Due to the significance of gas storage in recent years, the importance of its most crucial
operational and economic aspect, the cushion gas, has come under great scrutiny. The …

Molecular simulation has become increasingly common as a means to study properties of
pure supercritical fluids (SCFs) as well as their solutions. With the large number of studies …

Mutual diffusion of six hydrocarbons (methane, ethane, isobutane, benzene, toluene or
naphthalene) diluted in supercritical carbon dioxide (CO 2) is studied by molecular …

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 …

We investigated the capability of MoS 2 membrane for separation of natural gas mixtures,
including CH 4/CO 2, CH 4/H 2 S and CH 4/CO 2/H 2 S mixtures. The permeation …

The applications of molecular simulation in supercritical carbon dioxide (S-CO2) and its
mixtures are reviewed. First, an overview of physical properties of S-CO2 and CO2 models is …

The hydrogen bonding and dynamics in a supercritical mixture of carbon dioxide with
ethanol as a cosolvent (X ethanol∼ 0.1) were investigated using molecular dynamics …

The diffusion coefficients of n-alkanes (from CH4 to C14H30) in near critical and
supercritical carbon dioxide at infinite dilution have been studied by molecular dynamics …

The effect of the addition of a small amount of ethanol cosolvent in supercritical CO2 on the
solvation structure and dynamics of caffeine in a mixed supercritical solvent has been …

The effect of intermolecular interactions of different strength on the local density
inhomogeneities in pure supercritical fluids (scfs), with different intramolecular structure, was …