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Recent advances in thermodynamics and nucleation of gas hydrates using molecular modeling

Veesam, SK and Ravipati, S and Punnathanam, SN (2019) Recent advances in thermodynamics and nucleation of gas hydrates using molecular modeling. In: Current Opinion in Chemical Engineering, 23 . pp. 14-20.

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Official URL: https://dx.doi.org/10.1016/j.coche.2019.01.003

Abstract

Molecular modeling and simulations have provided valuable insights into our understanding of science of gas hydrates. In this article, we review the role played by molecular modeling towards advancing our knowledge of gas hydrate systems, with specific focus on thermodynamics and nucleation. We highlight the key recent advances achieved through computational research that have led to (i) substantial improvement in the accuracy of the thermodynamic theory and (ii) elucidation of molecular mechanisms involved in the nucleation of gas hydrates. © 2019

Item Type: Journal Article
Additional Information: copyright for this article belongs to Elsevier Ltd
Department/Centre: Division of Mechanical Sciences > Chemical Engineering
Depositing User: Id for Latest eprints
Date Deposited: 08 Apr 2019 11:24
Last Modified: 08 Apr 2019 11:24
URI: http://eprints.iisc.ac.in/id/eprint/62004

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