ATTACHMENT 3 – STATEMENT OF PROJECT OBJECTIVES (Mod 003)
C.
TASKS TO BE PERFORMED (Phase 2)
Task 1.0 – Project Management
Subtask 1.1 – Project Management and Planning
The Recipient shall update and revise the Project Management Plan within 30 days after award
and manage project activities in accordance with the plan. The Project Management Plan will be
updated as necessary.
Subtask 1.2 – Briefings and Reports
The Recipient shall monitor and coordinate the technical and financial activities of the project
and will prepare and deliver reports and briefings as outlined in Sections D and E below.
Task 2.0 – Technology Transfer and Outreach
This task will focus on industry, academic and public outreach and education efforts, as well as
implementing the External Advisory Board (EAB) recommendations. Specifically, this task
includes:

Hosting EAB meetings to obtain continued feedback on the Recipient’s research,
technology transfer, and outreach efforts. The EAB shall meet formally on an annual
basis with other informal opportunities arranged throughout the year. The EAB shall
provide input on the selection of future ICSE-sponsored tasks/projects and, together with
DOE, provide annual review of ongoing tasks/projects.

Continuing the student research experiences. The Recipient shall work closely with their
NETL points of contact to offer select graduate and undergraduate research
opportunities at NETL.

Pursing industrial and public outreach opportunities to promote an improved
understanding of technical, practical, policy, economic, and social challenges associated
with utilization of domestic coal resources. These opportunities include hosting
technology transfer workshops for several research areas with participants from industry,
the EAB, the Department of Energy, other government agencies, and other interested
parties. Activities may also include visiting relevant industrial sites, publishing results in
trade journals, and hosting a public outreach meeting, as requested by the EAB.

Developing a repository of online materials that support this research. Materials
uploaded to the repository can include project-related technical reports; presentations by
ICSE faculty and students; presentations at ICSE-sponsored meetings; publications;
reports; relevant literature; data collections from a variety of combustion systems
including coal gasifiers, oxy-fuel systems, and coal pyrolysis experiments; and images.
1
Working with the ICSE librarian, the Recipient shall resolve any copyright issues prior to
the posting of materials. For materials where copyright prevents posting of the full
content, an abstract will be uploaded to the repository.
Task 3.0 – Power Generation “Retrofit”: Oxy-Coal
The ultimate objective of this task is to produce predictive capability with quantified uncertainty
bounds for pilot-scale, single-burner, oxy-coal operation. This validation research brings
together multi-scale experimental measurements and computer simulations. Particular attention
is focused on ignition and coal-flame stability under oxy-coal conditions. This predictive tool
forms the basis for application to full-scale, industrial burner operations. This thrust area will
include the following subtasks:
Subtask 3.1 – Oxy-Coal Combustion Large Eddy Simulations
The long-term objective of this research is a) to expand the Large Eddy Simulation (LES) code
ARCHES to quantitatively predict the performance and stability of oxy-coal burners for
retrofitting power boilers and industrial furnaces for CO2 capture, and b) to perform verification,
validation and uncertainty quantification of the numerical and modeling error associated with this
simulation tool.
The Recipient shall continue to expand the capability of ARCHES coupled with the DQMOM
models to quantitatively predict oxy-coal conditions. Validation studies will be performed using
data from the University of Utah axial burner obtained under Subtask 4.2 to quantify and
potentially reduce the uncertainty in the models. The Recipient shall analyze the data and
simulation results to identify mechanisms important to the operation of oxy-coal retrofit options.
Subtask 3.2 – Near-Field Aerodynamics of Oxy-Coal Flames with Directed Oxygen and
Minimum Flue Gas Recycle
The objectives of this subtask are to:

Conduct tests on the existing oxy-coal combustion configuration to determine
mechanisms by which replacement of N2 by CO2 influences flame stability.

