Skip to main content
OSTI.GOVU.S. Department of Energy Office of Scientific and Technical Information
U.S. Department of Energy
Office of Scientific and Technical Information
 

A Monte Carlo model for determination of binary diffusion coefficients in gases

Journal Article · · Journal of Computational Physics
 [1]; ;  [2];  [3];  [2];  [3];  [4];  [3];  [4]
  1. Department Physics, University of Bari, Bari (Italy)
  2. CNR IMIP Bari (Italy)
  3. Department Chemistry, University of Bari, Bari (Italy)
  4. Italy
+ Show Author Affiliations
A Monte Carlo method has been developed for the calculation of binary diffusion coefficients in gas mixtures. The method is based on the stochastic solution of the linear Boltzmann equation obtained for the transport of one component in a thermal bath of the second one. Anisotropic scattering is included by calculating the classical deflection angle in binary collisions under isotropic potential. Model results are compared to accurate solutions of the Chapman-Enskog equation in the first and higher orders. We have selected two different cases, H{sub 2} in H{sub 2} and O in O{sub 2}, assuming rigid spheres or using a model phenomenological potential. Diffusion coefficients, calculated in the proposed approach, are found in close agreement with Chapman-Enskog results in all the cases considered, the deviations being reduced using higher order approximations.
OSTI ID:
21499754
Journal Information:
Journal of Computational Physics, Journal Name: Journal of Computational Physics Journal Issue: 14 Vol. 230; ISSN JCTPAH; ISSN 0021-9991
Country of Publication:
United States
Language:
English

Similar Records

Second order in the gradients effects in a dilute binary mixture
Conference · Thu May 01 00:00:00 EDT 1986 · Int. J. Thermophys.; (United States) · OSTI ID:6913111
Nonequilibrium velocity distributions and recombination rates in electron-- ion and ion--ion recombinations in weakly ionized gases
Journal Article · Wed Oct 15 00:00:00 EDT 1975 · J. Chem. Phys., v. 63, no. 8, pp. 3302-3306 · OSTI ID:4198945
Transport properties of disparate mass binary gases from a re-ordering of collision terms. [Binary mixtures]
Journal Article · Tue Dec 31 23:00:00 EST 1974 · Transp. Theory Stat. Phys.; (United States) · OSTI ID:7354336

Related Subjects

97 MATHEMATICS AND COMPUTING
ANISOTROPY
APPROXIMATIONS
BOLTZMANN EQUATION
CALCULATION METHODS
DIFFERENTIAL EQUATIONS
DIFFUSION
ELEMENTS
EQUATIONS
HYDROGEN
INTEGRO-DIFFERENTIAL EQUATIONS
KINETIC EQUATIONS
MATHEMATICAL MODELS
MATHEMATICAL SOLUTIONS
MONTE CARLO METHOD
NONMETALS
OXYGEN
PARTIAL DIFFERENTIAL EQUATIONS
STOCHASTIC PROCESSES
TRANSPORT THEORY