All-Atom Molecular Dynamics of Pure Water–Methane Gas Hydrate Systems under Pre-Nucleation Conditions: A Direct Comparison between Experiments and Simulations of Transport Properties for the Tip4p/Ice Water Model

All-Atom Molecular Dynamics of Pure Water–Methane Gas Hydrate Systems under Pre-Nucleation Conditions: A Direct Comparison between Experiments and Simulations of Transport Properties for the Tip4p/Ice Water Model

(1) Background: New technologies involving gas hydrates under pre-nucleation conditions such as gas separations and storage have become more prominent. This has necessitated the characterization and modeling of the transport properties of such systems. (2) Methodology: This work explored methane hyd...

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Bibliographic Details
Main Authors: André Guerra, Samuel Mathews, Milan Marić, Phillip Servio, Alejandro D. Rey
Format: Article
Language:English
Published: MDPI AG 2022-08-01
Series:Molecules
Subjects:
water
methane
hydrates
viscosity
diffusivity
molecular dynamics
Online Access:https://www.mdpi.com/1420-3049/27/15/5019

Internet

https://www.mdpi.com/1420-3049/27/15/5019

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