Develop fundamental strategies for directed O2 injection with minimum CO2 recycle in
oxycoal flames and provide validation data for near-field aerodynamic simulations of the
well defined oxy-coal flames investigated under those conditions.

Commence preparation of oxy-fuel furnace for in-situ particle imaging velocimetry (PIV)
measurements (Subtask 3.3).
To meet the first objective, the Recipient shall conduct experiments that build on previous DOE
sponsored research. These experiments shall consist of investigation of the effects on flame
stability of the nature of the inert (N2 or CO2) in the primary transporting fluid, and also in the
secondary oxidant streams, where the composition of both streams shall be varied
independently. The purpose shall be to determine whether O2 diffusion through primary inert
(CO2 or N2) or through secondary oxidant stream inert (CO2 or N2) can explain differences in
flame stability when air firing is converted to oxy-coal firing.
2
To meet the second objective, the Recipient shall build on previous work on axial coal jets.
Specifically, the Recipient shall construct a configuration where the coal will be transported by
pure CO2. A pure oxygen injector shall be located at the axis, and the initial flow of oxygen shall
be injected axially into the center of the coal jet. This design is required to let the unburned coal
particles shield the walls from excessive heat fluxes. A secondary axial flow of CO2 and O2
shall surround the two interior jets, and shall be adjusted to allow for minimum CO2 entry into
the furnace, consistent with survival of the cooled furnace walls. The oxy-fuel combustor (OFC)
team shall work with the Simulations team (Subtask 3.1) and employ previously developed
methods that use photo-imaging techniques to yield measurements of flame stand-off distance,
flame length, and flame luminosity, together with uncertainty quantification.
To meet the third objective the OFC team shall work with the diagnostics team (Subtask 3.3)
and prepare a design that will allow application of in-situ PIV measurements in the OFC.
Subtask 3.3 – Advanced Diagnostics for Oxy-Coal Combustion
The Advanced Diagnostics Team will utilize an existing PIV capability for measurement of
planar velocity fields in turbulent oxy-coal flames. Initial data will be obtained in a simple benchtop pulverized coal burner to ensure that all necessary data and image processing techniques
have been appropriately adapted for oxycoal flames. The system will then be applied to the 100
KW oxyfuel combustor (OFC) for detailed velocity measurements in turbulent flames.
Modifications will be made to the 100 KW OFC to accommodate the traversing laser and CCD
camera. Multiple datasets will be obtained and detailed uncertainty analysis will be performed.
Subtask 3.4 – Oxy-Coal Combustion in Circulating Fluidized Beds
The recently modified oxy-fired pilot-scale circulating fluidized bed (CFB) will be used to study
operational impacts of variations in oxygen concentration, in-bed heat removal and external
heat removal (from the solids recycle stream). In addition, the formation of SO3 in the high CO2
and O2 environment of the CFB will be evaluated to develop an understanding of its potential for
sulfuric acid condensation and corrosion. A key emphasis will be on the development of a set of
validation data with corresponding uncertainty quantification for use in model validation. Close
interaction with the simulation team (Subtask 4.1) and the DOE/NETL MFIX model staff will
provide necessary input on the types of measurements and measurement locations that will
assist in the development and validation efforts of both modeling teams.
The overall objective of the experimental and simulation work will be to facilitate an
understanding of the process dynamics, and in particular, the impact of key process variables
on bed temperature, bed agglomeration, solids recycle rate, and sulfur capture.
Subtask 3.5 – Single-Particle Oxy-CO2 Combustion
This subtask will focus on both pulverized coal and fluidized bed systems, with the following two
objectives:

For pulverized coal systems, single-particle kinetics for oxy-CO2 combustion will be
developed from the literature in conjunction with a joint effort with Sandia National
Laboratories. For the latter, a University of Utah graduate student will take advantage of
existing combustion facilities and associated advanced diagnostics at the Sandia
National Laboratories. The student will also work closely with the simulation team
(Subtask 4.1) to identify specific submodel development needs.
3

