Zhao Zhang, Ziqi Guo, Shengfu Ji. Numerical simulation of fixed bed reactor for oxidative coupling of methane over monolithic catalyst[J]. 中国化学工程学报(英文版), 2015,23(10):1627-1633.
Zhao Zhang, Ziqi Guo, Shengfu Ji. Numerical simulation of fixed bed reactor for oxidative coupling of methane over monolithic catalyst[J]. Chin.J.Chem.Eng., 2015, 23(10): 1627-1633.
Zhao Zhang, Ziqi Guo, Shengfu Ji. Numerical simulation of fixed bed reactor for oxidative coupling of methane over monolithic catalyst[J]. 中国化学工程学报(英文版), 2015,23(10):1627-1633.DOI: 10.1016/j.cjche.2015.07.025.
Zhao Zhang, Ziqi Guo, Shengfu Ji. Numerical simulation of fixed bed reactor for oxidative coupling of methane over monolithic catalyst[J]. Chin.J.Chem.Eng., 2015, 23(10): 1627-1633.DOI: 10.1016/j.cjche.2015.07.025.
Numerical simulation of fixed bed reactor for oxidative coupling of methane over monolithic catalyst
摘要
Abstract
A three-dimensional geometric modelwas set up for the oxidative coupling of methane (OCM) fixed bed reactor loaded with Na
3
PO
4
-Mn/SiO
2
/cordierite monolithic catalyst
and an improved Stansch kinetic model was established to calculate the OCMreactions using the computational fluid dynamicsmethod and Fluent software. The simulation conditions were completely the same with the experimental conditions that the volume velocity of the reactant is 80 ml·min
-1
under standard state
the CH
4
/O
2
ratio is 3 and the temperature and pressure is 800 ℃ and 1 atm
respectively. The contour of the characteristic parameters in the catalyst bed was analyzed
such as the species mass fractions
temperature
the heat flux on side wall surface
pressure
fluid density and velocity. The results showed that the calculated valuesmatchedwell with the experimental values on the conversion of CH
4
and the selectivity of products (C
2
H
6
C
2
H
4
CO
CO
2
and H
2
) in the reactor outlet with an error range of ±4%. The mass fractions of CH
4
and O
2
decreased from 0.600 and 0.400 at the catalyst bed inlet to 0.44
5 and 0.120 at the outlet
where the mass fractions of C
2
H
6
C
2
H
4
CO and CO
2
were 0.0245
0.0460
0.0537 and 0.116
respectively. Due to the existence of laminar boundary layer
the mass fraction contours of each species bent upwards in the vicinity of the boundary layer. The volume of OCM reaction was changing with the proceeding of reaction
and the total moles of products were greater than reactants. The flow field in the catalyst bed maintained constant temperature and pressure. The fluid density decreased gradually from 2.28 kg·m
-3
at the inlet of the catalyst bed to 2.18 kg·m
-3
at the outlet of the catalyst bed
while the average velocity magnitude increased from 0.108 m·s
-1
to 0.120 m·s
-1
.
关键词
Keywords
references
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相关作者
Li Xinyu
Song Yiwen
Teng Shenglong
Zeng Dewang
Xu Jingxin
Meng Tong
Wang Yu
Tian Yijuan
相关机构
Key Laboratory of Energy Thermal Conversion and Control of Ministry of Education, School of Energy and Environment, Southeast University
State Key Laboratory of Low-carbon Smart Coal-fired Power Generation and Ultra-clean Emission, China Energy Science and Technology Research Institute Co.,Ltd.
School of Chemistry and Chemical Engineering, Chongqing University
Department of Industrial Chemistry “Toso Montanari”, University of Bologna
State Key Laboratory of Coal Mine Disaster Dynamics and Control