A COMPUTATIONAL WORKBENCH ENVIRONMENT FOR VIRTUAL POWER PLANT SIMULATION

This is the tenth Quarterly Technical Report for DOE Cooperative Agreement No: DE-FC26-00NT41047. The goal of the project is to develop and demonstrate a computational workbench for simulating the performance of Vision 21 Power Plant Systems. Within the last quarter, good progress has been made on all aspects of the project. Calculations for a full Vision 21 plant configuration have been performed for two gasifier types. An improved process model for simulating entrained flow gasifiers has been implemented into the workbench. Model development has focused on: a pre-processor module to compute global gasification parameters from standard fuel properties and intrinsic rate information; a membrane based water gas shift; and reactors to oxidize fuel cell exhaust gas. The data visualization capabilities of the workbench have been extended by implementing the VTK visualization software that supports advanced visualization methods, including inexpensive Virtual Reality techniques. The ease-of-use, functionality and plug-and-play features of the workbench were highlighted through demonstrations of the workbench at a DOE sponsored coal utilization conference. A white paper has been completed that contains recommendations on the use of component architectures, model interface protocols and software frameworks for developing a Vision 21 plant simulator.

[1]  Alan Williams,et al.  Modelling the formation and emission of environmentally unfriendly coal species in some gasification processes , 1997 .

[2]  Alan R. Kerstein,et al.  Chemical model of coal devolatilization using percolation lattice statistics , 1989 .

[3]  A. J. Lupa,et al.  Simulation of a Texaco gasifier. Volume 1. A steady-state model , 1979 .

[4]  Ashok S. Damle.  Recovery of Carbon Dioxide in Advanced Fossil Energy Conversion Processes Using a Membrane Reactor , 2001 .

[5]  Alan R. Kerstein,et al.  FLASHCHAIN theory for rapid coal devolatilization kinetics. 1. Formulation , 1991 .

[6]  Charles D. Hansen,et al.  Interactive Simulation and Visualization , 1999, Computer.

[7]  N. Holt,et al.  Integrated Gasification Combined-Cycle Power Plants , 2003 .

[8]  John Lucas,et al.  The effects of pressure on coal reactions during pulverised coal combustion and gasification , 2002 .

[9]  Eric Liese,et al.  Dynamic Modeling Results of a 1MW Molten Carbonate Fuel Cell/Gas Turbine Power System , 2002 .

[10]  JAMES BELL,et al.  Advances in Catalysis , 1953, Nature.

[11]  Masayuki Horio,et al.  Numerical simulation of entrained flow coal gasifiers. Part II: effects of operating conditions on gasifier performance , 2000 .

[12]  M. Heap,et al.  Reduced chemical kinetic mechanisms for hydrocarbon fuels , 1999 .

[13]  M. Syamlal,et al.  A numerical model of silane pyrolysis in a gas-solids fluidized bed , 1998 .

[14]  Jack B. Howard,et al.  Kinetics of carbon monoxide oxidation in postflame gases , 1973 .

[15]  G. J. Silvestri,et al.  Some Improved Steam Property Calculation Procedures , 1970 .

[16]  B. B. Krieger,et al.  Modelling and experimental verification of physical and chemical processes during pyrolysis of a large biomass particle , 1985 .

[17]  Lawrence J. Shadle,et al.  Coal Gasification in a Transport Reactor , 2001 .

[18]  L. Douglas Smoot,et al.  Coal Combustion and Gasification , 1985 .

[19]  C. Lund,et al.  Assessing High-Temperature Water−Gas Shift Membrane Reactors , 2003 .

[20]  R. Kandiyoti,et al.  The effect of variations in time-temperature history on product distribution from coal pyrolysis , 1989 .

[21]  Peter R. Solomon,et al.  General model of coal devolatilization , 1987 .

[22]  S. Turns.  An Introduction to Combustion: Concepts and Applications , 2000 .

[23]  Connie Senior,et al.  A COMPUTATIONAL WORKBENCH ENVIRONMENT FOR VIRTUAL POWER PLANT SIMULATION , 2004 .

[24]  J. Smith,et al.  Diffusion in catalyst pellets , 1962 .

[25]  A. Sarofim,et al.  Fundamental study of ash formation and deposition: Effect of reducing stoichiometry. Quarterly report No. 2, 1 July 1993--30 September 1993 , 1993 .

[26]  E. M. Bulewicz.  Combustion , 1964, Nature.

[27]  P. E. Sabla,et al.  Development of a Fuel Air Premixer for Aero-Derivative Dry Low Emissions Combustors , 1994 .

[28]  D. G. Roberts,et al.  Char Gasification with O2, CO2, and H2O: Effects of Pressure on Intrinsic Reaction Kinetics , 2000 .

[29]  Ruksana Moreea-Taha.  Modelling and simulation for coal gasification , 2000 .

