]
Value : uF [0,sections,Biofilm,0]
Value : uF [0,sections,Biofilm,0]
Value : uF [0,section?,Biofilm,0]
*****************************************************************
*****************************************************************
Calculation Parameters
*****************************************************************
Numerical Parameters:
Maximum Int. Step Size:
I
Maximum Integrat. Order: 5
Number of Codiagonals:
1000
Maximum Number of Steps: 1000
Grid Time Constant:
0
Options:
Calculation Number:
Initial Time:
Initial State:
0
0
given, made
consistent
Step Size:
0.5
Number of Steps:
36
Fit Method:
secant
Max. Number of Iterat.: S00
*****************************************************************
116
Q:
Time
Udefct
t [d]
m/d
Calculated States
Calc. Nu m .
0
Num. States
37
Comments
Range of Times: 0
117
Parameter Estimation: inactive
APPENDIX C.3 - AQUASIM data file for Case 3
AQUASIM Version I.O e - Listing of System Definition
convtol:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
CASE 3 - Flat plate vapor phase bioreactor experiment
Date and time of listing:
03/12/1996
14:09:52
Variables
A:
ade:
b X:
Biofilm surface area
Constant Variable
m2
0.002222222
0.000111
0.002
0.003
inactive
inactive
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Detachment coefficient
Constant Variable
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Gas-liquid interface area
Constant Variable
m2
0.002222222
0.000111
0.002
0.003
inactive
inactive
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Endogenous rate coefficient
Constant Variable
1/d
0.65
0.2
0
3
inactive
0.1
I
0
10
inactive
inactive
Conversion factor: ppm
toluene in air -> to g
toluene/m3 air
Constant Variable
0.00316
I
0
10
inactive
inactive
D I:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
diffusivity of intermediates
Constant Variable
m2/d
7e-005
I
0
10
inactive
inactive
DO:
Description:
Type:
Unit:
Expression:
Diffusivity of oxygen in
water
Formula Variable
m"2/d
0.000216
D Oa:
Description:
Type:
Unit:
Expression:
Diffusion of oxygen in air
Formula Variable
mA2/d
1.5379
D_T:
Description:
Type:
Unit:
Expression:
Diffusivity of toluene in
water
Formula Variable
m A2/d
6.89e-005
D Ta:
Description:
Type:
Unit:
Expression:
Diffusion of toluene in air
Formula Variable
m A2/d
0.72
D X :
Description:
Diffusivity of biomass in
water
Formula Variable
m A2/d
Type:
Unit:
118
Agl:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Description:
Expression:
d_X:
eps X n :
eps Xn ini:
Death rate coefficient for
cells
Constant Variable
Type:
1/d
Unit:
0.1
Value:
Standard Deviation:
0.1
0
Minimum:
I
Maximum:
Sensitivity Analysis: inactive
Parameter Estimation: inactive
Description:
Description:
Type:
Unit:
Expression:
Volume fraction of biomass
Formula Variable
Description:
Initial volume fraction of
Xn cells
Formula Variable
0.025
Type:
Unit:
Expression:
eps Xpn ini:
Volume fraction of biomass
Formula Variable
Description:
Initial volume fraction of
Xpn cells
Formula Variable
0.025
eps X pp:
eps_Xpp_ini:
Volume fraction of biomass
Formula Variable
Description:
Initial volume fraction of
Xpp cells
Formula Variable
0.03
Type:
Unit:
Expression:
f:
Description:
Type:
Unit:
fraction of death and decay
converted to intermediates
Constant Variable
0.2
I
0
10
inactive
inactive
Description:
fraction of toluene not
completely metabolized (->
intermediates)
Type:
Constant Variable
Unit:
Value:
0.2
Standard Deviation:
I
Minimum:
0
Maximum:
10
Sensitivity Analysis: inactive
Parameter Estimation: inactive
H_0:
Description:
Henry's law coeff. for
oxygen
Type:
Constant Variable
Unit:
(g02/mA3 air)/ (g02/mA3
water)
43
Value:
Standard Deviation:
3
10
Minimum:
Maximum:
100
Sensitivity Analysis: inactive
Parameter Estimation: inactive
H_T:
Description:
Xpp/rho_X
biofilm diffusivity / bulk
liquid diffusivity
Constant Variable
-
Description:
f_toluene:
Xpn/rho_X
Description:
Type:
Unit:
Expression:
0.8
I
0
10
inactive
inactive
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Xn/rho_X
Description:
Type:
Unit:
Expression:
Type:
Unit:
Expression:
f_cells:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Type:
Unit:
Value:
Standard Deviation:
Henry's law coeff. for
toluene
Constant Variable
(g toluene/mA3 air)/ (g
toluene/mA3)
water)
0.19
0.03
119
eps X p n :
0.0001
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
0.1
0.7
active
inactive
I:
Description:
Type:
Unit:
Relative Accuracy:
Absolute Accuracy:
Intermediates
Dyn. Volume State Va r .
g/m3
le-006
le-006
KS I:
half sat. const, for
intermediates
Constant Variable
Type:
g/m3
Unit:
2
Value:
Standard Deviation:
I
0
Minimum:
10
Maximum:
Sensitivity Analysis: inactive
Parameter Estimation: inactive
KS_0:
K CL:
K_I:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Inhibition constant
Constant Variable
g/m3
42.78
5
0
100
inactive
inactive
K INJ:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Rate of injury
Constant Variable
1/day
0.03391615
0.01
0
0.2
inactive
inactive
lambda:
Description:
Boundary layer thickness
(liquid-biofilm boundary)
Type:
Constant Variable
m
Unit:
Value:
2.5e-005
Standard Deviation:
5e-006
Minimum:
5e-006
Maximum:
0.0001
Sensitivity Analysis: inactive
Parameter Estimation: inactive
lambda_gl:
Description:
Description:
half-sat. constant for
oxygen
Constant Variable
Type:
g/m3
Unit:
0.025
Value:
Standard Deviation:
0.005
0
Minimum:
I
Maximum:
Sensitivity Analysis: inactive
Parameter Estimation: inactive
Description:
half-sat. constant for
toluene
Constant Variable
Type:
g/m3
Unit:
3.98
Value:
Standard Deviation:
I
0
Minimum:
10
Maximum:
Sensitivity Analysis: inactive
Parameter Estimation: inactive
Description:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Rate of genetic loss
Constant Variable
I/day
0.00327709
0.001
0
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
LF:
Description:
Type:
Unit:
Reference to:
Boundary layer thickness
(gas-liquid boundary)
Constant Variable
Itl
le-005
5e-006
le-006
5e-005
inactive
inactive
Biofilm thickness
Program Variable
m
Biofilm Thickness
120
KS T :
Maximum:
0.1
Sensitivity Analysis: inactive
Parameter Estimation: inactive
0_gas_in:
LF_ini:
LF max:
mu m a x :
mu_max_I:
0:
Initial biofilm thickness
Formula Variable
m
5e-005
Description:
Type:
Unit:
Expression:
Maximum biofilm thickness
Formula Variable
m
0.001
Maximum specific growth rate
of cells
Constant Variable
Type:
1/d
Unit:
10.08
Value:
Standard Deviation:
I
Minimum:
5
20
Maximum:
Sensitivity Analysis: inactive
Parameter Estimation: inactive
Description:
Type:
Unit:
Expression:
0_use:
Description:
Type:
Unit:
Expression:
Concentration of oxygen in
influent gas
Formula Variable
g 02/m3 air
298.4
Calculated Utilization of
Oxygen
Formula Variable
g/day
Q_gas_in*(0_gas_in-0)
Description:
max specific growth rate on
intermediates
Constant Variable
Type:
1/d
Unit:
5
Value:
Standard Deviation:
I
0
Minimum:
10
Maximum:
Sensitivity Analysis: inactive
Parameter Estimation: inactive
0_wat_in:
Type:
Unit:
Expression:
qex_0:
qex_T:
Oxygen concentration
Dyn. Volume State Var.
g/m3
0.0001
0.0001
Description:
Concentration of oxygen in
influent water
Formula Variable
g 02/m3 water
7
Exchange coeff. for O (gas
to liquid)
Formula Variable
m A3/d
Agl*D_Oa/lambda gl
Type:
Unit:
Expression:
Exchange coeff. of T (gas to
liquid)
Formula Variable
m A3/d
Agl*D_Ta/lambda gl
Q gas in:
Description:
Type:
Unit:
Expression:
Flow rate of gas
Formula Variable
m3/d
0.072
Q wat in:
Description:
Type:
Unit:
Expression:
Flow rate of water
Formula Variable
m3/d
0.00144
rho X:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Biomass density
Constant Variable
g/mA3
50000
5000
25000
100000
active
inactive
Description:
Description:
Type:
Unit:
Relative Accuracy:
Absolute Accuracy:
Description:
Type:
Unit:
Expression:
Description:
Growth-decay rate for Xn
cells
Constant Variable
Type:
I/day
Unit:
0.02550408
Value:
Standard Deviation:
0.01
0
Minimum:
0.1
Maximum:
Sensitivity Analysis: inactive
Parameter Estimation: inactive
Description:
121
mu net:
Description:
Type:
Unit:
Expression:
T:
Description:
Type:
Onit:
Relative Accuracy:
Absolute Accuracy:
Toluene concentration
Dyn. Volume State Var.
