Molecular hydrodynamics of the partially rough sphere fluid

Publisher Website
Google Scholar
Abstract
Molecular hydrodynamics is used to theoretically describe recent computer experiments on rough and partially rough sphere fluids. Agreement with the experimental translational and rotational diffusion coefficients may be obtained when the macroscopic boundary conditions of the hydrodynamics are made to depend on the microscopic boundary conditions of the collision dynamics. An attempt to extend the treatment to a self‐consistent theory of the linear and angular velocity correlation functions (VCF and AVCF) fails, due to the unphysical short time behavior of the hydrodynamic VCF. The hydrodynamic AVCF appears to reproduce the structure due to changes in microscopic roughness, although quantitative agreement is not found at all densities. The long time behavior of the hydrodynamic AVCF is discussed.