TY - GEN
T1 - Development of advanced gasification kinetics models for CFD (and process simulation) codes
AU - Chaudhari, Kiran
AU - Turton, Richard
AU - Guenther, Chris
AU - Shahnam, Mehrdad
AU - Gel, Aytekin
AU - Nicolleti, Philip
AU - Li, Tingwen
PY - 2011/12/1
Y1 - 2011/12/1
N2 - The aim of this research is to develop detailed kinetic expressions for the gasification of a wide variety of coals and biomass that can be implemented in existing Computational Fluid Dynamics (CFD) codes such as Multiphase Flow with Interphase Exchanges (MFIX) developed at NETL, ANSYS-Fluent by ANSYS Inc. and Barracuda by CPFD Software. These expressions describe the fundamental steps taking place in the gasification of coal and/or biomass, namely, devolatilization, tar-gas chemistry, soot formation, followed by the heterogeneous and homogeneous gasification and combustion reactions. For example, the implementation of gasification kinetics in MFIX is currently achieved through a set of subroutines making up the Carbonaceous Chemistry for Computational Modeling (C3M) software. However, currently C3M has default gasification kinetics for only a few coals under a very narrow range of operating conditions. For this purpose, the kinetic data generated through a number of detailed models such as PC Coal Lab (PCCL), Chemical Percolation Model for Coal Devolatilization (CPD), Solomon's Functional-Group, Depolymerization, Vaporization, Cross-linking model, or experimental data currently being generated at NETL will all be made available through C3M, provided the user has the necessary model licenses. This project focuses on the development of a seamless integration between PC Coal Lab, CPD and Solomon's model through C3M to leading multiphase CFD solvers. The C3M graphical user interface (GUI) is designed to allow users to exercise the various kinetic models to evaluate graphically the effect different fuels and/or gasifier operating conditions have on gasification kinetics. Users can evaluate rates and yields of different kinetic models through the GUI or compare these predictions to their own in-house experimental information. The C3M GUI allows multiphase CFD users to make an informed decision on the set of kinetics to use in gasifier simulations. Furthermore, the C3M GUI will allow the multiphase CFD user to select kinetic information from a particular kinetic model and have that information properly formatted and seamlessly integrated into the CFD input files ready for immediate use. In this study, the development, status, and future development of C3M will be discussed along with current gasifier applications leveraging the C3M software.
AB - The aim of this research is to develop detailed kinetic expressions for the gasification of a wide variety of coals and biomass that can be implemented in existing Computational Fluid Dynamics (CFD) codes such as Multiphase Flow with Interphase Exchanges (MFIX) developed at NETL, ANSYS-Fluent by ANSYS Inc. and Barracuda by CPFD Software. These expressions describe the fundamental steps taking place in the gasification of coal and/or biomass, namely, devolatilization, tar-gas chemistry, soot formation, followed by the heterogeneous and homogeneous gasification and combustion reactions. For example, the implementation of gasification kinetics in MFIX is currently achieved through a set of subroutines making up the Carbonaceous Chemistry for Computational Modeling (C3M) software. However, currently C3M has default gasification kinetics for only a few coals under a very narrow range of operating conditions. For this purpose, the kinetic data generated through a number of detailed models such as PC Coal Lab (PCCL), Chemical Percolation Model for Coal Devolatilization (CPD), Solomon's Functional-Group, Depolymerization, Vaporization, Cross-linking model, or experimental data currently being generated at NETL will all be made available through C3M, provided the user has the necessary model licenses. This project focuses on the development of a seamless integration between PC Coal Lab, CPD and Solomon's model through C3M to leading multiphase CFD solvers. The C3M graphical user interface (GUI) is designed to allow users to exercise the various kinetic models to evaluate graphically the effect different fuels and/or gasifier operating conditions have on gasification kinetics. Users can evaluate rates and yields of different kinetic models through the GUI or compare these predictions to their own in-house experimental information. The C3M GUI allows multiphase CFD users to make an informed decision on the set of kinetics to use in gasifier simulations. Furthermore, the C3M GUI will allow the multiphase CFD user to select kinetic information from a particular kinetic model and have that information properly formatted and seamlessly integrated into the CFD input files ready for immediate use. In this study, the development, status, and future development of C3M will be discussed along with current gasifier applications leveraging the C3M software.
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M3 - Conference contribution
AN - SCOPUS:84877586924
SN - 9781618393982
T3 - 28th Annual International Pittsburgh Coal Conference 2011, PCC 2011
SP - 1606
EP - 1616
BT - 28th Annual International Pittsburgh Coal Conference 2011, PCC 2011
T2 - 28th Annual International Pittsburgh Coal Conference 2011, PCC 2011
Y2 - 12 September 2011 through 15 September 2011
ER -