A Monte Carlo model for determination of binary diffusion coefficients in gases
- Department Physics, University of Bari, Bari (Italy)
- CNR IMIP Bari (Italy)
- Department Chemistry, University of Bari, Bari (Italy)
- Italy
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, Vol. 230, Issue 14; Other Information: DOI: 10.1016/j.jcp.2011.03.053; PII: S0021-9991(11)00215-4; Copyright (c) 2011 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; ISSN 0021-9991
- Country of Publication:
- United States
- Language:
- English
Similar Records
Square-well gas collision integrals and diffusion in a square-well Lorentz gas
Nonequilibrium velocity distributions and recombination rates in electron-- ion and ion--ion recombinations in weakly ionized gases
Related Subjects
ANISOTROPY
APPROXIMATIONS
BOLTZMANN EQUATION
DIFFUSION
HYDROGEN
MATHEMATICAL MODELS
MATHEMATICAL SOLUTIONS
MONTE CARLO METHOD
OXYGEN
STOCHASTIC PROCESSES
TRANSPORT THEORY
CALCULATION METHODS
DIFFERENTIAL EQUATIONS
ELEMENTS
EQUATIONS
INTEGRO-DIFFERENTIAL EQUATIONS
KINETIC EQUATIONS
NONMETALS
PARTIAL DIFFERENTIAL EQUATIONS