A fast approximation method for computing effectiveness factors with non-linear kinetics

被引:26
作者
Hayes, R. E. [1 ]
Mok, P. K.
Mmbaga, J.
Votsmeier, M.
机构
[1] Univ Alberta, Dept Chem & Mat Engn, Edmonton, AB T6G 2G6, Canada
[2] Umicore, Automot Catalysis Div, Res & Dev, Hanau, Germany
基金
加拿大自然科学与工程研究理事会;
关键词
monolith; washcoat; diffusion; simulation; catalytic combustion; geometry effects;
D O I
10.1016/j.ces.2007.01.018
中图分类号
TQ [化学工业];
学科分类号
0817 ;
摘要
This paper describes an approximation method for the estimation of effectiveness factors in porous catalysts that have reactions with non-linear kinetic models. The reaction rate expression is expressed as a combination of two asymptotic solutions based on a local concentration, leading to an approximate rate function containing four parameters. The effectiveness factors computed with the approximated rate are shown to be close to the values calculated from the real rate function for a variety of non-linear LHHW type models. The advantage of the approximate method is that a given set of four parameters, which can easily be calculated, uniquely identifies an effectiveness factor. This observation enables the construction of a table from which the effectiveness factor can be readily extracted during reactor simulation, thus resulting in a decrease in computational effort. (c) 2007 Elsevier Ltd. All rights reserved.
引用
收藏
页码:2209 / 2215
页数:7
相关论文
共 13 条
[1]   GENERAL EXPRESSION FOR CORRELATION OF RATES OF TRANSFER AND OTHER PHENOMENA [J].
CHURCHILL, SW ;
USAGI, R .
AICHE JOURNAL, 1972, 18 (06) :1121-+
[2]  
FROMENT GF, 1990, CHEM REACTOR ANAL
[3]  
Hayes R. E., 1997, INTRO CATALYTIC COMB
[4]   Calculating effectiveness factors in non-uniform washcoat shapes [J].
Hayes, RE ;
Liu, B ;
Votsmeier, M .
CHEMICAL ENGINEERING SCIENCE, 2005, 60 (07) :2037-2050
[5]   Three-way catalytic converter modelling with detailed kinetics and washcoat diffusion [J].
Hayes, RE ;
Mukadi, LS ;
Votsmeier, M ;
Gieshoff, J .
TOPICS IN CATALYSIS, 2004, 30-1 (1-4) :411-415
[6]   The effect of washcoat geometry on mass transfer in monolith reactors [J].
Hayes, RE ;
Liu, B ;
Moxom, R ;
Votsmeier, M .
CHEMICAL ENGINEERING SCIENCE, 2004, 59 (15) :3169-3181
[7]   MASS AND HEAT-TRANSFER EFFECTS IN CATALYTIC MONOLITH REACTORS [J].
HAYES, RE ;
KOLACZKOWSKI, ST .
CHEMICAL ENGINEERING SCIENCE, 1994, 49 (21) :3587-3599
[8]   The palladium catalysed oxidation of methane: reaction kinetics and the effect of diffusion barriers [J].
Hayes, RE ;
Kolaczkowski, ST ;
Li, PKC ;
Awdry, S .
CHEMICAL ENGINEERING SCIENCE, 2001, 56 (16) :4815-4835
[9]   Diffusion limitation effects in the washcoat of a catalytic monolith reactor [J].
Leung, D ;
Hayes, RE ;
Kolaczkowski, ST .
CANADIAN JOURNAL OF CHEMICAL ENGINEERING, 1996, 74 (01) :94-103
[10]   Modelling the three-way catalytic converter with mechanistic kinetics using the Newton-Krylov method on a parallel computer [J].
Mukadi, LS ;
Hayes, RE .
COMPUTERS & CHEMICAL ENGINEERING, 2002, 26 (03) :439-455