524649 First-Principles-Derived Force Fields for CH4 Adsorption and Diffusion in Siliceous Zeolites

Hanjun Fang1, Rohan Awati1, Salah Eddine Boulfelfel1, Peter I. Ravikovitch2 and David S. Sholl1, (1)School of Chemical & Biomolecular Engineering, Georgia Institute of Technology, Atlanta, GA, (2)ExxonMobil Research and Engineering, Annandale, NJ
See more of this Session: Molecular Simulation of Adsorption II
See more of this Group/Topical: Separations Division