Title : ( Determination of Potential Energy Function of CF4-CF4 via the Inversion of Reduced Viscosity Collision Integrals at Zero Pressure )
Authors: Elaheh Kafshdare Goharshadi , Mohsen Abbaspour , Ali Morsali ,
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Abstract
The potential energy function of carbon tetrafluoride has been detd. via the inversion of reduced viscosity collision integrals at corresponding states and zero pressure and fitted to obtain an anal. potential form. A comparison of the potential with the recently detd. potential by means of ab initio MO calcns. at the MP2/6-31+G(3d) level of theory has been included. The interaction potential energy from the inversion procedure reproduces, within exptl. error, the viscosity, self-diffusion coeff., and second virial coeff. of carbon tetrafluoride over a wide temp. range. We have also derived very accurate equations for the viscosity, self-diffusion coeff., and second virial coeff. of carbon tetrafluoride in a more extended temp. range than those of previous ones.
Keywords
, Potential energy function; Carbon tetrafluoride; Viscosity; Self, diffusion coefficient; Second virial coefficient
@article{paperid:1008739,
author = {Kafshdare Goharshadi, Elaheh and Abbaspour, Mohsen and Morsali, Ali},
title = {Determination of Potential Energy Function of CF4-CF4 via the Inversion of Reduced Viscosity Collision Integrals at Zero Pressure},
journal = {Industrial and Engineering Chemistry Research},
year = {2003},
month = {March},
issn = {0888-5885},
keywords = {Potential energy function; Carbon tetrafluoride; Viscosity; Self-diffusion coefficient; Second virial coefficient},
}
%0 Journal Article
%T Determination of Potential Energy Function of CF4-CF4 via the Inversion of Reduced Viscosity Collision Integrals at Zero Pressure
%A Kafshdare Goharshadi, Elaheh
%A Abbaspour, Mohsen
%A Morsali, Ali
%J Industrial and Engineering Chemistry Research
%@ 0888-5885
%D 2003