g/m.3
0.0001
0.0001
Description:
Type:
Unit:
Reference to:
Time
Program Variable
d
Time
Description:
Toluene gas concentration in
bottom
Formula Variable
g toluene/m3 air
T_gas_in_exp*conv_tol
Type:
Unit:
Expression:
T use:
t:
T qas in:
Type:
Unit:
Expression:
T qas ini:
T qas in exp:
Concentration of toluene in
gas (bottom of column)
Constant Variable
Type:
ppm
Unit:
152
Value:
Standard Deviation:
I
Minimum:
0
1000
Maximum:
Sensitivity Analysis: inactive
Parameter Estimation: inactive
Description:
Type:
Unit:
Expression:
T qas out exp: Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
T_ppm:
Description:
Toluene concentration in the
top of the column
Formula Variable
g toluene/m3 air
T gas out exp*conv tol
Constant Variable
ppm
20
I
0
1000
inactive
inactive
Calculated ppm toluene in
Description:
Type:
Unit:
Expression:
Formula Variable
mg toluene/kg water
T_gas_in/H_T
udefct:
Description:
Type:
Unit:
Expression:
uF:
Description:
Type:
Unit:
Reference to:
Program Variable
m/d
Growth Velocity of Biofilm
Xn:
Description:
Type:
Unit:
Relative Accuracy:
Absolute Accuracy:
Xn cells
Dyn. Volume State Var.
g/m3
le-006
le-006
Xpn:
Description:
Type:
Unit:
Relative Accuracy:
Absolute Accuracy:
Xpn cells
Dyn. Volume State Var.
g/m3
le-006
le-006
Xpp:
Description:
Type:
Unit:
Relative Accuracy:
Absolute Accuracy:
Xpp cells
Dyn. Volume State Var.
g cellZm^3
0.0001
0.01
Y_I:
Description:
Type:
Unit:
Value:
Standard Deviation:
Yield of Xn on intermediates
Constant Variable
Formula Variable
mg toluene/kg air
T_gas_in
Description:
Type:
Unit:
Expression:
Calculated utilization of
toluene
Formula Variable
g/day
Q_gas_in*(T_gas_in-T)
Detachment velocity function
Formula Variable
m/d
if uF>0 then ade*uF else 0
endif
g/g
0.5
I
122
T qas out:
Description:
Type:
Unit:
Expression:
T wat_ini:
Description:
vapor
Formula Variable
ppm
T/conv_tol
0
10
inactive
inactive
Y 0:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Yield of biomass on oxygen
Constant Variable
g biomass / g oxygen
0.55
0.2
0
2
inactive
inactive
Y Ob:
Yield of biomass on oxygen
for endogenous decay
Constant Variable
Type:
g biomass/g oxygen
Unit:
0.55
Value:
0.2
Standard Deviation:
0
Minimum:
Maximum:
2
Sensitivity Analysis: inactive
Parameter Estimation: inactive
Y T:
z:
Description:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Yield of biomass on toluene
Constant Variable
g biomass/g toluene
0.86
0.2
0
2
inactive
inactive
Description:
Type:
Unit:
Reference to:
Program Variable
m
Space Coordinate Z
Variable : Stoichiometric Coefficient
Xpn : -Xpn
Xn : -Xn
I : f cells
EdecayAll:
Description:
Endogenous decay
Type:
Dynamic Process
Rate:
b_X*0/(KS_0+0)
Stoichiometry:
Variable : Stoichiometric Coefficient
0 : - (Xpp+Xn)/Y_Ob
Xpp : -Xpp
Xn : -Xn
1 : f_cells*(Xpp+Xn)
GenLoss:
Description:
Type:
Rate:
Stoichiometry:
Variable : Stoichiometric Coefficient
Xpp : -I
Xn : I
Growth:
Description:
Growth/utilization process
Type:
Dynamic Process
Rate:
mu_max*T/(KS_T+T+T*T/K_I)*0/(KS_0+0)‘Xpp
Stoichiometry:
Variable : Stoichiometric Coefficient
Xpp : I
T : -1/Y_T
0 : -1/Y_0
1 : f_toluene/Y_T
Injury:
Description:
Rate of injury (Xpp to Xpn)
Type:
Dynamic Process
Rate:
K_lNJ*T*Xpp
Stoichiometry:
Variable : Stoichiometric Coefficient
Xpp : -I
Xpn : I
Xn_growth:
intermediates
Description:
*****************************************************************
*****************************************************************
Processes
*****************************************************************
Death:
Description:
Type:
Rate:
Stoichiometry:
Death of Xpn cells
Dynamic Process
d X
Rate of genetic loss (Xpp to
Xn )
Dynamic Process
K_GL*T*Xpp
Growth of Xn cells on
Type:
Dynamic Process
Rate:
mu_max_I*I*(KS_I+I)*0/(KS_0+0)*Xn
Stoichiometry:
Variable : Stoichiometric Coefficient
Xn : I
0 : -1/Y 0
123
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Initial Conditions:
Variable(Zone) : Initial Condition
T (Bulk Volume) : T_gas_in
0 (Bulk Volume) : 0_gas_in
0
Inflow:
Input Fluxes:
Volume:
8e-005
I : -1/Y I
Compartments
*****************************************************************
gasl:
gas2:
gas4:
gas5:
Description:
Bottom gas volume
Type:
Mixed Reactor Compartment
T, 0
Active Variables:
Active Processes:
Initial Conditions:
Variable(Zone) : Initial Condition
T (Bulk Volume) : T_gas_in
O (Bulk Volume) : 0 gas in
Inflow:
0
Input Fluxes:
Be-OOS
Volume:
gas6:
Bottom gas volume
Description:
Mixed Reactor Compartment
Type:
T, 0
Active Variables:
Active Processes:
Initial Conditions:
Variable(Zone) : Initial Condition
T (Bulk Volume) : T gas in
0(Bulk Volume) : 0 gas in
Inflow:
0
Input Fluxes:
Volume:
8e-005
Description:
Bottom gas volume
Type:
Mixed Reactor Compartment
T, O
Active Variables:
Active Processes:
Initial Conditions:
Variable(Zone) : Initial Condition
T (Bulk Volume) : T gas in
0 (Bulk Volume) : 0 gas in
Inflow:
0
Input Fluxes:
Volume:
Se-OOS
gas7:
Description:
Bottom gas volume
Mixed Reactor Compartment
Type:
T, O
Active Variables:
Active Processes:
Initial Conditions:
Variable(Zone) : Initial Condition
T (Bulk Volume) : T gas in
0 (Bulk Volume) : 0 gas in
Inflow:
0
Input Fluxes:
8e-005
Volume:
Description:
Bottom gas volume
Type:
Mixed Reactor Compartment
Active Variables:
T, O
Active Processes:
Initial Conditions:
Variable(Zone) : Initial Condition
T (Bulk Volume) : T gas in
OtBulk Volume) : O gas in
Inflow:
0
Input Fluxes:
Volume:
Se-OOS
gas8:
Description:
Bottom gas volume
Type:
Mixed Reactor Compartment
Active Variables:
T, O
Active Processes:
Initial Conditions:
Variable(Zone) : Initial Condition
Description:
Type:
Active Variables:
Active Processes:
Bottom gas volume
Mixed Reactor Compartment
T, O
124
gas3:
Bottom gas volume
Description:
Mixed Reactor Compartment
Type:
T, 0
Active Variables:
Active Processes:
Initial Conditions:
Variable(Zone) : Initial Condition
T (Bulk Volume) : T gas in
0(Bulk Volume) : 0 gas in
Q_gas_in
Inflow:
Input Fluxes:
Variable : Input Flux
T : Q_gas_in*T_gas_in
0 : Q gas in*0 gas in
8e-005
Volume:
T (Bulk Volume)
O (Bulk Volume)
Inflow:
Input Fluxes:
Volume:
gas9:
watl:
: T_gas_in
: 0_gas_in
0
8e-005
Description:
Bottom gas volume
Type:
Mixed Reactor Compartment
Active Variables:
T, O
Active Processes:
Initial Conditions:
Variable(Zone) : Initial Condition
T (Bulk Volume) : T_gas_in
O (Bulk Volume) : 0_gas_in
Inflow:
0
Input Fluxes:
Volume:
8e-005
Description:
Type:
Active Variables:
Active Processes:
Bottom water volume (surface
water film and biofilm)
