The current study denotes the prediction of activity coefficients of fifteen natural phenols
(tyrosol, hydroxytyrosol, oleuropein, caffeic, cinnamic, p-coumaric, ferulic, gallic, p …

The thermal conductivity of the proton exchange membrane significantly affects the
operating performance of the fuel cell. In this work, the impact of water content and …

The present work is focused on the effect of temperature on extraction of gallic acid using
Aliquat 336, tri-n-butyl phosphate and tri-n-octylamine in hexanol and octanol. Distribution …

Here we have performed molecular dynamics simulations to investigate the structures,
dynamics, and hydrogen bonds (HBs) of the imidazolium-based ionic liquid (IL) mixture …

Under pseudo-first-order conditions, monomeric Cr (VI) was found to be kinetically active in
the absence of picolinic acid (PA), whereas in the PA-promoted path, the Cr (VI)–PA …

Temperature and size effects on coalescence behavior of water nanoclusters are
investigated in this paper by means of molecular dynamics simulations. The flexible three …

Medicinal herbs have been known for their use as an alternative medicine in the
management and treatment of different categories of diseases. The present study was …

A molecular dynamics approach has been employed to study the wetting behavior of poly
(methyl methacrylate)(PMMA). The flexible and rigid models of PMMA substrate are …

Molecular dynamics simulation is used to investigate the dynamic properties of water
molecules inside an Au nanotube in different water densities. From the oxygen density …

A molecular dynamics approach has been employed to study the dynamical behavior of a
water droplet adsorbed on a poly (methyl methacrylate)(PMMA) surface. Several sizes of …