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Pure and Applied Chemistry

The Scientific Journal of IUPAC

Ed. by Burrows, Hugh / Weir, Ron / Stohner, Jürgen

12 Issues per year


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1365-3075
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Volume 76, Issue 1

Issues

Transport properties of diatomic ions in moderately dense gases in an electrostatic field

A. D. Koutselos
  • Corresponding author
  • Physical Chemistry Laboratory, Department of Chemistry, National and Kapodistrian University of Athens, Panepistimiopolis, 15771 Athens, Greece
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ J. Samios
  • Corresponding author
  • Physical Chemistry Laboratory, Department of Chemistry, National and Kapodistrian University of Athens, Panepistimiopolis, 15771 Athens, Greece
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
Published Online: 2009-01-01 | DOI: https://doi.org/10.1351/pac200476010223

The motion of diatomic ions in moderately dense fluids under the action of an electrostatic field is studied through a nonequilibrium molecular dynamics simulation method. The method simulates the motion of the ions and the fluid molecules that constitute their immediate environment. Thus, effectively, the dissipation of the excess energy of the ions is reproduced leading to steady drift motion. Results revealed the effect of the fluid density on mobility, ion-effective temperatures and diffusion coefficients parallel and perpendicular to the field at various field strengths for a model diatomic ion in Ar. Extension of the method to dense fluids and to polyatomic ions and neutral molecules is discussed.

Conference

European Molecular Liquids Group (EMLG) Annual Meeting on the Physical Chemistry of Liquids: Novel Approaches to the Structure, Dynamics of Liquids: Experiments, Theories, and Simulation, Rhodes, Greece, 2002-09-07–2002-09-15

About the article

Published Online: 2009-01-01

Published in Print: 2004-01-01


Citation Information: Pure and Applied Chemistry, Volume 76, Issue 1, Pages 223–229, ISSN (Online) 1365-3075, ISSN (Print) 0033-4545, DOI: https://doi.org/10.1351/pac200476010223.

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Citing Articles

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[1]
Andreas D. Koutselos and Jannis Samios
Journal of Molecular Liquids, 2015, Volume 205, Page 115
[3]
Andreas D. Koutselos
The Journal of Chemical Physics, 2006, Volume 125, Number 24, Page 244304

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