Biofilm Reactor Compartment
T, 0, Xpp, Xpn, Xn , I
EdecayAll, GenLoss, Growth,
Injury, Xn_growth, Death
O
Description:
Bottom water volume (surface
water film and biofilm)
Biofilm Reactor Compartment
T, 0, Xpp, Xpn, Xn, I
EdecayAll, GenLoss, Growth,
Injury, Xngrowth, Death
Type:
Active Variables:
Active Processes:
rho_X
O
O
O
O
lambda/D_T
f*D_T
lambda/D_0
f*D_0
lambda/D_I
f*D_I
confined
8.888889e-006
rigid
udefct
A
O
10 (low resolution)
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LF_ini
Xn(Biofilm) : eps_Xn_ini*rho_X
Xpn(Biofilm) : eps_Xpn_ini*rho_X
Xpp(Biofilm) : eps_Xpp_ini*rho_X
T (Bulk Volume) : T_wat_ini
T(Biofilm) : T_wat_ini
OlBulk Volume) : 0_wat_in
O(Biofilm) : O wat in
I (Bulk Volume) : O
I (Biofilm) : O
Inflow:
O
Input Fluxes:
Particulate Variables:
X pp:
Density:
rho X
Attach. Coeff.:
O
Detach. Coeff.:
O
Layer Resist.:
O
Diffusivity:
O
Xp n :
125
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LF_ini
Xn(Biofilm) : eps_Xn_ini*rho_X
Xpn(Biofilm) : eps_Xpn_ini*rho_X
Xpp(Biofilm) : eps_Xpp_ini*rho_X
T (Bulk Volume) : T_wat_ini
T(Biofilm) : T_wat_ini
O (Bulk Volume) : 0_wat_in
O(Biofilm) : 0_wat_in
I (Bulk Volume) : O
I (Biofilm) : O
Inflow:
O
Input Fluxes:
Particulate Variables:
Xp p :
Density:
rho_X
Attach. Coeff.: O
Detach. Coeff.: O
Layer Resist.:
O
Diffusivity:
O
Xpn:
Density:
rho_X
Attach. Coeff.: O
Detach. Coeff.: O
Layer Resist.:
O
wat2:
Diffusivity:
Xn:
Density:
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Dissolved Variables:
T :Layer Resist.:
Diffusivity:
O :Layer Resist.:
Diffusivity:
I:Layer Resist.:
Diffusivity:
Reactor Type:
Reactor Volume:
Biofilm Matrix:
Detach. Velocity:
Film Surface:
Rate of epsFl:
Hum. of Grid Pts:
rho_X
O
O
O
O
Description:
Bottom water volume (surface
water film and biofilm)
Biofilm Reactor Compartment
T, 0, Xpp, Xpn, Xn, I
EdecayAll, GenLoss, Growth,
Injury, Xn_growth, Death
Type:
Active Variables:
Active Processes:
rho_X
O
O
O
O
lambda/D_T
f*D_T
lambda/D_0
f*D_0
lambda/D_T
f*D_I
confined
8.888889e-006
rigid
udefct
A
O
10 (low resolution)
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LF_ini
Xn(Biofilm) : eps_Xn_ini*rho_X
Xpn(Biofilm) : eps_Xpn_ini*rho_X
Xpp(Biofilm) : eps_Xpp_ini*rho_X
T (Bulk Volume) : T_wat_ini
T(Biofilm) : T_wat_ini
O (Bulk Volume) : 0_wat_in
O(Biofilm) : 0_wat_in
I (Bulk Volume) : O
I (Biofilm) : O
Inflow:
O
Input Fluxes:
Particulate Variables:
Xpp:
Density:
rho_X
Attach. Coeff.:
O
wat4:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Xpn:
Density:
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Xn:
Density:
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Dissolved Variables:
T :Layer Resist.:
Diffusivity:
0:Layer Resist.:
Diffusivity:
I :Layer Resist.:
Diffusivity:
Reactor Type:
Reactor Volume:
Biofilm Matrix:
Detach. Velocity:
Film Surface:
Rate of epsFl:
Hum. of Grid Pts:
O
O
O
Description:
Bottom water volume (surface
water film and biofilm)
Biofilm Reactor Compartment
T , 0, Xpp, Xpn, Xn, I
EdecayAll, GenLoss, Growth,
Injury, Xn_growth, Death
Type:
Active Variables:
Active Processes:
rho_X
O
O
O
O
rho_X
O
O
O
O
lambda/D_T
f*D_T
lambda/D_0
f*D_0
lambda/D_I
f*D_I
confined
8.888889e-006
rigid
udefct
A
O
10 (low resolution)
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LF_ini
Xn(Biofilm) : eps_Xn_ini*rho_X
Xpn(Biofilm) : eps_Xpn_ini*rho_X
Xpp(Biofilm) : eps_Xpp_ini*rho_X
T (Bulk Volume) : T_wat_ini
T(Biofilm) : T_wat_ini
O (Bulk Volume) : 0_wat_in
O(Biofilm) : 0_wat_in
I (Bulk Volume) : O
I (Biofilm) : O
Inflow:
O
Input Fluxes:
126
wat3:
Density:
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Xn:
Density:
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Dissolved Variables:
T :Layer Resist. :
Diffusivity:
0:Layer Resist. :
Diffusivity:
I :Layer Resist.:
Diffusivity:
Reactor Type:
Reactor Volume:
Biofilm Matrix:
Detach. Velocity:
Film Surface:
Rate of epsFl:
Hum. of Grid Pts:
wat5:
Description:
Type:
Active Variables:
Active Processes:
rho_X
O
O
O
O
rho_X
O
O
O
O
rho_X
O
O
O
O
lambda/D_T
f*D_T
lambda/D_0
f*D_0
lambda/D_I
f*D_I
confined
8.888889e-006
rigid
udefct
A
O
10 (low resolution)
Bottom water volume (surface
water film and biofilm)
Biofilm Reactor Compartment
T, 0, Xpp, Xpn, Xn , I
EdecayAll, GenLoss, Growth,
Injury, Xn_growth, Death
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LF_ini
Xn(Biofilm) : eps_Xn_ini*rho_X
Xpn(Biofilm) : eps_Xpn_ini*rho_X
Xpp(Biofilm) : eps_Xpp_ini*rho_X
T (Bulk Volume) : T_wat_ini
T(Biofilm) : T_wat_ini
O (Bulk Volume) : 0_wat_in
O(Biofilm) : 0_wat_in
I (Bulk Volume) : O
I (Biofilm) : O
Inflow:
Input Fluxes:
Particulate Variables:
Xp p :
Density:
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Xpn:
Density:
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Xn:
Density:
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Dissolved Variables:
T :Layer Resist.:
Diffusivity:
O :Layer Resist.:
Diffusivity:
I :Layer Resist.:
Diffusivity:
Reactor Type:
Reactor Volume:
Biofilm Matrix:
Detach. Velocity:
Film Surface:
Rate of epsFl:
Nu m . of Grid Pts:
Description:
Type:
Active Variables:
Active Processes:
O
rho_X
O
O
O
O
rho_X
O
O
O
O
rho_X
O
O
O
O
lambda/D_T
f*D_T
lambda/D_0
f*D_0
lambda/D_I
f*D_I
confined
8.888889e-006
rigid
udefct
A
O
10 (low resolution)
Bottom water volume (surface
water film and biofilm)
Biofilm Reactor Compartment
T , 0, Xpp, Xpn, Xn, I
EdecayAll, GenLoss, Growth,
Injury, Xn_growth, Death
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LF_ini
Xn(Biofilm) : eps_Xn_ini*rho_X
Xpn(Biofilm) : eps_Xpn_ini*rho_X
Xpp(Biofilm) : eps_Xpp_ini*rho_X
127
Particulate Variables:
Xpp:
Density:
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Xp n :
Density:
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Xn:
Density:
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Dissolved Variables:
T :Layer Resist.:
Diffusivity:
0:Layer Resist. :
Diffusivity:
I :Layer Resist.:
Diffusivity:
Reactor Type:
Reactor Volume:
Biofilm Matrix:
Detach. Velocity:
Film Surface:
Rate of epsFl:
N u m . of Grid Pts:
wat7:
Description:
Type:
Active Variables:
Active Processes:
Bottom water volume (surface
water film and biofilm)
Biofilm Reactor Compartment
T, 0, Xpp, Xpn, Xn , I
EdecayAll, GenLoss, Growth,
Injury, Xn_growth, Death
Initial Conditions:
Variable(Zone) : Initial Condition
wat8:
Description:
Type:
Active Variables:
Bottom water volume (surface
water film and biofilm)
Biofilm Reactor Compartment
T, 0, Xpp, Xpn, Xn, I
128
LF(Biofilm) : LF_ini
