61 research outputs found
Molecular Simulation of α-Olefins Using a New United-Atom Potential Model: Vapor−Liquid Equilibria of Pure Compounds and Mixtures
Molecular Simulation of the Pure n Hexadecane Vapor−Liquid Equilibria at Elevated Temperature
Thermodynamics of Chain Fluids from Atomistic Simulation: A Test of the Chain Increment Method for Chemical Potential
Prediction of sorption of co2 in glassy atactic polystyrene at elevated pressures through a new computational scheme
Phase Equilibria of Mixtures Containing Chain Molecules Predicted through a Novel Simulation Scheme
A comprehensive investigation on CO2 solubility and kinetics in tricyanomethanide-based ionic liquids:experiments and ePC-SAFT modeling
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