Transferable Potentials for Chloroethenes: Insights into Nonideal Solution Behavior of Environmental Contaminants
Sign Up to like & getrecommendations! Published in 2018 at "ACS Omega"
DOI: 10.1021/acsomega.8b00044
Abstract: Predicting the nonideal phase behavior of binary and multicomponent systems remains a significant challenge for particle-based simulations. Here, we develop a transferable force field for chloroethenes, common environmental contaminants, that can accurately model the vapor… read more here.
Keywords: environmental contaminants; force field; transferable potentials; force ... See more keywords