Xn(Biofilm) : eps_Xn_ini*rho_X
Xpn(Biofilm) : eps_Xpn_ini*rho_X
Xpp(Biofilm) : eps_Xpp_ini*rho_X
T (Bulk Volume) : T_wat_ini
T(Biofilm) : T wat ini
O (Bulk Volume) : O wat in
O(Biofilm) : O wat in
I (Bulk Volume) : O
I (Biofilm) : O
Inflow:
O
Input Fluxes:
Particulate Variables:
Xp p :
Density:
rho X
Attach. Coeff.:
O
Detach. Coeff.:
O
Layer Resist.:
O
Diffusivity:
O
Xp n :
Density:
rho X
Attach. Coeff.:
O
Detach. Coeff.:
O
Layer Resist.:
O
Diffusivity:
O
Xn:
Density:
rho X
Attach. Coeff.:
O
Detach. Coeff.:
O
Layer Resist.:
O
Diffusivity:
O
Dissolved Variables:
T :Layer Resist.:
lambda/D T
Diffusivity:
f*D T
O :Layer Resist.:
lambda/D O
Diffusivity:
f*D O
I :Layer Resist.:
lambda/D I
Diffusivity:
f*D I
Reactor Type:
confined
Reactor Volume:
8.888889e-006
Biofilm Matrix:
rigid
Detach. Velocity:
udefct
Film Surface:
A
Rate of epsFl:
O
Hum. of Grid Pts:
10 (low resolution)
T (Bulk Volume) : T_wat_ini
T(Biofilm) : T_wat_ini
O (Bulk Volume) : 0_wat_in
O(Biofilm) : 0_wat_in
I (Bulk Volume) : O
I (Biofilm) : O
Inflow:
O
Input Fluxes:
Particulate Variables:
Xpp:
rho_X
Density:
O
Attach. Coeff.:
O
Detach. Coeff.:
O
Layer Resist.:
O
Diffusivity:
Xp n :
rho_X
Density:
O
Attach. Coeff.:
O
Detach. Coeff.:
O
Layer Resist.:
O
Diffusivity:
Xn:
rho_X
Density:
O
Attach. Coeff.:
O
Detach. Coeff.:
Layer Resist.:
O
Diffusivity:
O
Dissolved Variables:
lambda/D_T
T :Layer Resist.:
f*D_T
Diffusivity:
lambda/D_0
0:Layer Resist.:
f*D_0
Diffusivity:
lambda/D_I
I :Layer Resist.:
f*D_I
Diffusivity:
confined
Reactor Type:
8.888889e-006
Reactor Volume:
rigid
Biofilm Matrix:
udefct
Detach. Velocity:
A
Film Surface:
O
Rate of epsFl:
10 (low resolution)
Hum. of Grid Pts:
Active Processes:
EdecayAll, GenLoss, Growth,
Injury, Xn_growth, Death
Description:
Type:
Active Variables:
Active Processes:
Bottom water volume (surface
water film and biofilm)
Biofilm Reactor Compartment
T, 0, Xpp, Xpn, Xn, I
EdecayAll, GenLoss, Growth,
Injury, Xn_growth, Death
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LF_ini
Xn(Biofilm) : eps_Xn_ini*rho_X
Xpn(Biofilm) : eps_Xpn_ini*rho_X
Xpp(Biofilm) : eps_Xpp_ini*rho_X
T (Bulk Volume) : T_wat_ini
T(Biofilm) : T_wat_ini
OIBulk Volume) : 0_wat_in
O(Biofilm) : 0_wat_in
I (Bulk Volume) : O
I (Biofilm) : O
Inflow:
Q_wat_in
Input Fluxes:
Variable : Input Flux
O : Q_wat_in*0_wat_in
Particulate Variables:
Xp p :
Density:
rho X
Attach. Coeff.:
O
Detach. Coeff.:
O
Layer Resist.:
O
Diffusivity:
O
Xpn:
Density:
rho X
Attach. Coeff.:
O
Detach. Coeff.:
O
Layer Resist.:
O
Diffusivity:
O
Xn:
Density:
rho X
Attach. Coeff.:
O
Detach. Coeff.:
O
Layer Resist.:
O
Diffusivity:
O
Dissolved Variables:
T :Layer Resist.:
lambda/D T
f*D_T
Diffusivity:
0:Layer Resist.:
lambda/D O
Diffusivity:
f*D_0
lambda/D I
I:Layer Resist. :
Diffusivity:
f*D_I
Reactor Type:
confined
Reactor Volume:
8.888889e-006
129
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LF_ini
Xn(Biofilm) : eps_Xn_ini*rho_X
Xpn(Biofilm) : eps_Xpn_ini*rho_X
Xpp(Biofilm) : eps_Xpp_ini*rho_X
T (Bulk Volume) : T_wat_ini
T(Biofilm) : T_wat_ini
OfBulk Volume) : 0_wat_in
O(Biofilm) : 0_wat_in
I (Bulk Volume) : O
I (Biofilm) : O
O
Inflow:
Input Fluxes:
Particulate Variables:
Xpp:
rho X
Density:
O
Attach. Coeff.:
O
Detach. Coeff.:
O
Layer Resist.:
O
Diffusivity:
Xpn:
rho X
Density:
O
Attach. Coeff.:
O
Detach. Coeff.:
Layer Resist.:
O
O
Diffusivity:
Xn:
rho X
Density:
Attach. Coeff.:
O
O
Detach. Coeff.:
Layer Resist.:
O
Diffusivity:
O
Dissolved Variables:
lambda/D T
T :Layer Resist.:
f*D T
Diffusivity:
lambda/D O
O :Layer Resist.:
f*D O
Diffusivity:
lambda/D I
I :Layer Resist.:
f*D I
Diffusivity:
confined
Reactor Type:
8.888889e-006
Reactor Volume:
rigid
Biofilm Matrix:
Detach. Velocity:
udefct
A
Film Surface:
O
Rate of epsFl:
10 (low resoli
Num. of Grid Pts:
wat9:
Biofilm Matrix:
Detach. Velocity:
Film Surface:
Rate of epsFl:
N u m . of Grid Pts:
rigid
udefct
A
O
10 (low resolution)
diffS:
Diffusive Link
Type:
Compartment I :
gas5
Bulk Volume
Connection I:
wat5
Compartment 2:
Connection 2:
Bulk Volume
Exchange Coefficients:
Variable : Exch. Coeff. Conv. Fact. I
O : qex_0, 1/H_0
T : qex_T, 1/H_T
Links
Diffusive Link
Type:
gasl
Compartment I:
Bulk Volume
Connection I:
watl
Compartment 2:
Bulk Volume
Connection 2:
Exchange Coefficients:
Variable : Exch. Coeff., Conv. Fact. I
O : qex_0, 1/H_0
T : qex_T, 1/H_T
diffS:
Type:
Diffusive Link
Compartment I :
gas6
Connection I :
Bulk Volume
Compartment 2:
wat6
Connection 2:
Bulk Volume
Exchange Coefficients:
Variable : Exch. Coeff., Conv. Fact. I
O : qex_0, 1/H_0
T : qex_T, 1/H_T
diff2:
Type:
Diffusive Link
Compartment I:
gas2
Connection I:
Bulk Volume
Compartment 2:
wat2
Connection 2:
Bulk Volume
Exchange Coefficients:
Variable : Exch. Coeff., Conv. Fact. I
O : qex_0, I / H O
T : qex_T, I/H T
diff7:
Diffusive Link
Type:
gasV
Compartment I :
Bulk Volume
Connection I:
wat7
Compartment 2:
Connection 2:
Bulk Volume
Exchange Coefficients:
Variable : Exch. Coeff., Conv. Fact. I
O : qex_0, 1/H_0
T : qex_T, 1/H_T
diffl:
Diffusive Link
Type:
gasl
Compartment I :
Bulk Volume
Connection I:
watl
Compartment 2:
Bulk Volume
Connection 2:
Exchange Coefficients:
Variable : Exch. Coeff., Conv. Fact. I
O : qex_0, 1/H_0
T : qex_T, 1/H_T
diffS:
Diffusive Link
Type:
gas8
Compartment I :
Bulk Volume
Connection I:
wat8
Compartment 2:
Connection 2:
Bulk Volume
Exchange Coefficients:
Variable : Exch. Coeff., Conv. Fact. I
O : qex_0, 1/H_0
T : qex_T, 1/H_T
diff4:
Diffusive Link
Type:
gas4
Compartment I :
Bulk Volume
Connection I :
wat4
Compartment 2:
Bulk Volume
Connection 2:
Exchange Coefficients:
Variable : Exch. Coeff., Conv. Fact. I
O : qex 0, 1/H_0
diffS:
Type:
Diffusive Link
Compartment I:
gasS
Connection I:
Bulk Volume
Compartment 2:
watS
Connection 2:
Bulk Volume
Exchange Coefficients:
Variable : Exch. Coeff., Conv. Fact. I
O : qex_0, 1/H_0
T : qex_T, 1/H_T
130
diffl:
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
gasl
Outflow
gas2
Inflow
gas2:
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
gas2
Outflow
gas3
Inflow
gas3:
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
gas3
Outflow
gas4
Inflow
gas4:
Type:
Compartment In:
Connection In:
Compartment Ou t :
Connection Ou t :
Bifurcations:
Advective Link
gas4
Outflow
gas5
Inflow
gas5:
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Ou t :
Bifurcations:
Advective Link
gas5
Outflow
gas 6
Inflow
gas 6:
Type:
Compartment In:
Connection In:
Compartment Ou t :
Connection Out:
Bifurcations:
Advective Link
gas6
Outflow
gas?