For fluidized bed conditions, the impact of an O2/CO2 environment on carbon, nitrogen
and sulfur release from coal and coal char will continue to be explored in a bench-scale
single-particle fluidized-bed reactor. Measurements will focus on both rate determination
with detailed uncertainty quantification for use in model development, as well as the
identification of the influence on major operating variables such as oxygen concentration
and bed temperature on the release of nitrogen and sulfur impurities.
Subtask 3.6 – Ash Partitioning Mechanisms for Oxy-Coal Combustion with Varied Amounts of
Flue Gas Recycle
The objectives of this Subtask are to:

Determine mechanisms governing effects of varied amounts of flue gas recycle on ash
partitioning mechanisms.

Provide validation data, including uncertainty quantification for sub-models predicting
size segregated ash particle composition as functions of surrounding environments
representative of oxy-coal flames with flue gas recycle amounts ranging from 30% to
0%.
To meet these objectives, the Recipient shall focus on:

Determining how amount of recycled flue gas affects ash partitioning mechanisms, in the
existing oxy-fuel furnace involving self-sustained combustion and coal flows of ~ 10kg/h.

Determine fundamental mechanisms using simulated flue gases in an existing drop tube,
involving micro-flows (~1-4 g/h) of coal particles.
For the OFC tests, the existing oxygen and CO2 supply provided by Praxair and the modified
furnace top section to allow cooling rather than heating shall be used. The Recipient shall
withdraw exhaust gas samples under conditions of varying amounts of flue gas recycle.
Exhaust samples will allow particle size distributions to be determined using, using low pressure
impactors, (a new) aerosol particle sizer (for particles 0.6μm – 20μm), and (an existing)
scanning mobility particle sizer (for particles 0.01μm – 0.6μm). The low-pressure impactors
shall also yield size-segregated composition data.
The Recipient shall also conduct well-defined drop-tube studies in which temperature, and local
surrounding gas compositions are systematically varied to allow a wide range of ash formation
environments. Total exhaust particulate samples shall be size segregated, using low pressure
impactors, and the evolution of the ultra-fine ash particle size distribution will be determined,
using scanning (electron) mobility particle sizing techniques and a new aerosol particle sizer for
the larger particle sizes. More sophisticated ash analyses will be conducted as warranted.
These tests shall involve simulated flue gases, with the objective to determine how independent
control of gas composition, O2 content and wall temperature affects the composition and particle
size distribution of the ash. These data shall form the basis of sub-models, which shall be tested
in the larger scale OFC experiments.
The Recipient shall employ methods of error quantification, as appropriate.
4
Task 4.0 - Power Generation “Retrofit”: Gasification
The ultimate objective of this thrust area is to provide a simulation tool for industrial entrained
flow IGCC gasifiers that will predict: heat transfer by radiation and convection, coal conversion,
soot formation, synthesis gas composition and slag behavior with quantified uncertainty.
This thrust area will include the following subtasks:
Subtask 4.1 – Entrained-Flow Gasifier Simulation and Modeling
For this phase of the project, the focus of this subtask is to perform an initial verification,
validation, and uncertainty quantification study. It will be the first study of this type for a
laboratory gasifier, which will combine experimentally obtained data with simulation data to
produce a computational result with some initial error prediction. The computational tool will be
the LES model developed at the University of Utah for gasifier simulation funded under previous
work. Data from a small-scale gasifier operated at Brigham Young University in the 1980s will
be utilized as validation data for the LES model. Specifically, this task will involve 1) a critical
review of the mentioned data 2) an assessment of the data including identifying sources of
uncertainty from the experimental observations 3) an initial parametric study to determine active
or sensitive variables and 4) a limited number of simulations for validation/uncertainty
quantification.
Subtask 4.2 – Subgrid Mixing and Reaction Modeling
This task will formulate and produce models for use in ARCHES that account for subgrid mixing
and reaction effects for gas phase chemistry coupled to coal particles. Immediate focus will be
on creating a robust interface in ARCHES that will allow various models to be employed.
Simultaneously, we will focus on using one-dimensional turbulence (ODT) with reacting particles
to perform high-fidelity, one-dimensional simulations under gasification conditions. Such
simulations will be used to guide model development by identifying key physical processes and
controlling parameters for particle-fluid interaction. Principal component analysis (PCA) will be
explored as a possible methodology to identify key parameters for reduced models. As
additional information becomes available regarding the coal particle off-gas composition, char
