Ontology highlight
ABSTRACT:
SUBMITTER: Hens R
PROVIDER: S-EPMC6150682 | biostudies-literature | 2018 Apr
REPOSITORIES: biostudies-literature
Hens Remco R Vlugt Thijs J H TJH
Journal of chemical and engineering data 20171213 4
The applicability of the Wolf method for calculating electrostatic interactions is verified for simulating vapor-liquid equilibria of hydrogen sulfide, methanol, and carbon dioxide. Densities, chemical potentials, and critical properties are obtained with Monte Carlo simulations using the Continuous Fractional Component version of the Gibbs Ensemble. Saturated vapor pressures are obtained from NPT simulations. Excellent agreement is found between simulation results and data from literature (simu ...[more]