Inflow
gas7:
Type:
Compartment In :
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
gas7
Outflow
gas8
Inflow
gas8:
Type:
Compartment In :
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
gas8
Outflow
gas9
Inflow
wat2:
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
wat2
Outflow
watl
Inflow
wat3:
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
wat3
Outflow
wat2
Inflow
wat4:
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
wat4
Outflow
wat3
Inflow
wat5:
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
wat5
Outflow
wat4
Inflow
wat6:
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
wat6
Outflow
wat5
Inflow
wat7:
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
wat7
Outflow
wat6
Inflow
wat8:
Type:
Advective Link
131
gasl:
wat9:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
wat8
Outflow
wat7
Inflow
Type:
Compartment In:
Connection In:
Compartment O u t :
Connection Out:
Bifurcations:
Advective Link
wat9
Outflow
wat8
Inflow
Value : eps_Xpn [0,wat2,Biofilm,50]
Value : e p s X n [0,wat2,Biofilm,50]
epsWatS 50:
epsWatS 50:
Definitions of Sensitivity Analysis Calculations
sensl:
0
0
given, made consistent
I
50
active
Ifilm 50:
Description:
Abscissa:
Title:
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable
Value : eps Xpp
Value : eps Xpn
Value : eps_Xn
Description:
Abscissa:
Title:
Space
eps WatS @ day 50
z [m]
eps
[CalcNum,Comp. ,Zone,Time/Space]
[0,wat5,Biofilm,50]
[0,wat5,Biofilm,50]
[0,wat5,Biofilm, 50]
Space
eps WatS @ day 50
z [m]
eps
[CalcNum,Comp. ,Zone,Time/Space]
[0,wat8,Biofilm,50]
[0,wat8,Biofilm,50]
[0,wat8,Biofilm,50]
Space
Intermediate cone, in
biofilm @ day
50
Abscissa Label:
z [m]
Ordinate Label:
O
[g/m3]
Curves:
Type : Variable [CalcNum,Comp. ,Zone,Time/Space]
Value : I [0,wat2,Biofilm,50]
Value : I [0, wat5,Biofilm,50]
Value : I [0,wat8,Biofilm,50]
Plot Definitions
epsWatl_50:
epsWat2_50:
Description:
Abscissa:
Title:
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable
Value : eps_Xpp
Value : eps_Xpn
Value : e p s X n
Space
eps Watl @ day 50 (S.S)
z [m]
eps
[CalcNum,Comp.,Zone,Time/Space]
[0,watl, Biofilm, 50]
[0,watl, Biofilm, 50]
[O.watl,Biofilm,50]
Description:
Space
Abscissa:
eps Wat2 @ day 50
Title:
z [m]
Abscissa Label:
eps
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : eps_Xpp [0,wat2,Biofilm,50]
LF:
Description:
Abscissa:
Time
Title:
Thickness
Abscissa Label:
t [d]
Lf [m]
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : LF [0,watl,Biofilm,0]
Value : LF [0,wat9,Biofilm,0]
Value :
i LF [0,wat5,Biofilm,0]
Value : LF [0,wat2,Biofilm, 50]
132
Description:
Calculation Number:
Initial Time:
Initial State:
Step Size:
Nurn. Steps:
Status:
Description:
Abscissa:
Title:
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable
Value : eps Xpp
Value : eps Xpn
Value : eps_Xn
Ofilm 50:
Description:
Abscissa:
Title:
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : O [0,wat2,Biofilm,50]
Value : O [0,wat5,Biofilm,50]
Value : O [0,wat8,Biofilm,50]
Ovapor:
Tfilm 50:
Description:
Time
Abscissa:
Oxygen in vapor phase
Title:
t
[days]
Abscissa Label:
Toluene
[ppm]
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : O [0,gas2,Bulk Volume,30]
Value : O [0,gas5,Bulk Volume,30]
Value : O gas in [0,gasl,Bulk Volume,30]
Value : O [0,gas8,Bulk Volume,30]
Value : O [0,gas9,Bulk Volume,30]
Description:
Time
Abscissa:
Sensitivity plot
Title:
t [d]
Abscissa Label:
d T_use
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
SensRelRel : T_use(H_T) [0,gas9,Bulk Volume,0]
SensRelRel : T_use(rho_X) [0,gas9,Bulk Volume,0]
SensAbsRel : T_use(H_T) [0,gas9,Bulk Volume,0]
SensAbsRel : T_use(rho_X) [0,gas9,Bulk Volume,0]
Description:
Abscissa:
Title:
Space
Toluene cone, in biofilm 6
day 50
z [m]
T
[g/m3]
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value :: T [0,wat2,Biofilm,50]
Value : T [0,wat5,Biofilm,50]
Value : T [0,wat8,Biofilm, 50]
Tuse:
Description:
Tvapor:
Description:
Abscissa:
Time
Title:
Toluene in vapor phase
Abscissa Label:
t [days]
Ordinate Label:
Toluene
[ppm]
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : T_ppm [0,gas2,Bulk Volume,30]
Value : T_ppm [0,gas5,Bulk Volume,30]
Value : T_gas_in_exp [0,gasl,Bulk Volume,30]
Value : T_ppm [0,gas8,Bulk Volume,30]
Value : T_ppm [0,gas9,Bulk Volume,30]
Description:
Space
Abscissa:
Title:
Toluene cone, in water
Abscissa Label:
z [m]
Ordinate Label:
T
[g/m3]
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value
[0,wat2,Bulk Volume,30]
Value
[0,wat9,Bulk Volume,30]
Value
[0,wat5,Bulk Volume,30]
Value
[0,wat8,Bulk Volume,30]
*****************************************************************
Twater:
*****************************************************************
Calculation Parameters
Numerical Parameters:
Maximum Int. Step Size:
I
Maximum Integrat. Order: 5
Number of Codiagonals:
1000
Maximum Number of Steps: 1000
Grid Time Constant:
0
Options:
Calculation Number:
Initial Time:
Initial State:
Step Size:
Number of Steps:
0
0
given, made
consistent
I
50
133
sensitivity:
Abscissa:
Time
Title:
Degradation of toluene
Abscissa Label:
t [day]
Ordinate Label:
g tol/day
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : T_use [0,gas9,Bulk Volume,0]
Space
Oxygen cone, in biofilm @
day 50
z [m]
O
[g/m3]
Fit Method:
Ma x . Number of Iterat.:
simplex
200
*****************************************************************
Calculated States
*****************************************************************
Calc. Nurn.
0
Nurn. States
51
Comments
Range of Times: 0 - 5 0
*****************************************************************
134
Parameter Estimation: inactive
APPENDIX C .4 - AQUASIM data file for Case 4
AQUASIM Version I.Oe - Listing of System Definition
conv_tol:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
CASE 4 - Bench scale vapor phase bioreactor experiment
Date and time of listing:
04/27/1996
16:09:06
Variables
A:
ade:
b X:
Biofilm surface area
Constant Variable
m2
0.65
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Detachment coefficient
Constant Variable
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Gas-liquid interface area
Constant Variable
m2
0.65
0.1
0.4
I
inactive
inactive
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Endogenous rate coefficient
Constant Variable
1/d
0.65
0.2
0
3
inactive
-
0.00316
I
0
10
inactive
inactive
D I:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
diffusivity of intermediates
Constant Variable
m2/d
7e-005
I
0
10
inactive
inactive
D 0:
Description:
Type:
Unit:
Expression:
Diffusivity of oxygen in
water
Formula Variable
m A2/d
0.000216
D Oa:
Description:
Type:
Unit:
Expression:
Diffusion of oxygen in air
Formula Variable
m A2/d
1.5379
D T:
water
Description:
Diffusivity of toluene in
Type:
Unit:
Expression:
Formula Variable
m A2/d
6.89e-005
D Ta:
Description:
Type:
Unit:
Expression:
Diffusion of toluene in air
Formula Variable
m A2/d
0.72
D_X:
Description:
Diffusivity of biomass in
water
Formula Variable
m A2/d
0.1
0.4
I
inactive
inactive
0.2
I
0
10
inactive
inactive
Conversion factor: ppm
toluene in air
g toluene/m3 air
Constant Variable
Type:
Unit:
135
Ag l :
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Description:
Expression:
d_X:
eps_Xn:
eps_Xn_ini:
Death rate coefficient for
cells
Constant Variable
Type:
1/d
Unit:
0.1
Value:
0.1
Standard Deviation:
0
Minimum:
5
Maximum:
Sensitivity Analysis: inactive
Parameter Estimation: inactive
Description:
Description:
Type:
Unit:
Expression:
Volume fraction of biomass
Formula Variable
Description:
Initial volume fraction of
Xn cells
Formula Variable
Type:
Unit:
Expression:
eps_Xpn_ini:
eps_Xpp:
eps_Xpp_ini:
f:
Description:
Initial volume fraction of
Xpn cell
Type:
Unit:
Expression:
Formula Variable
Description:
Type:
Unit:
Expression:
Volume fraction of biomass
Formula Variable
Description:
Initial volume fraction of
Xpp cell s
Formula Variable
Description:
Type:
f_toluene:
Xpn/rho_X
H_0:
oxygen
Description:
Description:
-
0.2
I
0
10
inactive
inactive
fraction of toluene not
completely metabolived (->
intermediates)
Constant Variable
-
0.2
I
0
10
inactive
inactive
Henry's law coeff. for
Constant Variable
<g02/mA3 air)/(g02/mA3
water)
Value:
43
Standard Deviation:
3
Minimum:
10
Maximum:
100
Sensitivity Analysis: inactive
Parameter Estimation: inactive
Xpp/rho_X
biofilm diffusivity / bulk
liquid diffusivity
Constant Variable
fraction of death and decay
converted to intermediates
Constant Variable
Type:
Unit:
0.01
0.06
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
0.01
Volume fraction of biomass
Formula Variable
0.8
I
0
10
inactive
inactive
Type:
Unit:
value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Xn/rho_X
Description:
Type:
Unit:
Expression:
Type:
Unit:
Expression:
f_cells:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
H_T:
Description:
Type:
Unit:
Value:
Henry's law coeff. for
toluene
Constant Variable
(g toluene/mA3 air) /
(g toluene/mA3
water)
0.19
136
eps_Xpn:
0.0001
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
0.03
0.1
0.7
active
inactive
I:
Description:
Type:
Unit:
Relative Accuracy:
Absolute Accuracy:
Intermediates
Dyn. Volume State Va r .