formation and oxidation, and models for soot formation kinetics, this will be incorporated into the
particle models to include multicomponent diffusion and reaction effects.
Subtask 4.3 – Radiation Modeling
The long-term objective of this research is a) to expand the radiative heat transfer algorithms in
the University of Utah LES codes to include coal particles under entrained coal gasification
conditions, and b) to implement reverse Monte Carlo ray tracing (RMCRT) for radiative heat
transfer in LES for high pressure pulverized coal gasification. Heat transfer in entrained flow
gasifiers is dominated by radiative heat transfer. Current methods for computing radiative heat
transfer in LES codes (including the University of Utah LES code - ARCHES) depend heavily on
discrete ordinates methods (DOM) for radiative transfer computations. DOM computations are
currently consuming more than half of the computational time for a pulverized-coal combustion
simulation. RMCRT can improve radiation computations by taking advantage of massive parallel
computing for decreasing computational time and increasing computational accuracy.
5
Over the course of this project the Recipient shall expand the DOM model in ARCHES to
include coal particles under entrained flow gasification conditions. Validation studies will be
performed to quantify and potentially reduce the uncertainty in the particle radiation models and
properties. The Recipient will continue to develop the RMCRT model for improving parallel
efficiencies and computational accuracy.
Subtask 4.4 – Char and Soot Kinetics and Mechanisms
Pyrolysis experiments in the pressurized flat-flame burner (PFFB) will continue for an additional
coal. A first-generation pressure-dependent particle swelling model for high heating rates will
be developed based on data from the PFFB. High temperature CO2-char gasification
experiments in the PFFB will be coupled with CO2 reactivity experiments in the pressurized
thermogravametric analyzer (TGA). A first-generation gasification kinetic model will be
developed based on these and literature data, using published models as a guide. Steam-char
capability will be added to the pressurized TGA.
The Recipient shall continue to examine tar surrogates that incorporate features of tar
molecules (e.g. oxygen compounds, higher molecular weights). Coal tars will be produced at
similar conditions for comparison with the surrogate studies. Soot yields and product gases from
these model compounds and tars produced from coal pyrolysis will be determined. Tar and
surrogate samples produced in the PFFB will be analyzed by nuclear magnetic resonance
(NMR). The Recipient will also coordinate the acquisition of high-resolution gas
chromatography/mass spectroscopy (GC/MS) provided at no cost through an existing
collaboration with Argonne National Laboratory. Soot yields from the higher temperature coal
pyrolysis and gasification experiments will be analyzed. A first-generation global soot formation
model will be developed based on these data and a previously-developed soot model for
atmospheric pulverized coal combustion.
Subtask 4.5 – Slag Formation and Slag-Wall Interactions
The Recipient shall develop models to describe particle size, surface area and carbon content
during late stages of particle conversion when the coal transitions from porous, reactive char to
a low-porosity molten form. These models will be designed to be incorporated into the LES
moment method model terms (Subtask 4.1). The Recipient shall organize a workshop involving
researchers from NETL which focuses on gasifier refractory performance, slag-wall interactions
and mechanisms of refractory degradation. The workshop will be held in Utah and will be open
to all interested participants.
Subtask 4.6 – Acquisition of Validation Data in an Entrained-Flow Gasifier
The Recipient shall acquire a first set of data from the 1 ton/day gasifier during oxygen-blown
gasification of coal slurry. Specifically, the Recipient shall thoroughly characterize product gas
composition as a function of oxygen/fuel ratio and total pressure for coal. Flow rates and
compositions of input streams (coal slurry, oxygen and quench water) as well as syngas flow
rate and composition will be measured. The Recipient shall also measure the reactor wall
temperature at two locations. Particular attention will be paid to quantifying variability and
repeatability of the measured data so as to allow assessment and quantification of uncertainty.
Successful completion of this task will require design and construction a new coal slurry
preparation and transport system sized to match the maximum capacity of the gasifier.
6
Task 5.0 – Chemical Looping Combustion Reactions and Systems
The ultimate objectives of this task are to develop a new low-cost carbon-capture technology for
coal through chemical-looping combustion (CLC) and to transfer this technology to industry
through a numerical simulation tool with quantified uncertainty bounds. The specific research
targets for these tasks are to quantitatively identify reaction mechanisms and rates, explore
operating options with a laboratory-scale bubbling bed reactor, identify process modeling
