Molecular dynamics simulations were performed for the prediction of the finite-size effects of
Maxwell-Stefan diffusion coefficients of molecular mixtures and a wide variety of binary …

The system-size dependence of computed mutual diffusion coefficients of multicomponent
mixtures is investigated, and a generalized correction term is derived. The generalized finite …

Diffusion of methane diluted in supercritical carbon dioxide is studied by experiment and
molecular simulation in the temperature range from 292.55 to 332.85 K along the isobars …

In this study, all available data from experiments and molecular simulations for the intra-
diffusivities of H 2 and O 2 in H 2 O, and for the self-diffusivity of pure H 2 O are analyzed to …

To better understand diffusion phenomena in highly nonideal ternary liquid mixtures,
cyclohexane–toluene–methanol is studied by equilibrium molecular dynamics (EMD) …

Mutual diffusion coefficients can be successfully predicted with models based on the Darken
equation. However, Darken-based models require composition-dependent self-diffusion …

For the first time, the Fick diffusion coefficient matrix of a quaternary liquid mixture is sampled
consistently by means of molecular dynamics simulation. The required phenomenological …

Knowledge on thermodynamic and transport properties of aqueous solutions of
carbohydrates is of great interest for process and product design in the food …

To gain an understanding of the transport and thermodynamic behavior of the highly non-
ideal mixture methanol+ cyclohexane, three complementary approaches, ie experiment …

The high cost of the CO2 sequestration in saline aquifers is a barrier to the implementation
of them. However, a large portion of the cost is invested to purify and transport the CO2 from …