LATTICE BOLTZMANN SIMULATION OF VAPOR–LIQUID EQUILIBRIUM ON 3D FINITE LATTICE

Author:

MAYER GUSZTÁV1,HÁZI GÁBOR1,IMRE ATTILA R.2,KRASKA THOMAS3,YELASH LEONID V.3

Affiliation:

1. Simulator Development Department, KFKI Atomic Energy Research Institute, H-1525 Budapest, P. O. Box 49, Hungary

2. Materials Department, KFKI Atomic Energy Research Institute, H-1525 Budapest, P. O. Box 49, Hungary

3. Institut für Physikalische Chemie, Universität zu Köln, Luxemburger Str. 116, D-50939 Köln, Germany

Abstract

Numerical calculations for three-dimensional vapor–liquid equilibria have been accomplished by lattice Boltzmann simulations. The aim of this investigation is to test the capability of the lattice Boltzmann method in comparison with solutions obtained by the underlying equation of state. As a result we have found a finite-size effect (just like the ones obtained in one and two dimensions) at small lattice sizes for all phase equilibrium properties and related constants such as the critical exponent β. Here, systems with up to 1003 lattice sites are investigated. Reasonable convergence has been obtained from about 323 lattice sites.

Publisher

World Scientific Pub Co Pte Lt

Subject

Computational Theory and Mathematics,Computer Science Applications,General Physics and Astronomy,Mathematical Physics,Statistical and Nonlinear Physics

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