60 citations · 94 across the 8 of their papers we have counts for
8 papers
The air pressure effect on the homogeneous nucleation of carbon dioxide by molecular simulation
Martin Horsch, Zengyong Lin, Thorsten Windmann +2
Vapour-liquid equilibria (VLE) and the influence of an inert carrier gas on homogeneous vapour to liquid nucleation are investigated by molecular simulation for quaternary mixtures…
Prediction of ternary vapor-liquid equilibria for 33 systems by molecular simulation,
Y. -L. Huang, J. Vrabec, H. Hasse
A set of molecular models for 78 pure substances from prior work is taken as a basis for systematically studying vapor-liquid equilibria (VLE) in ternary systems.All 33 ternary mix…
A molecular simulation study of shear and bulk viscosity and thermal conductivity of simple real fluids
G. A. Fernandez, J. Vrabec, H. Hasse
Shear and bulk viscosity and thermal conductivity for argon, krypton, xenon, and methane and the binary mixtures argon+krypton and argon+methane were determined by equilibrium mole…
Thermodynamic Models for Vapor-Liquid Equilibria of Nitrogen+Oxygen+Carbon Dioxide at Low Temperatures
J. Vrabec, G. K. Kedia, U. Buchhauser +2
For the design and optimization of CO2 recovery from alcoholic fermentation processes by distillation, models for vapor-liquid equilibria (VLE) are needed. Two such thermodynamic m…
Henry's Law Constants of Methane, Nitrogen, Oxygen and Carbon Dioxide in Ethanol from 273 to 498 K: Prediction from Molecular Simulation
T. Schnabel, J. Vrabec, H. Hasse
noindent Henry's law constants of the solutes methane, nitrogen, oxygen and carbon dioxide in the solvent ethanol are predicted by molecular simulation. The molecular models for th…
Self diffusion and binary Maxwell-Stefan diffusion in simple fluids with the Green-Kubo method
G. A. Fernandez, J. Vrabec, H. Hasse
Self diffusion coefficients and binary Maxwell-Stefan diffusion coefficients were determined by equilibrium molecular dynamics simulations with the Green-Kubo method. The study cov…