Charpenay, S
1993
User's Manual for 93-PCGC-2:Pulverized Coal Gasification and Combustion Model (2-Dimensional) with Generalized Coal Reactions Submodel FG-DVC
Brewster, B.S.; Boardman, R.D.; Huque, Z.; Berrondo, S.K.; Eaton, A.M.; Smoot, L.D.; Zhao, Y.; Solomon, P.R.; Hamblen, D.G.; Serio, M.A.; Charpenay, S.; Best, P.E. and Yu, Z.-Z.
US Department of Energy/Morgantown Energy Technology Center/Advanced Fuel Research/Brigham Young University Final Contract Report, Vol. II, 1993. Funded by US Department of Energy and Morgantown Energy Technology Center.
A two-dimensional, steady-state model for describing a variety of reactive and non-reactive flows, including pulverized coal combustion and gasification, is presented. Recent code revisions and additions are described. The model, referred to as 93-PCGC-2, is applicable to cylindrical, axi-symmetric systems. Turbulence is accounted for in both the fluid mechanics equations and the combustion scheme. Radiation from gases, walls, and particles is taken into account using a discrete ordinates method. The particle phase is modeled in a Lagrangian framework, such that mean paths of particle groups are followed. A new coal-general devolatilization submodel (FG-DVC) with coal swelling and char reactivity submodels has been added. The heterogeneous reaction scheme allows for both diffusion and chemical reaction. Major gas-phase reactions are modeled assuming local instantaneous equilibrium, and thus the reaction rates are limited by the turbulent rate of mixing. A thermal and fuel NOx finite rate chemistry submodel is included which integrates chemical kinetics and the statistics of the turbulence. A sorbent injection submodel with sulfur capture is included. The gas phase is described by elliptic partial differential equations that are solved by an iterative line-by-line technique. Under-relaxation is used to achieve numerical stability. Both combustion and gasification environments are permissible. User information and theory are presented, along with sample problems.
1991
Network Changes During Coal Pyrolysis: Experiment and Theory
Solomon, P.R.; Charpenay, S.; Yu, Z.-Z.; Serio, M.A.; Kroo, E.; Solum, M.S. and Pugmire, R.J.
8th Annual International Pittsburgh Coal Conference, Pittsburgh, PA, October 1991. Funded by US Department of Energy and ACERC.
Coal pyrolysis is a complicated combination of chemical and physical processes in which coal is transformed at elevated temperatures to produce gases, tar, and char. These processes are described in the Functional Group - Depolymerization, Vaporization, and Crosslinking (FG-DVC) model of coal pyrolysis. An important aspect of this model is that crosslinking is rank dependent. This is based on solvent swelling experiments on chars made from coals of different rank. Low rank coals start to loose their solvent swelling ability prior to significant depolymerization at temperatures as low as 200ºC. Including such crosslinking in the FG-DVC model leads to predictions for low rank coals of a highly crosslinked network (exhibited by low solubility and low fluidity in chars) and low tar amounts.
While the model is in good agreement with a variety of data, it is difficult to find experiments to validate the predicted behavior of the network. In this paper we have used CP-MAS, NMR with dipolar dephasing and other techniques to examine the chars changing functional group and network characteristics. The changes in the char composition have been modeled using the FG-DVC model and the results compared with the data for Pittsburgh Seam bituminous coal and Zap lignite.
Charpenay, S
1993
User's Manual for 93-PCGC-2:Pulverized Coal Gasification and Combustion Model (2-Dimensional) with Generalized Coal Reactions Submodel FG-DVC
Brewster, B.S.; Boardman, R.D.; Huque, Z.; Berrondo, S.K.; Eaton, A.M.; Smoot, L.D.; Zhao, Y.; Solomon, P.R.; Hamblen, D.G.; Serio, M.A.; Charpenay, S.; Best, P.E. and Yu, Z.-Z.
US Department of Energy/Morgantown Energy Technology Center/Advanced Fuel Research/Brigham Young University Final Contract Report, Vol. II, 1993. Funded by US Department of Energy and Morgantown Energy Technology Center.
A two-dimensional, steady-state model for describing a variety of reactive and non-reactive flows, including pulverized coal combustion and gasification, is presented. Recent code revisions and additions are described. The model, referred to as 93-PCGC-2, is applicable to cylindrical, axi-symmetric systems. Turbulence is accounted for in both the fluid mechanics equations and the combustion scheme. Radiation from gases, walls, and particles is taken into account using a discrete ordinates method. The particle phase is modeled in a Lagrangian framework, such that mean paths of particle groups are followed. A new coal-general devolatilization submodel (FG-DVC) with coal swelling and char reactivity submodels has been added. The heterogeneous reaction scheme allows for both diffusion and chemical reaction. Major gas-phase reactions are modeled assuming local instantaneous equilibrium, and thus the reaction rates are limited by the turbulent rate of mixing. A thermal and fuel NOx finite rate chemistry submodel is included which integrates chemical kinetics and the statistics of the turbulence. A sorbent injection submodel with sulfur capture is included. The gas phase is described by elliptic partial differential equations that are solved by an iterative line-by-line technique. Under-relaxation is used to achieve numerical stability. Both combustion and gasification environments are permissible. User information and theory are presented, along with sample problems.
1991
Network Changes During Coal Pyrolysis: Experiment and Theory
Solomon, P.R.; Charpenay, S.; Yu, Z.-Z.; Serio, M.A.; Kroo, E.; Solum, M.S. and Pugmire, R.J.
8th Annual International Pittsburgh Coal Conference, Pittsburgh, PA, October 1991. Funded by US Department of Energy and ACERC.
Coal pyrolysis is a complicated combination of chemical and physical processes in which coal is transformed at elevated temperatures to produce gases, tar, and char. These processes are described in the Functional Group - Depolymerization, Vaporization, and Crosslinking (FG-DVC) model of coal pyrolysis. An important aspect of this model is that crosslinking is rank dependent. This is based on solvent swelling experiments on chars made from coals of different rank. Low rank coals start to loose their solvent swelling ability prior to significant depolymerization at temperatures as low as 200ºC. Including such crosslinking in the FG-DVC model leads to predictions for low rank coals of a highly crosslinked network (exhibited by low solubility and low fluidity in chars) and low tar amounts.
While the model is in good agreement with a variety of data, it is difficult to find experiments to validate the predicted behavior of the network. In this paper we have used CP-MAS, NMR with dipolar dephasing and other techniques to examine the chars changing functional group and network characteristics. The changes in the char composition have been modeled using the FG-DVC model and the results compared with the data for Pittsburgh Seam bituminous coal and Zap lignite.