A Lattice Boltzmann Method for Non Ideal Gases Based on the Gradient Theory of Interfaces

摘要

In the present study we propose a Lattice Boltzmann Equation (LBE) model that is based on the mechanical approach of the gradient theory of interfaces. The basic input is the radial distribution function, which is related directly to the molecular interaction potential, rather than semi-empirical equations of state used in previous LBE models. This function is provided from independent molecular simulations. The proposed model has been applied to obtain equilibrium bulk and interfacial properties of Lennard-Jones fluids at different temperatures. The results demonstrate that the proposed model is in excellent agreement with gradient theory as well as with independent literature results based on different molecular simulation approaches. Hence the proposed LBE model can recover accurately bulk and interfacial thermodynamics for Lennard Jones fluids at temperatures that can be as low as 90% of the critical one.