9 citations · 11 across the 3 of their papers we have counts for
3 papers
Simulation of hydrogen adsorption in hierarchical silicalite: Role of electrostatics and surface chemistry
Siddharth Gautam, David R. Cole, Zoltán Imre Dudás +1
Adsorption in nanoporous materials is one strategy that can be used to store hydrogen at conditions of temperature and pressure that are economically viable. Adsorption capacity of…
Mixtures of Ethane with CO and Water Simulated in ZSM-22: The Role of Polarity and Hydrogen Bonding
Mohammed Musthafa Kummali, David Cole, Siddharth Gautam
Deciphering the interplay between confinement effects and intermolecular interactions in zeolites is crucial for understanding diverse diffusion behaviors of confined molecules. Re…
Influence of molecular shape on self-diffusion under severe confinement: A molecular dynamics study
I. Dhiman, U. R. Shrestha, D. Bhowmik +2
We have investigated the effect of molecular shape and charge asymmetry on the translation dynamics of confined hydrocarbon molecules having different shapes but similar kinetic di…