A Perturbation Theory for Friction of a Large Particle Immersed in a Binary Solvent

Abstract

A new theory of a binary solvent is developed to study the effects of the density of solvent particles around a large solute particle on friction. To develop the theory, the solvent particles are assumed to be much smaller than the solute particle, and then a perturbation expansion is employed. The expansion allows one to derive hydrodynamic equations with boundary conditions on the surface of a solute. The boundary conditions are calculated from the radial distribution functions of a binary solvent. The hydrodynamic equations with the boundary conditions provide an analytical expression for the friction. The developed theory is applied to a binary hard-sphere system. The present theory shows that the friction in the system has larger values than those predicted by the Stokes law.

Basic Cell Size Dependence of Displacement for a Solvation Motor in a Lennard-Jones Solvent

“…A similar problem has been pointed out in the MD simulation to obtain the diffusion coefficient of a macromolecule in a solution [2][3][4][5]. There are several theoretical studies to obtain the diffusion coefficient of a macromolecule in explicit solvent molecules without simulation [6][7][8].…”

Usefulness of Higher Order of System-Size Correction for Diffusion Coefficients of Macromolecules: A Molecular Dynamics Study

“…The change of diffusion coefficients due to the solvation change was studied theoretically by Nakamura et al [11,12,13,14,15]. The diffusion coefficients of a hard sphere in a binary hard sphere mixture were calculated and the fraction dependences were studied.…”

Brownian motion probe for water-ethanol inhomogeneous mixtures

“…The transportation of biomolecules in cells is also influenced by thermal Brownian motion. 17 However, applications of Brownian motion is lacking in terms of revealing the interaction between liquid mixtures and dynamic fluctuations at the molecular level.…”