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Kinetics of partly diffusion‐controlled reaction XXI: A simple algorithm for computing the apparent rate of reaction
Author(s) -
Andre J. C.,
Baros F.,
Sousa A. T. Reis E.
Publication year - 1989
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/kin.550210502
Subject(s) - chemistry , reaction rate constant , diffusion , kinetics , simple (philosophy) , function (biology) , range (aeronautics) , constant (computer programming) , reaction–diffusion system , thermodynamics , chemical kinetics , space (punctuation) , reaction rate , smoluchowski coagulation equation , statistical physics , order (exchange) , rate equation , classical mechanics , physics , organic chemistry , philosophy , materials science , computer science , composite material , biology , epistemology , evolutionary biology , programming language , catalysis , finance , economics , linguistics
Starting from Smoluchowski's hypothesis, a simple algorithm is developed in order to obtain the apparent rate constant at large values of time, t , with some physical and chemical processes, as in the case of diffusion controlled reactions. Some practical examples are illustrated, assuming nonuniform distribution function, space‐dependent diffusion coefficient or short‐range interaction leading to an asymptotic analytical expression of the form α + β/√ t , where α and β are constants function of the system of interest.