Analysis Assignment
Two Tasks:
 Prepare a partial mass balance
 Run lab experiments and
calculate kinetic coefficients
Required Files
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Information about the assignment is in
“Analysis & Planning”
Background information is in “Basic
Data”
See “Laboratory Facilities” for
instructions on how to run the lab
reactor simulator program
Analysis Assignment
Don Robinson
Mass Balance Streams
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Feed to Syngas process
Output from Syngas process
Added CO2
Feed to methanol process
Intermediate step: 100% CO=>CO2
Output from methanol process (100%
conversion, not equilibrium)
Analysis Assignment
Don Robinson
Components
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Methane
Water
Hydrogen
CO
CO2
Nitrogen
Methanol
Analysis Assignment
Don Robinson
Components cont.
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Also include total stream
Units: kg-moles/hr
Analysis Assignment
Don Robinson
Catalyst Analysis Objective
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Arrhenius constants (A & E)
methanol + CO2 + 3H2 => ethanol + 2H2O
ethanol + 5CO2 + 15H2 => fusel oil + 10H2O
2ethanol => acetone + methanol + H2
E in kJ/kg-mol
A’s (same as kf,kr) some combination of kgmol, hours, m3
Analysis Assignment
Don Robinson
Simulated Runs
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Reactor size (1X2 or 2X12.5 cm)
Temperature (200 & 225°C)
Pressure (fixed at 3900 kPa)
Feed rate (.5 to 20 kg/hr)
Methanol & Ethanol rates (50-2000
gms/hr)
Analysis Assignment
Don Robinson
Data Input
Run Specifications
Reactor Size
Temperature
Feed Rate
Methanol Rate
Ethanol Rate
Analysis Assignment
Small 0
200
1
0
0
C
kg/hr
gms/hr
gms/hr
Don Robinson
Summary of Conditions
Results
Run Number
Reactor Diameter
Reactor Length
Temperature
Feed Rate
Methanol Rate
Ethanol Rate
Analysis Assignment
cm
cm
C
kg/hr
gms/hr
gms/hr
1
1
2
200
1
0
0
2
1
2
200
1
100
0
Don Robinson
Feed
Mass Fraction
Methane
Water
Hydrogen
CO
CO2
Nitrogen
Methanol
Acetone
Heptanol
Ethanol
Analysis Assignment
Base
0.18
0.05
0.11
0.02
0.48
0.16
0
0
0
0
Feed
0.18
0.05
0.11
0.02
0.48
0.16
0
0
0
0
Feed
0.163636
0.045455
0.1
0.018182
0.436364
0.145455
0.090909
0
0
9.09E-12
Don Robinson
Product
Methane
Water
Hydrogen
CO
CO2
Nitrogen
Methanol
Acetone
Heptanol
Ethanol
Analysis Assignment
Product
0.179998
0.05052
0.109831
0.020046
0.478724
0.159998
0.000883
2.15E-13
9.55E-11
3.24E-07
Product
0.163636
0.045752
0.099906
0.018221
0.435639
0.145455
0.091389
9.8E-13
3.19E-10
1.75E-06
Don Robinson
Forward Rate Const. Calcs
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Consider the simple case of A + B  C
Rate = kf [A] [B]
Rate in moles per hour per m3
[A],[B] in moles/m3
Base rate on void volume (void fraction
= .33)
What is the missing parameter?
Analysis Assignment
Don Robinson
Molar Density
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Required to convert mole fraction to
moles/m3
Get from HYSYS model “Start.hsc” on
CD in “Files”
Suggestion: Get one density (at average
feed conditions) for each temperature
you are going to run at and apply this
to the whole reactor
Analysis Assignment
Don Robinson
Variation of K,kf,kr With T
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Arrhenius equation k = A*exp(-E/RT)
Since we will know the k’s at two
different T’s, the only issue is what
value of R to use
Perry’s Handbook has a table of R
values in various units
HYSYS wants E in kJ/kg-mol
Analysis Assignment
Don Robinson
Entering Data in HYSYS
Analysis Assignment
Don Robinson
Check Base, Phase, Units
Analysis Assignment
Don Robinson
Schedule
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A group: Today, Friday, next week
Wednesday
B group: Wednesday, next week
Monday, Friday
If necessary a session on Saturday 27th
Due at start of class Monday September
29
Analysis Assignment
Don Robinson