Fraunhofer Institute for Algorithms and Scientific Computing SCAIThe vapor pressure of pure compounds or mixtures is routinely accessible via Monte-Carlos simulations in the Gibbs ensemble. The illustration displays the simulation results in comparison to experimental data. Model parameters were taken from Ref. 1.
Vapor pressure and boiling temperatures
References
1. M. Ketko: Development of the TraPPE-UA force field for ethylene oxide, FPE 274 (2008), 44-49