AN EFFICIENT METHOD OF DETERMINING DIFFUSION-COEFFICIENTS USING EIGENFUNCTION-EXPANSIONS

Authors
Citation
K. Yip et al., AN EFFICIENT METHOD OF DETERMINING DIFFUSION-COEFFICIENTS USING EIGENFUNCTION-EXPANSIONS, Journal of chemical information and computer sciences, 37(2), 1997, pp. 367-371
Citations number
13
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
ISSN journal
00952338
Volume
37
Issue
2
Year of publication
1997
Pages
367 - 371
Database
ISI
SICI code
0095-2338(1997)37:2<367:AEMODD>2.0.ZU;2-9
Abstract
A method using eigenfunction expansions has been implemented to determ ine the diffusion coefficients of electroactive species, The method ha s been successfully applied to the process of single-electron oxidatio n of N,N,N',N'-tetramethyl-p-phenylenediamine (TMPD), The results obta ined by the method agree very well with those from the well establishe d finite difference algorithm and are more reliable in general than th e conventional Levich equation, The computer code developed is versati le and efficient; the method could be of wide application.