g/m3
le-006
le-006
KSJt:
half sat. const, for
intermediates
Constant Variable
Type:
g/m3
Unit:
2
Value:
Standard Deviation:
I
0
Minimum:
10
Maximum:
Sensitivity Analysis: inactive
Parameter Estimation: inactive
KS_0:
K CL:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Genetic loss coeff. I
Constant Variable
1/d
0.003275
I
0
10
inactive
inactive
K_GL2:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Genetic loss coeff. 2
Constant Variable
1/d
0.00637
I
0
10
inactive
inactive
K_I:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Inhibition constant
Constant Variable
g/m3
42.78
5
0
100
inactive
inactive
K_IN J :
Description:
Type:
Unit:
Expression:
Rate of injury
Formula Variable
1/day
if T>2 then K INJ2*(T0.2474) else K_INJ1*T endif
K_IN Jl :
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Injury coeff. I
Constant Variable
1/d
0.0339
I
0
10
inactive
inactive
K_INJ2:
Description:
Type:
Unit:
Injury coeff. 2
Constant Variable
1/d
Description:
half-sat. constant for
oxygen
Constant Variable
Type:
g/m3
Unit:
0.025
Value:
0.005
Standard Deviation:
0
Minimum:
I
Maximum:
Sensitivity Analysis: inactive
Parameter Estimation: inactive
Description:
half-sat. constant for
toluene
Constant Variable
Type:
g/m3
Unit:
3.98
Value:
I
Standard Deviation:
0
Minimum:
10
Maximum:
Sensitivity Analysis: inactive
Parameter Estimation: inactive
Description:
Description:
Type:
Unit:
Expression:
Rate of genetic loss
Formula Variable
1/day
if T>2 then K GL2 * (T0.9674) else K GL1*T endif
137
KS T :
K_GL1:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
lambda:
lambda_gl:
0.0388
I
0
10
inactive
inactive
Boundary layer thickness
(liquid-biofilm boundary)
Constant Variable
Type:
m
Unit:
2.5e-005
Value:
5e-006
Standard Deviation:
5e-006
Minimum:
0.0001
Maximum:
Sensitivity Analysis: inactive
Parameter Estimation: inactive
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
max specific growth rate on
intermediates
Type:
Constant Variable
Unit:
1/d
Value:
5
Standard Deviation:
I
Minimum:
0
Maximum:
10
Sensitivity Analysis: inactive
Parameter Estimation: inactive
0:
Description:
Type:
Unit:
Relative Accuracy:
Absolute Accuracy:
Oxygen concentration
Dyn. Volume State Va r .
g/m3
0.0001
0.0001
0_gas_in:
Description:
Concentration of oxygen in
influent gas
Formula Variable
g 02/m3 air
298.4
Description:
Type:
Unit:
Expression:
Ouse:
LF:
LF ini:
LF max:
mu max:
Description:
Type:
Unit:
Reference to:
Biofilm thickness
Program Variable
m
Biofilm Thickness
Description:
Type:
Unit:
Expression:
Initial biofilm thickness
Formula Variable
m
Se-OOS
Description:
Type:
Unit:
Expression:
Maximum biofilm thickness
Formula Variable
m
0.001
Description:
Maximum specific growth rate
of cells
Constant Variable
1/d
10.08
I
Type:
Unit:
Value:
Standard Deviation:
Description:
Description:
Type:
Unit:
Expression:
0_wat_in:
Description:
Type:
Unit:
Expression:
qex_0:
Description:
Type:
Unit:
Expression:
qex_T:
Description:
Type:
Unit:
Calculated Utilization of
Oxygen
Formula Variable
g/day
Q_gas_in*(0_gas_in-0)
Concentration of oxygen in
influent water
Formula Variable
g 02/m3 water
7
Exchange coeff. for 0 (gas
to liquid)
Formula Variable
m A3/d
Agl*D_Oa/lambda gl
Exchange coeff. of T (gas to
liquid)
Formula Variable
m A3/d
138
mu_max_I:
Description:
Boundary layer thickness
(gas-liquid boundary)
Constant Variable
Type:
m
Unit:
le-005
Value:
5e-006
Standard Deviation:
le-006
Minimum:
Se-OOS
Maximum:
Sensitivity Analysis: inactive
Parameter Estimation: inactive
5
20
inactive
inactive
Agl*D_Ta/lambda_gl
Q_gas_i n :
Description:
Type:
Unit:
Expression:
Flow rate of gas
Formula Variable
m3/d
1.44
Q_wat_in:
Description:
Type:
Unit:
Expression:
Flow rate of water
Formula Variable
m3/d
0.00288
rho_X:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Biomass density
Constant Variable
g/nr3
50000
5000
25000
100000
active
inactive
T:
Description:
Type:
Unit:
Relative Accuracy:
Absolute Accuracy:
Toluene concentration
Dyn. Volume State Va r .
g/m3
0.0001
0.0001
t:
Description:
Type:
Unit:
Reference to:
Time
Program Variable
d
Time
T_ 9as_in:
Description:
Type:
Unit:
Expression:
Toluene gas concentration in
bottom
Formula Variable
g toluene/m3 air
T gas in_exp*conv_tol
Description:
Type:
Unit:
Expression:
Formula Variable
mg toluene/kg air
T_gas_in
T_gas_ini:
T_gas_in_exp :
Description:
Type:
Unit:
Argument:
Standard Deviations:
Concentration of toluene in
gas (bottom of column)
Real List Variable
ppm
t
global
Rel. Stand. Deviat.: O
Abs. Stand. Deviat.:
I
Minimum:
0
Maximum:
10000
Interpolation Method: linear interpolation
Sensitivity Analysis: inactive
Real Data Pairs (7 pairs):
I
150
10
150
147
17
36
149
38
144
51
151
52
152
T gas_mid_exp: Description:
Type:
Real List Variable
Unit:
ppm
Argument:
t
Standard Deviations: global
Rel. Stand. Deviat.: 0
Ab s . Stand. Deviat.: I
Minimum:
0
Maximum:
10000
Interpolation Method: linear interpolation
Sensitivity Analysis: inactive
Real Data Pairs (5 pairs):
10
38.5
17
41.2
36
31.5
51
29.5
52
32.4
T_gas_°ut :
Description:
Type:
Unit:
Expression:
T_gas_out_exp: Description:
Type:
Unit:
Argument:
Standard Deviations:
Rel. Stand. Deviat,
.:
Ab s . Stand. Deviat,
.:
Minimum:
Maximum:
Interpolation Method:
Sensitivity Analysis:
Toluene concentration in the
top of the column
Formula Variable
g toluene/m3 air
T_9as_ out_exP*conv_tol
Real List Variable
ppm
t
global
0
I
0
10000
linear interpolation
inactive
139
Expression:
Real Data Pairs
10
17
36
38
51
52
T_ppm:
T use:
toluene
T_u se_exp:
(6 pairs):
29
24.6
20.7
17.2
18.7
17.3
Description:
Calculated utilization of
Type:
Unit:
Expression:
Formula Variable
g/day
Q_gas_in*(T_gas_in-T)
Description:
Calculated utilization of
toluene
Formula Variable
g/day
Q_gas_in*(T_gas_inT_gas_out)
Type:
Unit:
Expression:
T wat ini:
Description:
Type:
Unit:
Expression:
Dyn. Volume State Var.
g/m3
le-006
le-006
Xpp:
Description:
Type:
Unit:
Relative Accuracy:
Absolute Accuracy:
Xpp cells
Dyn. Volume State Var.
g cell/mA3
0.0001
0.01
Y I:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Yield of Xn on intermediates
Constant Variable
Y 0:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Parameter Estimation:
Yield of biomass on oxygen
Constant Variable
g biomass / g oxygen
0.55
0.2
0
2
inactive
inactive
Y_0b:
Description:
Yield of biomass on oxygen
for endogenous decay
Type:
Constant Variable
Unit:
g biomass/g oxygen
Value:
0.55
Standard Deviation:
0.2
Minimum:
0
Maximum:
2
Sensitivity Analysis: inactive
Parameter Estimation: inactive
Y T:
Description:
Type:
Unit:
Value:
Standard Deviation:
Minimum:
Maximum:
Sensitivity Analysis:
Formula Variable
mg toluene/kg water
T_gas_in/H_T
Detachment velocity function
Formula Variable
m/d
if uF>0 then ade*uF else 0
endif
udefct:
Description:
Type:
Unit:
Expression:
uF:
Description:
Type:
Unit:
Reference to:
Program Variable
m/d
Growth Velocity of Biofilm
Xn:
Description:
Type:
Unit:
Relative Accuracy:
Absolute Accuracy:
Xn cells
Dyn. Volume State Va r .
