A molecular dynamics simulation investigation on the solubility of polycyclic aromatic hydrocarbons in supercritical water

COMPASS:  An ab Initio Force-Field Optimized for Condensed-Phase ApplicationsOverview with Details on Alkane and Benzene Compounds

Huai Sun · The Journal of Physical Chemistry B · 1998 · 5.7K citations

Engineering, Computational Chemistry, Chemistry +16

The COMPASS force field: parameterization and validation for phosphazenes

Huai Sun, Pengyu Ren, Joel Fried · Computational and Theoretical Polymer Science · 1998 · 1.5K citations

Biophysical Modeling, Compass Force Field, Biomechanics +4

Supercritical water gasification of biomass for hydrogen production

Sivamohan N. Reddy, Sonil Nanda, Ajay K. Dalai et al. · International Journal of Hydrogen Energy · 2014 · 509 citations

Chemical Engineering, Biomass Conversion, Hydrogen Production +10

Extraction of Organic Pollutants from Environmental Solids with Sub- and Supercritical Water

Steven B. Hawthorne, Yu Yang, David J. Miller · Analytical Chemistry · 1994 · 470 citations

Solvent Extraction, Engineering, Supercritical Fluid Chromatography +17

Theoretical study of the water/1,2-dichloroethane interface: Structure, dynamics, and conformational equilibria at the liquid–liquid interface

Ilan Benjamin · The Journal of Chemical Physics · 1992 · 291 citations

Engineering, Rotational Motion, Liquid–liquid Interface +19