Brownian dynamics: Its application to ionic solutions

• Pierre Turq

  Laboratoire d'Electrochimie−E.R.A. 310, Universite P. et M. Curie, 4 Place Jussieu, 75230 Paris, France

• Frédéric Lantelme

  Laboratoire d'Electrochimie−E.R.A. 310, Universite P. et M. Curie, 4 Place Jussieu, 75230 Paris, France

• Harold L. Friedman

  Department of Chemistry, State University of New York at Stony Brook, Stony Brook, New York 11794

抄録

The method of molecular dynamics is applied to a solvent-averaged model of electrolyte solutions, described by a generalized Langevin equation. For Brownian motion without solute–solute interactions, we recover the characteristic features of an infinitely dilute solution. For interacting brownons, the results exhibit a noticeable dependence of the calculated self-diffusion coefficients on the influence of the Coulomb forces. The model system exhibits ion association when the Coulomb forces are made strong enough.

収録刊行物

• The Journal of Chemical Physics

  The Journal of Chemical Physics 66 (7), 3039-3044, 1977-04-01

  AIP Publishing

キーワード

• Physical and Theoretical Chemistry
• General Physics and Astronomy

詳細情報

• CRID: 1361418520196032640
• NII論文ID: 30015684276
• DOI: 10.1063/1.434317
• ISSN: 10897690
• ISSN: 00219606
• Web Site: https://pubs.aip.org/aip/jcp/article-pdf/66/7/3039/18905951/3039_1_online.pdf
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