Chemical Physics, ( ISI ), No (127), Year (2009-5) , Pages (185-195)

Title : ( Computation of some thermodynamic properties of nitrogen using a new )

Authors: Elaheh Kafshdare Goharshadi , محسن عباسپور , majid namayandeh jourabchi , مسعود نهالی ,

Access to full-text not allowed by authors

Citation: BibTeX | EndNote

A new pair-potential energy function of nitrogen has been determined via the inversion of reduced viscosity collision integrals and fitted to obtain an analytical potential form. The pair-potential reproduces the second virial coefficient, viscosity, thermal conductivity, self-diffusion coefficient, and thermal diffusion factor of nitrogen in a good accordance with experimental data over wide ranges of temperatures and densities. We have also performed the molecular dynamics simulation to obtain pressure, internal energy, heat capacity at constant volume, and self-diffusion coefficient of nitrogen at different temperatures and densities using our calculated pair-potential and some other potentials. The molecular dynamics of the nitrogen molecules has been also used to determine nitrogen equation of state in two (low and high) pressure ranges. Our results are in a good agreement with experiment and literature values.

Keywords

, Potential energy function; Molecular dynamics simulation; Collision integrals; Second virial coefficient; Self, diffusion coefficient; Viscosity; Thermal conductivity; Thermal diffusion factor; Equation of
برای دانلود از شناسه و رمز عبور پرتال پویا استفاده کنید.

@article{paperid:1009149,
author = {Kafshdare Goharshadi, Elaheh and محسن عباسپور and Namayandeh Jourabchi, Majid and مسعود نهالی},
title = {Computation of some thermodynamic properties of nitrogen using a new},
journal = {Chemical Physics},
year = {2009},
number = {127},
month = {May},
issn = {0301-0104},
pages = {185--195},
numpages = {10},
keywords = {Potential energy function; Molecular dynamics simulation; Collision integrals; Second virial coefficient; Self-diffusion coefficient; Viscosity; Thermal conductivity; Thermal diffusion factor; Equation of state},
}

[Download]

%0 Journal Article
%T Computation of some thermodynamic properties of nitrogen using a new
%A Kafshdare Goharshadi, Elaheh
%A محسن عباسپور
%A Namayandeh Jourabchi, Majid
%A مسعود نهالی
%J Chemical Physics
%@ 0301-0104
%D 2009

[Download]