Modeling of Transport Properties of Hard Sphere fluids and its Applications. In Theory and Simulation of Hard-Sphere Fluids and Related Systems.


Fluid transport properties, such as viscosity, diffusion coefficients, and thermal conductivity, are extremely important in both research and industry. Therefore,it is very important to accurately model the behaviour of these kinetic coefficients.At present, it is not yet possible to give a rigorous theoretical interpretation of the transport properties of dense fluids, since there are many-body interactions involved and because the pair potential energy functions are only known for simple molecules. Nonetheless, for liquids and dense gases, where the repulsive molecular interaction plays a major role in determining their properties, an accurate model for hard spheres can be used as an appealing and tractable first approximation for the major excluded volume and packing effects of real substances. In fact, it has been found that for the liquid viscosity and diffusivity the contribution of the hard sphere term is up to about 70%.This chapter will address the most important issues involved in the modelling of transport properties of hard sphere and modified systems. Special attention is devoted to the development and analysis of the models, as well as their final applications to real substances over wide ranges of temperature and density, from dilute gases to dense fluids, including supercritical fluids and liquids.


Silva CM, Liu H

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