Bulk approaches to studying heterogeneous systems obscure important details, as they
report average behavior rather than the distribution of behaviors in such environments …

Molecular dynamics simulations are used to investigate the diffusion process of
nanoparticles in polymer melts. The effects of size, concentration, and mass of the particle …

The authors employed the equilibrium molecular dynamics technique to calculate the self-
diffusion coefficient and the shear viscosity for simple fluids that obey the Lennard-Jones 6 …

Using molecular dynamics computer simulation, we have calculated the velocity
autocorrelation function and diffusion constant for a variety of solutes in a dense fluid of …

Nonequilibrium statistical mechanics (NESM), practically synonymous with time-dependent
statistical mechanics (TDSM), is a beautiful and profound subject, vast in scope, diverse in …

We present a study of the dynamics of small solute particles in a solvent medium where the
solute is much smaller in size, mimicking the diffusion of small particles in crowded …

Tracer diffusivities (limiting mutual diffusion coefficients) of nonassociated aromatic
compounds in n-hexane and cyclohexane have been measured at 298.2 K by Taylor's …

We have carried out extensive molecular dynamics simulations of a supercooled
polydisperse Lennard-Jones liquid with large variations in temperature at a fixed pressure …

The Brownian motion of a particle in a fluid is often described by the linear Langevin
equation, in which it is assumed that the mass of the particle is sufficiently large compared to …

We study the diffusion of small solute particles through solvent by keeping the solute–
solvent interaction repulsive and varying the solvent properties. The study involves computer …