economics and demonstrate and validate LES-DQMOM simulation capabilities for a pilot-scale
fluidized bed. The CLC task will focus on two classes of oxygen carrier, one that merely
undergoes a change in oxidation state, such as Fe3O4/Fe2O3 and one that is converted from its
higher to its lower oxidation state by the release of oxygen on heating, i.e., CuO/Cu2O. This
thrust area will include the following subtasks:
Subtask 5.1 – Process Modeling and Economics
Simplified process models of the chemical looping combustion process will be developed. The
models will involve, not only simple material and energy balances, but also utilizing the Aspen®
process modeling suite. In this case, some individual process units will be modeled using the
custom user interface. This interface allows other programs, such as Excel® or Fortran to
interface with Aspen. The process models will allow us to estimate how a full-scale chemical
looping system will perform and will help guide the research by identifying information gaps.
Where possible, the model will help ascertain the key operational and reactor volume
differences between the different metals under consideration (copper versus iron). The
Recipient shall begin to use Aspen’s built-in economics package to estimate capital and
operating costs for a chemical looping system. Some elements will require direct interactions
with vendors. The Recipient shall also develop preliminary raw material, energy, and utility
needs for the different scenarios.
Subtask 5.2 – LES-DQMOM simulation of a pilot-scale fluidized bed
The long-term objective of this research is a) to expand the LES code to dense particle regimes
applicable to fluidized beds using the DQMOM, and b) to perform verification, validation and
uncertainty quantification of the numerical and modeling error associated with this simulation
tool. This extension of ARCHES to fluidized bed conditions will form the basis for a simulation
tool for CLC.
The Recipient shall expand the DQMom models in ARCHES to include CLC particles under
non-reacting conditions. Validation studies will be performed using data from NETL’s cold flow
CLC fluidized bed to quantify and potentially reduce the uncertainty in the fluidized bed models.
The Recipient will continue to develop the model for improving parallel efficiencies and
computational accuracy.
Subtask 5.3 – Laboratory-Scale CLC Studies
The CLC Team will use the laboratory-scale, bubbling fluidized bed reactor developed in Phase
I to study performance of oxygen carriers in an environment having characteristics similar to
those of a full-scale fluidized bed-based system. The lab-scale system is equipped with an
analyzer to track O2, CO, CO2 and CH4 in real time, which allows us to identify kinetics of carrier
oxidation (when fluidizing with gas containing different partial pressures of oxygen) and
oxidation of fuel by the carrier (when feed to the reactor is switched to gas containing e.g.,
methane). For Phase II of this program, the Recipient shall assess the performance of the two
7
carriers. Specifically, the CLC Team will measure carrier capacity and rates of oxidation and
combustion as the system is cycled between oxidizing conditions (representative of the air
reactor in a CLC system) and fuel combustion conditions (representing the fuel reactor). This
will allow identification of the activation energy and development of simple reaction kinetic
expressions. In addition, for the copper carrier we will study the extent and rates of oxygen
release (uncoupling) in a nitrogen environment and compare these to the fundamental
information being obtained through thermogravimetric studies in Subtask 5.4.
Subtask 5.4 – CLC Kinetics
The CLC Team will use TGA experiments to elucidate the chemical kinetics of the copper
metal/copper oxides CLC oxygen carrier system. Initially, a single gas, either oxygen or
hydrogen, will be used one at a time. Experiments with gas mixtures that simulate fuels such as
syngas or methane will follow. To extract activation energies, many atmospheric pressure TGA
runs from moderate temperatures (600°C) to high temperatures (950°C) at different heating
rates will be required. The high-pressure capability of the TGA will permit a determination of
how much the rate of metal oxidation step is accelerated by high pressures at elevated
temperatures.
Task 6.0 – In-Situ Fuel Production: SNG from Deep Coal
The long term (multi-year) objective of this task is to develop a transformational energy
production technology by in-situ thermal treatment of a coal seam for the production of
substitute natural gas (SNG) while leaving much of the coal’s carbon in the ground. This
process converts coal to a high-efficiency, low-GHG emitting gas fuel. It holds the potential of
providing environmentally acceptable access to previously unusable coal resources. By
increasing the abundance of SNG from coal, the proposed technology has the potential for
significantly lowering natural gas prices relative to other energy sources, providing the economic
driver for displacing imported energy sources. The Recipient shall develop process models and
simulation tools, obtain process thermo-chemical and geo-thermal parameters, develops
thermal treatment technology, performs bench-scale tests and eventually pilot-scale tests in
