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 …

The effect of traces of ethanol in supercritical carbon dioxide on the mixture's thermodynamic
properties is studied by molecular simulations and Taylor dispersion measurements. This …

The contribution of hydrogen bonding interactions to the formation of local density
inhomogeneities in supercritical water at near-critical conditions has been extensively …

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 solvation structure and related dynamics of favipiravir diluted in supercritical CO 2 in a
wide density range (0.2–––2.0 ρ c) along a near-critical isotherm (1.03 T c) have been …

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 …

Molecular dynamics simulations have been performed in a wide range of densities along a
near critical isotherm of supercritical water in order to reveal the interconnection between the …

We present a study of the local electronic structure surrounding the OH group in a series of
alcohols by X-ray Raman scattering at the oxygen K edge. The samples include the linear …

The confinement effects on the structural and dynamic properties of methanol were
investigated by employing Monte Carlo and molecular dynamics simulations using three …

Molecular dynamics simulations have been employed to explore the hydrogen-bonding
structure and dynamics in supercritical octanol-1 at a near-critical temperature and up to …