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
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.