2 papers
physics.chem-ph2009
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…
physics.chem-ph2009
Unlike Lennard-Jones Parameters for Vapor-Liquid Equilibria
T. Schnabel, J. Vrabec, H. Hasse
The influence of the unlike Lennard-Jones (LJ) parameters on vapor-liquid equilibria of mixtures is investigated and the performance of eleven combining rules is assessed. In the f…