In this study a mathematical model of a small scale single pellet for the oxidative coupling of methane（OCM）over titanite pervoskite is developed.The method is based on a computational fluid dynamics（CFD）code whic...In this study a mathematical model of a small scale single pellet for the oxidative coupling of methane（OCM）over titanite pervoskite is developed.The method is based on a computational fluid dynamics（CFD）code which known as Fluent may be adopted to model the reactions that take place inside the porous catalyst pellet.The steady state single pellet model is coupled with a kinetic model and the intra-pellet concentration profiles of species are provided.Subsequent to achieving this goal,a nonlinear reaction network consisting of nine catalytic reactions and one gas phase reaction as an external program is successfully implemented to CFD-code as a reaction term in solving the equations.This study is based on the experimental design which is conducted in a differential reactor with a Sn/BaTiO3 catalyst（7-8 mesh） at atmospheric pressure,GHSV of 12000 h-1,ratio of methane to oxygen of 2,and three different temperatures of 1023,1048 and 1073 K.The modeling results such as selectivity and conversion at the pellet exit are in good agreement with the experimental data.Therefore,it is suggested that to achieve high yield in OCM process the modeling of the single pellet should be considered as the heart of catalytic fixed bed reactor.展开更多
The combustion processes of homogeneous charge compression ignition （HCCI） engines whose piston surfaces have been coated with catalyst （rhodium or platinum） were numerically investigated. A singlezone model and a...The combustion processes of homogeneous charge compression ignition （HCCI） engines whose piston surfaces have been coated with catalyst （rhodium or platinum） were numerically investigated. A singlezone model and a multi-zone model were developed. The effects of catalytic combustion on the ignition timing of the HCCI engine were analyzed through the single-zone model. The results showed that the ignition timing of the HCCI engine was advanced by the catalysis. The effects of catalytic combustion on HC, CO and NOx emissions of the HCCI engine were analyzed through the multi-zone model. The results showed that the emissions of HC and CO （using platinum （Pt） as catalyst） were decreased, while the emissions of NOx were elevated by catalytic combustion. Compared with catalyst Pt, the HC emissions were lower with catalyst rhodium （Rh） on the piston surface, but the emissions of NOx and CO were higher.展开更多
Based on a general classification and characteristic comparison of the existing models, a new model for non-catalytic gas-solid reactions is proposed and a general formulation for the model in terms of the solid conve...Based on a general classification and characteristic comparison of the existing models, a new model for non-catalytic gas-solid reactions is proposed and a general formulation for the model in terms of the solid conversion, X, is presented in mis paper. The model, referred to the generalized model, is demonstrated to be applicable to any solid reactant of general structure ranging from highly porous to nonporous materials. It is shown that the generalized model incorporates the grain and pore structure for a solid pellet and can be reduced to the grain and random pore models as extreme cases.展开更多
A 2D model is built on the package of FLUENT to study the effects of radial aspect ratio （R/W）, length-to-width ratio （L/W）, strain rate （SR）, and buoyancy （Ri=Gr/Re^2） on the validation of the simplified 1D m...A 2D model is built on the package of FLUENT to study the effects of radial aspect ratio （R/W）, length-to-width ratio （L/W）, strain rate （SR）, and buoyancy （Ri=Gr/Re^2） on the validation of the simplified 1D model. In the present 2D model, the methane/air homogeneous reaction mechanism of Peters and the methane/air/platinum heterogeneous reaction mechanism of Deutschmann are applied. By comparison between the 1D and 2D numerical results, it is found that the validation of 1D model is highly related with the catalytic stagnation reactor configuration. For length-to-width ratio L/W = 1 configuration, 1D laminar model is applicable when the radial aspect ratio R/W 〉 0.4. For R/W = 0.6, the reactor exhibited 1D characteristics when L/W 〈 1. Compared with the temperature and species profiles, the velocity distribution along the axis is more sensitive to the change of radial aspect ratio and length-to-width ratio. With increasing of the strain rate, the flame front goes closer to the catalytic wall surface and the difference between the 1D and 2D results decreases. For a valid 1D simulation, it is recommended that the strain rate should be convection can be neglected when Ri〈 5. greater than 20 s^-1. The effects of natural展开更多
