A Simulation Study of the Low Temperature Phase Diagram of the Methane Monolayer on Graphite - A Test of Potential Energy Functions

Phys. Chem. Chem. Phys., 2020, Accepted Manuscript DOI: 10.1039/D0CP02720K, PaperHan Zhang, Shiliang Johnathan Tan, Luisa Prasetyo, Duong Do, David Nicholson We have used molecular simulation with two intermolecular potential models, TraPPE-UA and TraPPE-EH , to study the effects of molecular shape on methane adsorption on graphite at low temperatures. The... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - July 14, 2020 Category: Chemistry Authors: Han Zhang Source Type: research