CFD modeling of methanol to olefins process in a fixed-bed reactor

TY - JOUR

T1 - CFD modeling of methanol to olefins process in a fixed-bed reactor

AU - Zhuang, Ya Qing

AU - Gao, Xi

AU - Zhu, Ya ping

AU - Luo, Zheng hong

N1 - Funding Information: The authors thank the National Natural Science Foundation of China (No. 21076171 ) and the State-Key Laboratory of Chemical Engineering (Tsinghua University) (No. SKL-ChE-10A03 ) for supporting this work. Authors also would like to thank the anonymous referees for comments on this manuscript.

PY - 2012/5

Y1 - 2012/5

N2 - A comprehensive two-dimensional (2D) reactor model has been developed to simulate the flow behavior in a fixed-bed reactor for preparing olefins from methanol. An exponent-function kinetic model based on a lumped-species reaction scheme has been incorporated to a commercial computational fluid dynamics (CFD) code Fluent by user defined functions for simulating the methanol to olefins (MTO) reaction. The approach and model have been validated with the actual data collected from open reports where the above kinetic model is adopted. Furthermore, the coke deposition and the component distributions during the MTO reaction over SAPO-34 have been simulated in the fixed bed reactor as a function of feed temperature (673-753K), space velocity (57-113g{dot operator}(gcat{dot operator}h) -1) and feed composition. In addition, the optimizational simulation has also been done. The simulation results show that the methanol conversion and the catalytic deactivation are closely related to each other and are obviously influenced by operation conditions studied in this work.

AB - A comprehensive two-dimensional (2D) reactor model has been developed to simulate the flow behavior in a fixed-bed reactor for preparing olefins from methanol. An exponent-function kinetic model based on a lumped-species reaction scheme has been incorporated to a commercial computational fluid dynamics (CFD) code Fluent by user defined functions for simulating the methanol to olefins (MTO) reaction. The approach and model have been validated with the actual data collected from open reports where the above kinetic model is adopted. Furthermore, the coke deposition and the component distributions during the MTO reaction over SAPO-34 have been simulated in the fixed bed reactor as a function of feed temperature (673-753K), space velocity (57-113g{dot operator}(gcat{dot operator}h) -1) and feed composition. In addition, the optimizational simulation has also been done. The simulation results show that the methanol conversion and the catalytic deactivation are closely related to each other and are obviously influenced by operation conditions studied in this work.

KW - CFD

KW - Fixed-bed reactor

KW - Lumping kinetic model

KW - MTO reaction

UR - http://www.scopus.com/inward/record.url?scp=84862824423&partnerID=8YFLogxK

U2 - 10.1016/j.powtec.2012.01.041

DO - 10.1016/j.powtec.2012.01.041

M3 - 文章

AN - SCOPUS:84862824423

SN - 0032-5910

VL - 221

SP - 419

EP - 430

JO - Powder Technology

JF - Powder Technology

ER -