20 citations · 67 across the 7 of their papers we have counts for
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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…
Influence of orientational disorder in the adsorbent on the structure and dynamics of the adsorbate: MD simulations of SO in ZSM-22
I. Dhiman, Sadique Vellamarthodika, Siddharth Gautam
Structural and dynamical behavior of SO molecules within ZSM22 is studied using MD simulations, to understand the influence of orientational disorder (OD) and intercrystalline…
Role of Orientational Disorder in ZSM-22 in the Adsorption of SO
Sadique Vellamarthodika, Siddharth Gautam
Computational studies addressing the adsorption of fluids in nano-porous materials mostly use ideal single crystal models of the adsorbent. While a few recent studies have tried to…