An Efficient Method of Determining Diffusion Coefficients Using Eigenfunction Expansions
Author(s) -
K. Yip,
Kin Yip Tam,
Ka Fai Cedric Yiu
Publication year - 1997
Publication title -
journal of chemical information and computer sciences
Language(s) - English
Resource type - Journals
eISSN - 1520-5142
pISSN - 0095-2338
DOI - 10.1021/ci9604652
Subject(s) - eigenfunction , diffusion , code (set theory) , diffusion equation , diffusion process , process (computing) , mathematics , finite difference method , electron , eigenvalues and eigenvectors , mathematical analysis , chemistry , computer science , physics , thermodynamics , quantum mechanics , knowledge management , innovation diffusion , set (abstract data type) , programming language , operating system , economy , economics , service (business)
A method using eigenfunction expansions has been implemented to determine the diffusion coefficients of electroactive species. The method has been successfully applied to the process of single-electron oxidation of N,N,N',N'-tetramethyl-p-phenylenediamine (TMPD). The results obtained by the method agree very well with those from the well established finite difference algorithm and are more reliable in general than the conventional Levich equation. The computer code developed is versatile and efficient; the method could be of wide application.
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