Solute transport through interpenetrating polymeric networks of poly(vinyl alcohol) and poly(acrylic acid) at pH 3 or 6 was studied in order to investigate the influence of possible solute binding on the transport process through the networks. Diffusion of theophylline, vitamin B12, and myoglobin was analyzed, and diffusion and partition coefficients were determined. Analysis using the free vol...

[1] Temporary storage of solutes in streams is often controlled by flow-induced uptake in hyporheic zones. This phenomenon accounts for the tails that are generally observed following the passage of a solute pulse, and such exchange is particularly important for the transport of reactive substances that can be subject to various biogeochemical processes in the subsurface. Advective pumping, ind...

We present a three-dimensional framework for the transport of neutral solute through soft biological tissue, such as the articular cartilage, under different mechanical loading conditions. The tissue is modelled as a mixture of three phases, a hyperelastic, anisotropic solid matrix, an incompressible inviscid fluid and a solute. The formulation accounts for the anisotropic interaction between t...

An attempt to generalize the Langevin dynamics simulation method is presented based on the generalized Langevin theory of liquids, in which the dynamics of both solute and solvent is treated by the generalized Langevin equations, but the integration of the equation of motion of solute is made in the manner similar to the ordinary molecular dynamics simulation with discretized time steps along a...

The long wavelength limit of a recent microscopic phase-field crystal (PFC) theory of a binary alloy mixture is used to derive an analytical approximation for the segregation coefficient as a function of the interface velocity, and relate it to the two-point correlation function of the liquid and the thermodynamic properties of solid and liquid phases. Our results offer the first analytical der...

We determined the equilibrium distribution of twenty-one nonmetabolized nonelectrolytes in frog muscle cells. In all cases, plots of the equilibrium intracellular concentrations of a solute in the cell water against the external concentrations of the solute yielded straight lines in agreement with the prediction of such a rectilinear plot by the polarized multilayer (PM) theory. The slopes of t...

Molecular dynamics simulations are presented for condensed-phase electron transfer (ET) systems where the electronic polarizability of both the solvent and the solute is incorporated. The solute polarizability is allowed to change with electronic transition. The results display notable deviation from the standard free energy parabolas of traditional ET theories. A new three-parameter ET model i...

A theory of radiation absorption by dielectric mixtures is presented. The coarse-grained formulation is based on the wave-vector-dependent correlation functions of molecular dipoles of the host polar liquid and a density structure factor of the solutes. A nonlinear dependence of the dielectric absorption coefficient on the solute concentration is predicted and originates from the mutual polariz...