文摘In this study a mathematical model of a small scale single pellet for the oxidative coupling of methane（OCM）over titanite pervoskite is developed.The method is based on a computational fluid dynamics（CFD）code which known as Fluent may be adopted to model the reactions that take place inside the porous catalyst pellet.The steady state single pellet model is coupled with a kinetic model and the intra-pellet concentration profiles of species are provided.Subsequent to achieving this goal,a nonlinear reaction network consisting of nine catalytic reactions and one gas phase reaction as an external program is successfully implemented to CFD-code as a reaction term in solving the equations.This study is based on the experimental design which is conducted in a differential reactor with a Sn/BaTiO3 catalyst（7-8 mesh） at atmospheric pressure,GHSV of 12000 h-1,ratio of methane to oxygen of 2,and three different temperatures of 1023,1048 and 1073 K.The modeling results such as selectivity and conversion at the pellet exit are in good agreement with the experimental data.Therefore,it is suggested that to achieve high yield in OCM process the modeling of the single pellet should be considered as the heart of catalytic fixed bed reactor.
基金the National Key Basic Research Development Project of China (2001CB209201)
文摘The combustion processes of homogeneous charge compression ignition （HCCI） engines whose piston surfaces have been coated with catalyst （rhodium or platinum） were numerically investigated. A singlezone model and a multi-zone model were developed. The effects of catalytic combustion on the ignition timing of the HCCI engine were analyzed through the single-zone model. The results showed that the ignition timing of the HCCI engine was advanced by the catalysis. The effects of catalytic combustion on HC, CO and NOx emissions of the HCCI engine were analyzed through the multi-zone model. The results showed that the emissions of HC and CO （using platinum （Pt） as catalyst） were decreased, while the emissions of NOx were elevated by catalytic combustion. Compared with catalyst Pt, the HC emissions were lower with catalyst rhodium （Rh） on the piston surface, but the emissions of NOx and CO were higher.
基金Project supproted by University of Queensland, Australia.
文摘Based on a general classification and characteristic comparison of the existing models, a new model for non-catalytic gas-solid reactions is proposed and a general formulation for the model in terms of the solid conversion, X, is presented in mis paper. The model, referred to the generalized model, is demonstrated to be applicable to any solid reactant of general structure ranging from highly porous to nonporous materials. It is shown that the generalized model incorporates the grain and pore structure for a solid pellet and can be reduced to the grain and random pore models as extreme cases.
基金supported by the National Natural Science Foundation of China(Nos.11172296 and 50936005)
文摘A 2D model is built on the package of FLUENT to study the effects of radial aspect ratio （R/W）, length-to-width ratio （L/W）, strain rate （SR）, and buoyancy （Ri=Gr/Re^2） on the validation of the simplified 1D model. In the present 2D model, the methane/air homogeneous reaction mechanism of Peters and the methane/air/platinum heterogeneous reaction mechanism of Deutschmann are applied. By comparison between the 1D and 2D numerical results, it is found that the validation of 1D model is highly related with the catalytic stagnation reactor configuration. For length-to-width ratio L/W = 1 configuration, 1D laminar model is applicable when the radial aspect ratio R/W 〉 0.4. For R/W = 0.6, the reactor exhibited 1D characteristics when L/W 〈 1. Compared with the temperature and species profiles, the velocity distribution along the axis is more sensitive to the change of radial aspect ratio and length-to-width ratio. With increasing of the strain rate, the flame front goes closer to the catalytic wall surface and the difference between the 1D and 2D results decreases. For a valid 1D simulation, it is recommended that the strain rate should be convection can be neglected when Ri〈 5. greater than 20 s^-1. The effects of natural
