The diversity of the water structure in a three-component system consisting of diluted acetonitrile (AN), water and crosslinked polyacrylamide (PAA) is caused by local structural inhomogeneities and has been investigated by molecular simulations. We extract local structure information of anisotropic fluids from molecular dynamic simulations. For comparison, reference simulations have been perfo...

We present molecular dynamics (MD) simulations results for dense fluids of ultrasoft, fully penetrable particles. These are a binary mixture and a polydisperse system of particles interacting via the generalized exponential model, which is known to yield cluster crystal phases for the corresponding monodisperse systems. Because of the dispersity in the particle size, the systems investigated in...

In the present work, the integral equations method is used to calculate transport properties of polar fluids. For this goal, we use the Stockmayer potential and examine theoretically the thermal conductivity of several refrigerant mixtures such as R125+R134a, R125+R32, R125+R152a, R134a+R32, R152a+R32, R134a+R143a, and R125+R143a. We solve numerically the Ornstein-Zernike (OZ) equation usin...

A free boundary problem for the dynamics of a glasslike binary fluid naturally leads to singular perturbation strongly degenerate parabolic partial differential equation in 1D. We present conjecture an asymptotic formula velocity and prove weak version conjecture. The results are based on analysis family local travelling wave solutions.