Computation of some thermodynamic properties of nitrogen using a new
نویسنده:
, , , , ,سال
: 2009
چکیده: 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.
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.
کلیدواژه(گان): Potential energy function,
Molecular dynamics simulation,
Collision integrals,
Second virial coefficient,
Self-diffusion coefficient,
Viscosity,
Thermal conductivity,
Thermal diffusion factor,
کالکشن
:
-
آمار بازدید
Computation of some thermodynamic properties of nitrogen using a new
Show full item record
contributor author | الهه کفشدارگوهرشادی | en |
contributor author | محسن عباسپور | en |
contributor author | مجید نماینده جورابچی | en |
contributor author | مسعود نهالی | en |
contributor author | Elaheh Kafshdare Goharshadi | fa |
contributor author | majid namayandeh jourabchi | fa |
date accessioned | 2020-06-06T13:50:08Z | |
date available | 2020-06-06T13:50:08Z | |
date issued | 2009 | |
identifier uri | http://libsearch.um.ac.ir:80/fum/handle/fum/3371146 | |
description abstract | 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. | en |
language | English | |
title | Computation of some thermodynamic properties of nitrogen using a new | en |
type | Journal Paper | |
contenttype | External Fulltext | |
subject keywords | Potential energy function | en |
subject keywords | Molecular dynamics simulation | en |
subject keywords | Collision integrals | en |
subject keywords | Second virial coefficient | en |
subject keywords | Self-diffusion coefficient | en |
subject keywords | Viscosity | en |
subject keywords | Thermal conductivity | en |
subject keywords | Thermal diffusion factor | en |
subject keywords | en | |
journal title | Chemical Physics | en |
journal title | Chemical Physics | fa |
pages | 185-195 | |
journal volume | 0 | |
journal issue | 127 | |
identifier link | https://profdoc.um.ac.ir/paper-abstract-1009149.html | |
identifier articleid | 1009149 |