g/m3
le-006
le-006
Xpn:
Description:
Xpn cells
g/g
0.5
I
0
10
inactive
inactive
Yield of biomass on toluene
Constant Variable
g biomass/g toluene
0.86
0.2
0
2
inactive
140
Type:
Unit:
Expression:
Calculated ppm toluene in
vapor
Formula Variable
ppm
T/conv_tol
Description:
Type:
Unit:
Relative Accuracy:
Absolute Accuracy:
I : f_toluene/Y_T
Parameter Estimation: inactive
z:
Description:
Type:
Unit:
Reference to:
Injury:
Description:
Rate of injury (Xpp to Xpn)
Type:
Dynamic Process
Rate:
K_lNJ*Xpp
Stoichiometry:
Variable : Stoichiometric Coefficient
Xpp : -I
Xpn : I
Xn_growth:
Description:
Program Variable
m
Space Coordinate Z
*****************************************************************
Processes
Death of Xpn cells
Description:
Dynamic Process
Type:
d_ X
Rate:
Stoichiometry:
Variable : Stoichiometric Coefficient
Xpn : -Xpn
Xn : -Xn
I : f_cells*(Xpp+Xpn+Xn)
Xpp : -Xpp
Edecay:
Description:
Endogenous decay
Type:
Dynamic Process
Rate:
b_X*0/(KS_0+0)
Stoichiometry:
Variable : Stoichiometric Coefficient
0 : -(Xpp+Xn)/Y_Ob
Xpp : -Xpp
Xn : -Xn
1 : f_cells*(Xpp+Xn)
GenLoss:
Description:
Rate of genetic loss (Xpp to
Xn )
Dynamic Process
K_GL*Xpp
Type:
Rate:
Stoichiometry:
Variable : Stoichiometric Coefficient
Xpp : -I
Xn : I
Type:
Rate:
Stoichiometry:
Variable : Stoichiometric Coefficient
Xn : I
0 : -1/Y_0
1 : -1/Y I
Compartments
*****************************************************************
gasl:
Description:
Bottom gas volume
Type:
Mixed Reactor Compartment
Active Variables:
T, O
Active Processes:
Initial Conditions:
Variable(Zone) : Initial Condition
T (Bulk Volume) : T_gas_in
OtBulk Volume) : 0_gas_in
Inflow:
Q_gas_in
Input Fluxes:
Variable : Input Flux
T : Q_gas_in*T_gas_in
O : Q_gas_in*0_gas_in
Volume:
0.000475
gas2:
Growth:
Description:
Type:
Rate:
Growth/utilization process
Dynamic Process
mu_max*T/(KS_T+T+T*T/K_I)*0 / (KS_0+0
>*Xpp
Stoichiometry:
Variable : Stoichiometric Coefficient
Xpp : I
T : -1/Y_T
O :
-V Y
O
Description:
Bottom gas volume
Type:
Mixed Reactor Compartment
Active Variables:
T, 0
Active Processes:
Initial Conditions:
Variable(Zone) : Initial Condition
T (Bulk Volume) : T_gas_in
0 (Bulk Volume) : 0_gas_in
Inflow:
0
Input Fluxes:
141
Death:
Growth of Xn cells on
intermediates
Dynamic Process
mu_max_I*I/(KS_I+I)*0/(KS_0+0)*Xn
Volume:
gas 3:
gas 4:
Bottom gas volume
Description:
Mixed Reactor Compartment
Type:
T, O
Active Variables:
Active Processes:
Initial Conditions:
Variable(Zone) : Initial Condition
T (Bulk Volume) : T gas in
O (Bulk Volume) : O gas in
Inflow:
O
Input Fluxes:
0.000475
Volume:
Bottom gas volume
Description:
Mixed Reactor Compartment
Type:
T, 0
Active Variables:
Active Processes:
Initial Conditions:
Variable(Zone) : Initial Condition
T (Bulk Volume) : T gas in
O (Bulk Volume) : 0 gas in
Inflow:
0
Input Fluxes:
0.00475
Volume:
Description:
Type:
Active Variables:
Active Processes:
Bottom water volume (surface
water film and biofilm)
Biofilm Reactor Compartment
T , 0, Xpp, Xpn, Xn, I
Edecay, GenLoss, Growth,
Injury, Xn growth. Death
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LF ini
Xn(Biofilm) : eps_Xn_ini*rho_X
Xpn(Biofilm) : eps_Xpn_ini*rho_X
Xpp(Biofilm) : eps_Xpp_ini*rho_X
T (Bulk Volume) : T_wat_ini
T(Biofilm) : T_wat_ini
O (Bulk Volume) : 0_wat_in
O(Biofilm) : 0_wat_in
I (Bulk Volume) : 0
I (Biofilm) : 0
Inflow:
0
Input Fluxes:
Particulate Variables:
Xpp:
Density:
rho_X
Attach. Coeff.:
0
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Xpn:
Density:
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Xn:
Density:
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Dissolved Variables:
T :Layer Resist.:
Diffusivity:
0:Layer Resist.:
Diffusivity:
I :Layer Resist.:
Diffusivity:
Reactor Type:
Reactor Volume:
Biofilm Matrix:
Detach. Velocity:
Film Surface:
Rate of epsFl:
Mum. of Grid Pts:
O
O
O
Description:
Bottom water volume (surface
water film and biofilm)
Biofilm Reactor Compartment
T , 0, Xpp, Xpn, Xn, I
Edecay, GenLoss, Growth,
Injury, Xn_growth, Death
Type:
Active Variables:
Active Processes:
rho_X
O
O
O
O
rho_X
O
O
O
O
lambda/D_T
f*D_T
lambda/D_0
f *D_0
lambda/D_I
f *D_I
confined
0.00026
rigid
udefct
A
0
10 (high resolution)
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LF_ini
Xn(Biofilm) : eps_Xn_ini*rho_X
Xpn(Biofilm) : eps_Xpn_ini*rho_X
Xpp(Biofilm) : eps_Xpp_ini*rho_X
T (Bulk Volume) : T_wat_ini
T(Biofilm) : T_wat_ini
O (Bulk Volume) : 0_wat_in
O(Biofilm) : 0_wat_in
I (Bulk Volume) : O
I (Biofilm) : O
Inflow:
O
Input Fluxes:
142
watl:
0.000475
wat3:
Description:
Type:
Active Variables:
Active Processes:
Bottom water volume (surface
water film and biofilm)
Biofilm Reactor Compartment
T, 0, Xpp, Xpn, Xn , I
Edecay, GenLoss, Growth,
Injury, Xn_growth, Death
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LF_ini
Xn(Biofilm) : eps_Xn_ini*rho_X
Xpn(Biofilm) : eps_Xpn_ini*rho_X
Xpp(Biofilm) : eps_Xpp_ini*rho_X
T (Bulk Volume) : T_wat_ini
T(Biofilm) : T_wat_ini
O (Bulk Volume) : 0_wat_in
O(Biofilm) : 0_wat_in
wat4:
Description:
Type:
Active Variables:
Active Processes:
O
rho_X
O
O
O
O
rho_X
O
O
O
O
rhoX
O
O
O
O
lambda/D_T
f*D_T
lambda/D_0
f*D_0
lambda/D_I
f*D_I
confined
0.00026
rigid
udefct
A
O
10 (low resolution)
Bottom water volume (surface
water film and biofilm)
Biofilm Reactor Compartment
T, 0, Xpp, Xpn, Xn, I
Edecay, GenLoss, Growth,
Injury, Xn_growth, Death
Initial Conditions:
Variable(Zone) : Initial Condition
LF(Biofilm) : LF_ini
Xn(Biofilm) : eps_Xn_ini*rho_X
Xpn(Biofilm) : eps_Xpn_ini*rho_X
Xpp(Biofilm) : eps_Xpp_ini*rho_X
143
I (Bulk Volume) : O
I (Biofilm) : O
Inflow:
Input Fluxes:
Particulate Variables:
Xp p :
Density:
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Xp n :
Density:
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Xn:
Density:
Attach. Coeff.:
Detach. Coeff.:
Layer Resist.:
Diffusivity:
Dissolved Variables:
T :Layer Resist.:
Diffusivity:
O :Layer Resist. :
Diffusivity:
I :Layer Resist.:
Diffusivity:
Reactor Type:
Reactor Volume:
Biofilm Matrix:
Detach. Velocity:
Film Surface:
Rate of epsFl:
Nu m . of Grid Pts :
Particulate Variables:
Xpp:
rho_X
Density:
O
Attach. Coeff.:
O
Detach. Coeff.:
O
Layer Resist.:
O
Diffusivity:
Xp n :
rhoX
Density:
O
Attach. Coeff.:
O
Detach. Coeff.:
O
Layer Resist.:
O
Diffusivity:
Xn:
rho_X
Density:
O
Attach. Coeff.:
O
Detach. Coeff.:
O
Layer Resist.:
Diffusivity:
O
Dissolved Variables:
lambda/D_T
T :Layer Resist.:
f*D_T
Diffusivity:
lambda/D_0
0:Layer Resist.:
f*D__0
Diffusivity:
lambda/D_I
I:Layer Resist.:
f*D_I
Diffusivity:
confined
Reactor Type:
0.00026
Reactor Volume:
rigid
Biofilm Matrix:
udefct
Detach. Velocity:
A
Film Surface:
O
Rate of epsFl:
10 (low resolution)
Nu m . of Grid Pts:
Links
*****************************************************************
diffl:
Type:
Diffusive Link
Compartment I:
gasl
Connection I:
Bulk Volume
Compartment 2:
watl
Connection 2:
Bulk Volume
Exchange Coefficients:
Variable : Exch. Coeff., Conv. Fact. I
O : qex_0, 1/H_0
T : qex_T, 1/H_T
diff2:
Type:
Diffusive Link
Compartment I :
gas2
Connection I:
Bulk Volume
Compartment 2:
wat2
Connection 2:
Bulk Volume
Exchange Coefficients:
Variable : Exch. Coeff., Conv. Fact. I
O : qex_0, 1/H_0
T : qex_T, 1/H_T
diff3:
Type:
Diffusive Link
Compartment I:
gas3
Connection I:
Bulk Volume
Compartment 2:
wat3
Connection 2:
Bulk Volume
Exchange Coefficients:
Variable : Exch. Coeff., Conv. Fact. I
O : qex_0, 1/H_0
T : qex_T, 1/H_T
dif f4:
Type:
Diffusive Link
Compartment I:
gas4
Connection I :
Bulk Volume
Compartment 2:
wat4
Connection 2:
Bulk Volume
Exchange Coefficients:
Variable : Exch. Coeff., Conv. Fact. I
