Transport properties of diatomic ions in moderately dense gases
in an electrostatic field
A. D. Koutselos and J. Samios
Physical Chemistry Laboratory, Department of Chemistry,
Kapodistrian University of Athens, Panepistimiopolis, 15771 Athens,
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.
*Lecture presented at the 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, 7-15 September 2002. Other presentations
are published in this issue, pp. 1-261.
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