Structure and stability of the sH binary hydrate cavity and host‐guest versus guest‐guest interactions therein: A DFT approach

S Mondal, G Jana, HK Srivastava… - Journal of …, 2023 - Wiley Online Library
The intrinsic ability of clathrate hydrates to encage gaseous molecules is explored.
Encapsulation ability depends on the cavity size and the type of guest gaseous species in …

β-d-Glucopyranose–Silver+ (1: 1) complex assisted aromaticity involving electron deficient X3 (X= Be, Mg) core

S Mondal, D Chakraborty, PK Chattaraj - Inorganica Chimica Acta, 2024 - Elsevier
Seeing the frontier molecular orbitals (FMO) picture of β-d-glucopyranose–silver+ (1: 1)
complex ([Ag (C 6 H 12 O 6)]+) reported in a recent article (Mondal, 2024)[53], we used the …

Effect of Confinement on Gas Storage Potential and Catalytic Activity

D Chakraborty, S Mondal, R Das… - Chemical Reactivity in …, 2021 - Wiley Online Library
Atoms and molecules exhibit fascinating changes in chemical reactivity vis‐à‐vis their
corresponding free state counterparts, due to the effect of geometrical confinement. The …

Effect of Electric Field on Hydrogen Storage in Clathrate Hydrates

S Mondal, D Chakraborty, PK Chattaraj - 2024 - preprints.org
In this exploratory work, we have examined the impact of an external static electric field on
the H2 storage capacity of clathrate hydrates. To this end, we have chosen the 512 clathrate …

Theoretical Investigation of the Fusion Process of Mono-Cages to Tri-Cages with CH4/C2H6 Guest Molecules in sI Hydrates

S Wei, S Liu, S Cao, S Zhou, Y Chen, Z Wang, X Lu - Molecules, 2021 - mdpi.com
Owing to a stable and porous cage structure, natural gas hydrates can store abundant
methane and serve as a potentially natural gas resource. However, the microscopic …

[图书][B] Experimental Investigation of Sodium Surf Actin as Potential Methane-Water Hydrate Formation Inhibitor

S Suleiman - 2020 - search.proquest.com
The leading technologies employed in gas processing operations, including gas pipeline
transport, are generally chemical based technologies. Chemical based substances are …