8 citations · 12 across the 16 of their papers we have counts for
16 papers
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…
Transport Properties of Anisotropic Polar Fluids:2. Dipolar Interaction
G. A. Fernandez, J. Vrabec, H. Hasse
Equilibrium molecular dynamics simulation and the Green-Kubo formalism were used to calculate self-diffusion coefficient, shear viscosity, and thermal conductivity for 38 different…
Transport Properties of Anisotropic Polar Fluids: 1. Quadrupolar Interaction
G. A. Fernandez, J. Vrabec, H. Hasse
Equilibrium molecular dynamics simulation and the Green-Kubo formalism were used to calculate self-diffusion coefficient, shear viscosity,and thermal conductivity for 30 different…
Prediction of Transport Properties by Molecular Simulation: Methanol and Ethanol and their mixture
Gabriela Guevara-Carrion, Carlos Nieto-Draghi, Jadran Vrabec +1
Transport properties of liquid methanol and ethanol are predicted by molecular dynamics simulation. The molecular models for the alcohols are rigid, non-polarizable and of united-a…
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…
Grand Equilibrium: vapour-liquid equilibria by a new molecular simulation method
J. Vrabec, H. Hasse
A new molecular simulation method for the calculation of vapour-liquid equilibria of mixtures is presented. In this method, the independent thermodynamic variables are temperature…