[30]  C. Y. Wen,et al.  Entrainment Coal Gasification Modeling , 1979 .

[31]  M Bracht,et al.  Water gas shift membrane reactor for CO2 control in IGCC systems: techno-economic feasibility study , 1997 .

[32]  P. Arendt,et al.  Comparative investigations of coal pyrolysis under inert gas and H2 at low and high heating rates and pressures up to 10 MPa , 1981 .

[33]  S. T. Kolaczkoski.  Catalytic stationary gas turbine combustors: a review of the challenges faced to clear the next set of hurdles : Chemical Reaction Engineering , 1995 .

[34]  R. Hurt,et al.  Compilation of Sandia coal char combustion data and kinetic analyses. Milestone report , 1992 .

[35]  J. Dumesic,et al.  Microiunetic Analysis of the Selective Catalytic Reduction (SCR) of Nitric Oxide Over Vanadia/Titania-Based Catalysts , 1993 .

[36]  Peter R. Solomon,et al.  Coal pyrolysis: Experiments, kinetic rates and mechanisms , 1992 .

[37]  N. Sato,et al.  The water gas shift reaction assisted by a palladium membrane reactor , 1991 .

[38]  S. Ergun.  Kinetics of the Reaction of Carbon with Carbon Dioxide , 1956 .

[39]  Chen-Pang Chou,et al.  Numerical studies of methane catalytic combustion inside a monolith honeycomb reactor using multi-step surface reactions , 2000 .

[40]  Enrico Drioli,et al.  Effect of energy transport on a palladium-based membrane reactor for methane steam reforming process , 2001 .

[41]  R. Gemmen.  Oxidation of Low Calorific Value Gases-Applying Optimization Techniques to Combustor Design , 1999 .

[42]  I. W. Smith,et al.  The combustion rates of coal chars: A review , 1982 .

[43]  Masayuki Horio,et al.  On the scaling-up of a two-stage air blown entrained flow coal gasifier , 1999 .

[44]  V. L. Zimont,et al.  Total combustion kinetics of hydrocarbon fuels , 1969 .

[45]  S. Correa.  A Review of NOx Formation Under Gas-Turbine Combustion Conditions , 1993 .

[46]  S. Gangwal,et al.  A simple model for a water gas shift membrane reactor , 1994 .

[47]  R. H. Fowler.  The Mathematical Theory of Non-Uniform Gases , 1939, Nature.

[48]  P. J Benyon,et al.  Computational Modelling of Entrained Flow Slagging Gasifiers , 2002 .

[49]  Maurizia Seggiani,et al.  Modelling and simulation of time varying slag flow in a Prenflo entrained-flow gasifier , 1998 .

[50]  Yung-Tse Hung,et al.  Air Pollution Control Engineering , 2004 .

[51]  Robert H. Hurt,et al.  Mechanisms of extinction and near-extinction in pulverized solid fuel combustion , 2000 .

[52]  J. Lahaye,et al.  Fundamental issues in control of carbon gasification reactivity , 1991 .

[53]  Ulrich Renz,et al.  The IEA model for circulating fluidized bed combustion , 1995 .

[54]  Faryar Jabbari,et al.  Development of Dynamic Modeling Tools for Solid Oxide and Molten Carbonate Hybrid Fuel Cell Gas Turbine Systems , 2000 .

[55]  D. A. Frank-Kamenet︠s︡kiĭ.  Diffusion and heat transfer in chemical kinetics , 1969 .

[56]  Gary Leonard,et al.  Development of an Aeroderivative Gas Turbine Dry Low Emissions Combustion System , 1993 .

[57]  W. Peters,et al.  Product compositions and formation kinetics in rapid pyrolysis of pulverized coal—Implications for combustion , 1979 .

[58]  K. B. Lee,et al.  On the rate of combustion of soot in a laminar soot flame , 1962 .

[59]  K. Heek,et al.  Kinetic studies of steam gasification of char in the presence of H2, CO2 and CO , 1985 .

[60]  Tami C. Bond,et al.  Catalytic Combustion of Natural Gas Over Supported Platinum: Flow Reactor Experiments and Detailed Numerical Modeling , 1996 .

[61]  N. Holt,et al.  Coal Gasification Research , Development and Demonstration-Needs and Opportunities , 2001 .

[62]  Adel F. Sarofim,et al.  CFD Modeling For Entrained Flow Gasifiers , 2002 .

[63]  E. R. Tucci.  Use catalytic combustion for LHV gases , 1982 .

[64]  Stephen Niksa,et al.  Coal conversion submodels for design applications at elevated pressures. Part II. Char gasification , 2004 .

[65]  M. Syamlal,et al.  MFIX documentation theory guide , 1993 .

[66]  H. Hottel,et al.  Reaction kinetics of carbon dioxide with electrode carbon particles , 1988 .