CFD modeling of gas flow in porous medium and catalytic coupling reaction from carbon monoxide to diethyl oxalate in fixed-bed reactors

TY - JOUR

T1 - CFD modeling of gas flow in porous medium and catalytic coupling reaction from carbon monoxide to diethyl oxalate in fixed-bed reactors

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 ), the State-Key Laboratory of Chemical Engineering (Tsinghua University) (no. SKL-ChE-10A03 ) and the Fujian Province Science and Technology office of China (no. 2009HZ0005-1 ) for supporting this work. Authors also would like to thank the anonymous referees for comments on this manuscript.

PY - 2011/12/1

Y1 - 2011/12/1

N2 - A comprehensive two-dimensional heterogeneous reactor model was developed to simulate the flow behavior and catalytic coupling reaction of carbon monoxide (CO)-diethyl oxalate (DEO) in a fixed-bed reactor. The two-temperature porous medium model, which was revised from a one-temperature porous medium model, as well as one equation turbulent model, and exponent-function kinetic model was constructed for the turbulent velocity scale comparing with laminar flow and simulation of the catalytic coupling reaction. The simulation results were in good agreement with the actual data collected from certain pilot-plant fixed bed reactors in China. Based on the validated approach and models, the distributions of reaction parameters such as temperature and component concentrations in the reactor were analyzed. The simulations were then carried out to understand the effects of operating conditions on the reactor performance which showed that the conduction oil temperature in the reactor jacket and the CO concentration are the key impact factors for the reactor performance.

AB - A comprehensive two-dimensional heterogeneous reactor model was developed to simulate the flow behavior and catalytic coupling reaction of carbon monoxide (CO)-diethyl oxalate (DEO) in a fixed-bed reactor. The two-temperature porous medium model, which was revised from a one-temperature porous medium model, as well as one equation turbulent model, and exponent-function kinetic model was constructed for the turbulent velocity scale comparing with laminar flow and simulation of the catalytic coupling reaction. The simulation results were in good agreement with the actual data collected from certain pilot-plant fixed bed reactors in China. Based on the validated approach and models, the distributions of reaction parameters such as temperature and component concentrations in the reactor were analyzed. The simulations were then carried out to understand the effects of operating conditions on the reactor performance which showed that the conduction oil temperature in the reactor jacket and the CO concentration are the key impact factors for the reactor performance.

KW - CFD

KW - Catalytic coupling reaction from carbon monoxide to diethyl oxalate

KW - Mathematical modeling

KW - Multiphase reactors

KW - Packed bed

KW - Porous medium

UR - http://www.scopus.com/inward/record.url?scp=80053263575&partnerID=8YFLogxK

U2 - 10.1016/j.ces.2011.08.031

DO - 10.1016/j.ces.2011.08.031

M3 - 文章

AN - SCOPUS:80053263575

SN - 0009-2509

VL - 66

SP - 6028

EP - 6038

JO - Chemical Engineering Science

JF - Chemical Engineering Science

IS - 23

ER -