7 records found
1
Molecular simulation of gas adsorption and diffusion in a breathing MOF using a rigid force field
NH2-MIL-53(Al) based mixed matrix membranes for separation of CO2 and CH4
Negative thermal expansion of Cu-BTC: Influence on the adsorption of several gases
Identification of adsorption sites in Cu-BTC by experimentation and molecular simulation
Computing the heat of adsortion using molecular simulations: the effect of strong coulombic interactions