O : qex_0, 1/H_0
T : qex_T, 1/HJT
gasl:
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
gasl
Outflow
gas2
Inflow
gas2:
Type:
Compartment In:
Connection In:
Compartment Out:
Advective Link
gas2
Outflow
gas3
144
T (Bulk Volume) : T_wat_im
T(Biofilm) : T_wat_ini
O (Bulk Volume) : 0_wat_in
O(Biofilm) : 0_wat_in
I (Bulk Volume) : O
I (Biofilm) : O
Inflow:
Q_wat_in
Input Fluxes:
Variable : Input Flux
O : Q_wat_in*0_wat_in
Particulate Variables:
Xpp:
rho_X
Density:
O
Attach. Coeff.:
O
Detach. Coeff. :
O
Layer Resist.:
O
Diffusivity:
Xpn:
rho_X
Density:
O
Attach. Coeff.:
O
Detach. Coeff.:
Layer Resist.:
O
O
Diffusivity:
Xn:
rho_X
Density:
O
Attach. Coeff.:
Detach. Coeff.:
O
O
Layer Resist.:
Diffusivity:
O
Dissolved Variables:
lambda/D_T
T :Layer Resist.:
f*D_T
Diffusivity:
lambda/D_0
O :Layer Resist.:
f*D_0
Diffusivity:
lambda/D_I
I:Layer Resist.:
f *D_I
Diffusivity:
confined
Reactor Type:
0.00026
Reactor Volume:
rigid
Biofilm Matrix:
udefct
Detach. Velocity:
A
Film Surface:
O
Rate of epsFl:
10 (low resolution)
Nu m . of Grid Pts:
gas3:
wat 2 :
wat 3 :
Inflow
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
gas3
Outflow
gas4
Inflow
Type:
Compartment In:
Connection In:
Compartment Out:
Connection Out:
Bifurcations:
Advective Link
wat2
Outflow
watl
Inflow
Type:
Compartment In:
Connection In:
Compartment Ou t :
Connection Out:
Bifurcations:
Advective Link
wat3
Outflow
wat2
Inflow
Type:
Compartment In:
Connection In:
Compartment Ou t :
Connection Out:
Bifurcations:
Advective Link
wat4
Outflow
wat3
Inflow
Abscissa:
Title:
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable
Value : eps Xpp
Value : eps Xpn
Value : eps_Xn
epsWatl 50:
epsWat2 50:
epsWat3 50:
Definitions of Sensitivity Analysis Calculations
sensl:
Description:
Calculation Number:
Initial Time:
Initial State:
Step Size:
Num. Steps:
Status:
0
0
given, made consistent
I
50
active
epsWat4_50:
Plot Definitions
epsWatl:
Description:
Description:
Abscissa:
Title:
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable
Value : eps Xpp
Value : eps Xpn
Value : eps_Xn
Description:
Abscissa:
Title:
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable
Value : eps Xpp
Value : eps Xpn
Value : eps_Xn
Description:
Abscissa:
Title:
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable
Value : eps Xpp
Value : eps Xpn
Value : eps_Xn
Space
eps Watl
z [m]
eps
[CalcNum,Comp.,Zone,Time/Space]
[0,watl,Biofilm,40]
[0,watl, Biofilm,40]
[0,watl,Biofilm,40]
Space
eps Watl 0 day 50
z [m]
eps
[CalcNum,Comp.,Zone,Time/Space]
[0,watl,Biofilm,50]
[0,watl,Biofilm,50]
[0,watl,Biofilm,50]
Space
eps Wat2 0 day 50
z [m]
eps
[CalcNum,Comp.,Zone,Time/Space]
[0,wat2,Biofilm,50]
[0,wat2,Biofilm,50]
[0,wat2, Biofilm,50]
Space
eps Wat3 0 day 50
z [m]
eps
[CalcNum,Comp.,Zone,Time/Space]
[0,wat3,Biofilm,50]
[0,wat3,Biofilm,50]
[0,wat3,Biofilm,50]
Description:
Abscissa:
Space
Title:
eps Wat4 0 day 50
Abscissa Label:
z [m]
Ordinate Label:
eps
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
145
wat4:
Connection Ou t :
Bifurcations:
Value : eps Xpp [0, wat4, Biofilm,50]
Value : eps Xpn [0,wat4,Biofilm,50]
Value : eps_Xn [0,wat4,Biofilm,50]
!film:
Description:
Abscissa:
Title:
Ofilm 50:
Description:
Abscissa:
Title:
LR:
Description:
Abscissa:
Time
Title:
Oxygen in vapor phase
Abscissa Label:
t [days]
Ordinate Label:
Toluene
[ppm]
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : O [0,gas2,Bulk Volume,30]
Value : 0_gas_in [0,gasl,Bulk Volume,30]
Value : O [0,gas4,Bulk Volume,30]
sensitivity:
Description:
Abscissa:
Time
Title:
Sensitivity plot
Abscissa Label:
t [d]
Ordinate Label:
d T use
Curves:
Type : Variable [CalcNum,Comp.,Zone, Time/Space]
SensRelRel : T_use(H_T) [0,gas4,Bulk Volume,0]
SensRelRel : T_use(rho_X) [0,gas4,Bulk Volume,0]
SensAbsRel : T_use(H_T) [0,gas4,Bulk Volume,0]
SensAbsRel : T_use(rho_X) [0,gas4,Bulk Volume,0]
Description:
Space
Abscissa:
Injury and GL coefficients
Title:
t [d]
Abscissa Label:
coeff.
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : K GL [0,watl,Biofilm,4]
Value : K_INJ [O.watl,Biofilm,4]
Description:
Time
Abscissa:
Thickness
Title:
Abscissa Label:
t [d]
Lf [m]
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : LF [0, watI, Biofilm,0]
Value : LF [0,wat4,Biofilm,0]
Value : LF [0,wat3,Biofilm,0]
Value : LF [0,wat2,Biofilm,0]
Tfilm:
Abscissa:
Space
Title:
Toluene cone. in biofilm
Abscissa Label:
z [m]
Ordinate Label:
T [g/m3]
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : T [0,wat2,Biofilm,4]
Tfilm 50:
Description:
Abscissa:
Title:
Space
Toluene cone, in biofilm @
day 50
146
KGLINJ:
Ovapor:
Space
Intermediates cone, in
biofilm @ S .
z [m]
Abscissa Label:
T
[g/m3]
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : I [0,wat2,Biofilm,50]
Value : I [O.watl, Biofilm,50]
Value : I [0,wat3,Biofilm,50]
Value : I [0,wat4,Biofilm,50]
Space
Oxygen cone, in biofilm @
day 50
z [m]
O
[g/m3]
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp., Zone,Time/Space]
Value : O [0,wat2,Biofilm,50]
Value : O [0,watI,Biofilm,50]
Value : O [0,wat3,Biofilm,50]
Value : O [0,wat4,Biofilm,50]
Space
Intermediates cone, in
biofilm
z [m]
T
[g/m3]
Abscissa Label:
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : I [0,watl,Biofilm,40]
Value : I [0,wat4,Biofilm,40]
!film 50:
Description:
Abscissa:
Title:
Abscissa Label:
z [m]
Ordinate Label:
T
[g/m3]
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : T [0,wat2,Biofilm,50]
Value : T [0,watl,Biofilm,50]
Value : T [0,wat3,Biofilm,50]
Value : T [0,wat4,Biofilm, 50]
Tuse:
Tvapor:
Description:
Time
Abscissa:
Degradation of toluene
Title:
t [day]
Abscissa Label:
g tol/day
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : T_use [0,,gas4,Bulk Volume,0]
Value : T_use_ex[3 [0,gasl,Bulk Volume,0]
Tvaporl:
Description:
Time
Abscissa:
Toluene in vapor phase
Title:
t
[days]
Abscissa Label:
Toluene
[ppm]
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone, Time/Space]
Value :: T_ppm [0 ,gas2,Bulk Volume,14]
Value :: T_ppm [0 ,gasl,Bulk Volume,14]
Twater:
Description:
Space
Abscissa:
Toluene cone, in water
Title:
z [m]
Abscissa Label:
T
[g/m3]
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : T [0,wat2,Bulk Volume,4]
*****************************************************************
Calculation Parameters
*****************************************************************
Numerical Parameters:
Maximum Int. Step Size:
I
Maximum Integrat. Order: 4
Number of Codiagonals:
1000
Maximum Number of Steps: 1000
Grid Time Constant:
0
Options:
Calculation Number:
Initial Time:
Initial State:
0
0
given, made
consistent
Step Size:
I
Number of Steps:
54
Fit Method:
simplex
Max. Number of Iterat.:
200
*****************************************************************
*****************************************************************
Calculated States
*****************************************************************
Calc. N u m . Nurn. States Comments
0
59
Range of Times: 0 - 56.982301
*****************************************************************
147
Description:
Time
Abscissa:
Toluene in vapor phase
Title:
t
[days]
Abscissa Label:
Toluene
[ppm]
Ordinate Label:
Curves:
Type : Variable [CalcNum,Comp.,Zone,Time/Space]
Value : T ppm [0,,gas2,Bulk Volume,30]
Value : T gas in exp [0,gasl,Bulk Volume,30]
Value : T ppm [0,rgas4,Bulk Volume,30]
Value : T gas out exp [0,gas4,Bulk Volume,0]
Value : T gas mid exp [0,gasl,Bulk Volume,0]
Value : T [0,wat4,Bulk Volume,4]
*****************************************************************
MONTANA STATE UNIVERSiTY LIBRARIES
3 1762 10 2 3 8 2 4 3
Z