preparation for a demonstration in a coal seam.
Subtask 6.1 – Bench-Scale RF Thermal Treatment
The objective of this task is to perform a bench-scale analysis of the process with a) radio RF
heating and/or b) induction heating of the coal sample. The Recipient shall collect coal samples
and determine the coal’s properties required for design and operation of the pyrolysis
experiment. The Recipient shall establish the target process temperature and energy required
to affect the pyrolysis. Initial pyrolysis experiments will be performed in a TGA system, with
temperatures ranging from 300K to 1500K and pressures ranging from atmospheric to 1000
psia. These experiments will be carried out both isothermally and with heating rates
representative of a field setting to help construct weight-loss kinetics for the process. For
selected conditions, the pyrolysis products will be collected using a condenser setup for
subsequent identification of product species.
In addition, a bench-scale reactor based on either RF or induction heating will be designed and
constructed to facilitate evaluation of both the heating methodology (in the case of RF) and the
pyrolysis products as a function of operating conditions. The bench-scale tests will consist of
8
heating a coal sample (anticipate approximately 1 kg) in a sealed reactor instrumented with
thermocouples and pressure transducers. The products from the sample will be collected in
condensers and analyzed. Selected analysis with gas chromatography and mass spectrometry
will provide further details regarding the composition.
The Recipient shall use these pyrolysis experiments at the bench scale to define model
mechanisms and parameters and together the experiments and modeling will identify the
conditions for maximizing the SNG yield. The bench-scale experiments will provide validation
data for the RF energy production, for material and energy balances, and for further design.
Subtask 6.2 – In-Well Heater Design Alternatives
The objective of this task is to identify and evaluate design alternatives for thermal treatment
options for in-situ coal applications. The Recipient shall identify thermal treatment methods for
in-situ heating of deep coal seams for the production of substitute natural gas by a) in-well
combustion of SNG, b) RF heating, c) steam injection and d) other alternatives. Different
methods of heat delivery and production of SNG will be studied. The analysis will be performed
using engineering calculations and numerical simulation tools available to the investigators.
Design alternatives will be compared and trade-offs identified. The Recipient shall identify
criteria pollutant emissions, GHG output, water consumption and land-use impact for each
design alternative. Optimization of heating alternatives for maximizing SNG yield and
minimizing environmental impacts will be reported.
Subtask 6.3 – LES in Reacting Porous Media
The objective of this task is to extend the massively parallel computational LES capabilities to
include in situ reacting porous media. The Recipient shall extend the ARCHES formulation to
include porous media flow for in-situ processing of deep coal seams for the production of
substitute natural gas by a) including void fraction cfd formulations applicable to the in-situ
thermal treatment of coal, b) extending the pressure project algorithm used in the LES
formulation to be applicable to porous media flow for in-situ coal processing, c) identifying
experimental data suitable for validation and uncertainty quantification and d) performing an
appropriate verification and validation of the porous media algorithm.
Subtask 6.4 – CO2 Sequestration Chemistry
The Recipient shall continue to study the impact of different gas compositions on reactivity of
carbon dioxide with different minerals under sequestration conditions. In-situ thermal treatment
will yield a variety of products, some of which will not be fully separated from carbon dioxide at
the time of injection. The experimental study will focus on sequestration in saline formations,
followed by the development of models – thermodynamic, kinetic and reactive-transport
reservoir models. Sequestration of waste gases in depleted coal seams will also be considered
in the project, first from a modeling point of view, followed by design of multiphase adsorption
experiments.
Task 7.0 – Mercury Control
The Mercury Team will explore various options for controlling mercury emissions for oxy-coal
combustion and for IGCC units. Mercury capture at high temperatures (> 1000°C) in
gasification units is problematic because carbon-based adsorbents are ineffective at high
temperatures and can be gasified, and mineral-based adsorbents appear to be ineffective under
9
high temperature, reducing conditions. Mercuric sulfide sublimes at 600°C and 1 atm. It is
possible that mercuric sulfide is stable at the high pressures (40 atm) found in gasification
processes. No other known mercury compounds are stable at the elevated temperatures and
reducing conditions found in gasification units.
The effect of high CO2 concentrations on the kinetics of homogeneous and heterogeneous
oxidation of mercury by halogens will be explored in two studies:

