Title
Explicit formulas for reaction probability in reaction-diffusion experiments
Abstract
A computational procedure is developed for determining the conversion probability for reaction-diffusion systems in which a first-order catalytic reaction is performed over active particles. We apply this general method to systems on metric graphs, which may be viewed as 1-dimensional approximations of 3-dimensional systems, and obtain explicit formulas for conversion. We then study numerically a class of 3-dimensional systems and test how accurately they are described by model formulas obtained for metric graphs. The optimal arrangement of active particles in a 1-dimensional multiparticle system is found, which is shown to depend on the level of catalytic activity: conversion is maximized for low catalytic activity when all particles are bunched together close to the point of gas injection, and for high catalytic activity when the particles are evenly spaced.
Year
DOI
Venue
2019
10.1016/j.compchemeng.2016.06.007
Computers & Chemical Engineering
Keywords
Field
DocType
Heterogeneous catalysis,Temporal analysis of products,Computer simulation,Fractional conversion
Statistical physics,Catalysis,Graph,Active particles,Mathematical optimization,Heterogeneous catalysis,Reaction–diffusion system,Temporal analysis of products,Mathematics
Journal
Volume
ISSN
Citations 
125
0098-1354
0
PageRank 
References 
Authors
0.34
0
4
Name
Order
Citations
PageRank
M. Wallace100.34
R. Feres201.35
G. S. Yablonsky302.37
A. Stern400.34