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CFD modeling of reaction and mass transfer through a single pellet: Catalytic oxidative coupling of methane 被引量:1
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作者 siavash seyednejadian Nakisa Yaghobi +1 位作者 Ramin Maghrebi Leila Vafajoo 《Journal of Natural Gas Chemistry》 EI CAS CSCD 2011年第4期356-363,共8页
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
关键词 catalyst pellet oxidative coupling of methane modeling CFD catalytic reactions ETHANE
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CFD modeling of catalyst pellet for oxidative coupling of methane:Heat transfer and reaction 被引量:1
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作者 Ramin Maghrebi Nakisa Yaghobi +1 位作者 siavash seyednejadian Mitra H.Tabatabaei 《Particuology》 SCIE EI CAS CSCD 2013年第5期506-513,共8页
This study deals with the phenomena occuring at single-pellet catalyst scale for the oxidative coupling of methane where heat transfer plays an important role. Computational fluid dynamics (CFD) is used for obtainin... This study deals with the phenomena occuring at single-pellet catalyst scale for the oxidative coupling of methane where heat transfer plays an important role. Computational fluid dynamics (CFD) is used for obtaining detailed rate and temperature profiles through the porous catalytic pellet where reaction and diffusion compete, lntra-particle temperature and concentration gradients were taken into account by solving heat transfer coupled with continuity equations in the catalyst pellet. In heat transfer, the energy term due to highly exothermic reaction was considered. Two external programs were successfully implemented into the CFD-code as kinetic and heat of reaction terms. Simulation results showed that reaction was favored at the beginning for the pellet, followed by diffusion predomination. The results of CFD simulation indicate that temperature variation within the catalyst pellet is 〈2 K due to exothermic oxidation. The results showed further that exothermic oxidation reactions occurred prior to endothermic coupling reaction in the pellet. 展开更多
关键词 Catalyst pelletOxidative coupling of methaneModelingCFDKinetics
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