CHEMKIN, a commercially available software tool for solving complex chemical kinetics
problems, will be used to study homogeneous oxidation kinetics.

Bench-scale laboratory experiments with mercury and chlorine are planned in which air
is replaced with a mixture of 27% O2 and 73% CO2. Limited tests are planned to study
the effects of SO2 and NOx on mercury oxidation under standard and oxy-fuel conditions.
A 47-mm ID homogeneous reactor that will be used. The peak gas temperature in the
electrically heated zone is about 1080C and the quench rate is -440 K/s.
The Mercury Team will perform simulations of homogeneous oxidation kinetics at temperatures
ranging from 250-1000C and quench rates of 200-450C/s. The heterogeneous calculations
will be performed at 125C. Both calculations will assume a composition of 90% CO2, 10 g/m3
Hg, 100 ppm chlorine, and 10 ppm NO2. This task will build upon the models developed under
the Utah Clean Coal Program.
Task 8.0 – Strategies for Coal Utilization in the National Energy Portfolio
Coal-fired power plants increasingly face opposition both from litigation and from regulatory
uncertainty. At the same time, coal is certain to be a paramount resource, even in a carbonconstrained world, as the nation’s population and power demands continue to expand. Thus, a
critical question is the legal and socio-economic position that coal will assume as we move
toward climate regulation. This task will address that question by analyzing coal in the context
of current and potential climate regulatory regimes.
This task will focus on two core objectives. First, it will build upon research and analysis
completed in an earlier phase of this project and complete a regulatory gap assessment
detailing the legal obstacles that stand in the way of carbon capture and sequestration (CCS)
technology deployment. Specifically, the assessment will analyze pending and existing
legislation and regulations and will survey industry players to determine areas in which energy
and environmental regulation—or the lack of that regulation—impedes increased CCS use.
Central topics include both short- and long-term liability for stored carbon, treatment of CCS in
climate change legislation, property rights implications, inter-agency cooperation, and interface
with existing environmental laws such as the Clean Air Act, the Safe Drinking Water Act, and
Superfund.
Second, the task will build on the gap assessment by examining how CCS regulation may either
hinder or propel the retrofitting of existing coal-fired generators, as opposed to construction of
new CCS-capable power plants. Additional research and analysis relevant to this topic will
include cost recovery treatment before state public service commissions, transmission impacts,
and legislative treatment of the retrofitting question.
This task aims to draw an initial legal and policy roadmap that may be used as extant and new
10
coal plants move into an increasingly carbon-constrained world. Without an understanding of
how emerging legislation is likely to address coal-fired generation and of the uncertainties that
industry perceives in these new regulatory regimes, industry, policymakers, and the public alike
lack the necessary information to make informed judgments to allow for rational, efficient
planning of the next generation of power plants. This task will provide an initial assessment
from the perspective of coal and CCS technology. Completion of the task should help identify
specific regulatory gaps that demand more detailed and in-depth analysis going forward.
D.
DELIVERABLES (Phase 2)
The Recipient shall provide reports in accordance with the enclosed Federal Assistance
Reporting Checklist and the instructions accompanying the Checklist. The following Topical
Reports are due at the completion of each of the listed Tasks.

