most citedCorrelation between structure and dynamics of CO confined in Mg-MOF-74 and the role of inter-crystalline space: A molecular dynamics simulation study

13 citations · 13 across the 1 of their papers we have counts for

collaborators

2 papers

physics.chem-ph2022★ 13 cited

Correlation between structure and dynamics of CO confined in Mg-MOF-74 and the role of inter-crystalline space: A molecular dynamics simulation study

I. Dhiman, M. C. Berg, David R. Cole +1

Mg-MOF-74 is a metal-organic framework (MOF) that exhibits a high capacity for CO adsorption. Given the importance of CO confinement in Mg-MOF-74 for capture and storage ap…

cond-mat.soft2021

Effects of Pore Connectivity and Tortuosity on the Dynamics of Fluids Confined in Sub-nanometer Pores

Siddharth Gautam, David R. Cole

We report molecular dynamics simulation studies addressing the effects of pore connectivity on the dynamics of two representative fluids CO and ethane in silicalite by systemat…