Chemical Physics, ( ISI ), Year (2006-3)

Title : Determination of potential energy functions of CO-CO, CO2-CO2, and N2O-N2O and calculation of their ( Determination of potential energy functions of CO-CO, CO2-CO2, and N2O-N2O and calculation of their )

Authors: Mohsen Abbaspour , Elaheh Kafshdare Goharshadi ,

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The potential energy functions of CO–CO, CO2–CO2, and N2O–N2O systems have been determined via the inversion of reduced viscosity collision integrals at zero pressure and fitted to obtain analytical potential forms. The potentials produce viscosity, thermal conductivity, self-diffusion coefficient, and second virial coefficients of carbon monoxide, carbon dioxide, and nitrous oxide over wide temperature ranges within experimental errors. The potentials of carbon monoxide and carbon dioxide have been compared with the recently obtained ab initio potentials and the potential of nitrous oxide has been compared with the Stockmayer potential. We have also derived very accurate equations for viscosity, self-diffusion coefficient, and second virial coefficient of CO, CO2, and N2O in a wide temperature range.

Keywords

, Collision integral; Inversion method; Potential energy function; Self, diffusion coefficient; Thermal conductivity; Viscosity; Second
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@article{paperid:202464,
author = { Abbaspour, Mohsen and Kafshdare Goharshadi, Elaheh},
title = {Determination of potential energy functions of CO-CO, CO2-CO2, and N2O-N2O and calculation of their},
journal = {Chemical Physics},
year = {2006},
month = {March},
issn = {0301-0104},
keywords = {Collision integral; Inversion method; Potential energy function; Self-diffusion coefficient; Thermal conductivity; Viscosity; Second virial coefficient},
}

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%0 Journal Article
%T Determination of potential energy functions of CO-CO, CO2-CO2, and N2O-N2O and calculation of their
%A Abbaspour, Mohsen
%A Kafshdare Goharshadi, Elaheh
%J Chemical Physics
%@ 0301-0104
%D 2006

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