Topical Reports
- Task 3.0 (to also include pertinent information from research initiated in Phase 1
Tasks 4.0, 5.0, and 6.0)
- Task 4.0 (to also include pertinent information from research initiated in Phase 1
Tasks 8.0, 9.0, 10.0, 11.0, and 12.0)
- Task 5.0 (to also include pertinent information from research initiated in Phase 1
Tasks 13.0, 14.0, and 15.0)
- Task 6.0
- Task 7.0 (to also include pertinent information from research initiated in Phase 1
Task 7.0)
- Task 8.0 (to also include pertinent information from research initiated in Phase 1
Task 23.0)
Topical reports are to be submitted electronically in pdf format directly to our Document Control
Office at FITS@NETL.DOE.GOV following the format and instructions provided in Attachment 4
– Federal Assistance Reporting Checklist.
In addition to the reports identified on the Reporting Checklist, the Recipient shall provide the
following deliverables directly to the NETL Project Officer by e-mail or other mutually agreed
upon method:






Project Management Plan
An LES tool for the combustion of coal in an oxy-fuel combustor in the near-burner
region with simplified burner geometry, i.e., coaxial jets. It will include two-phase
reactions and radiation as well as a full particle size distribution in the LES, which will
employ the method of moments technique with the direct quadrature method of closure.
A preliminary set of validation data for the oxy-fuel combustor, including inlet and outlet
temperatures, flame length and stand-off distance, and ash partitioning.
Qualitative comparison of the results from the LES tool and from the validation data.
A prototype LES tool for entrained-flow gasifier simulation including coal devolitilization
and char oxidation reactions.
Collection of preliminary validation data for an entrained-flow gasifier, such as product
gas composition and reactor wall temperatures.
11

E.
At a minimum - two papers related to the clean coal utilization for power generation
“retrofit” research; one paper related to the secure fuel production by in-situ SNG
production from deep coal seams research; and one paper related to the environmental,
legal, and policy issues analysis. The papers will be prepared for publication in trade
journals, peer-review journals, peer-reviewed conference proceedings, or law journals.
BRIEFINGS (Phase 2)
The Recipient shall prepare detailed briefings for presentation to the Project Officer at the
Project Officer’s facility located in Pittsburgh, PA or Morgantown, WV. Briefings shall be given
by the Recipient to explain the plans, progress, and results of the technical effort on an annual
basis. DOE may substitute attendance of meetings at NETL with Recipient participation in
external project/merit reviews. The Recipient shall provide and present a technical paper(s) at
the DOE/NETL Annual Contractor's Review Meeting, as necessary, held at the NETL facility
located in Pittsburgh, PA or Morgantown, WV, or at an alternate location mutually agreed upon
by the NETL Project Officer and the Recipient.
12