Data for exploring the effect of parameters on decomposition of gas hydrate structure I

This article describes initial and final configurations of methane hydrate structure I as PDB file at various cage occupancies and different temperatures. Cage occupancies from full occupancy to 75% at three temperatures of 290 K, 300 K and 310 K are presented. Dissociation behavior of gas hydrate s...

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Bibliographic Details
Published in:Data in Brief
Main Authors: Mohammad Fani Kheshty, Farshad Varaminian, Nafiseh Farhadian
Format: Article in Journal/Newspaper
Language:English
Published: Elsevier 2018
Subjects:
Computer applications to medicine. Medical informatics
R858-859.7
Science (General)
Q1-390
Methane hydrate
Online Access:https://doi.org/10.1016/j.dib.2018.04.015
https://doaj.org/article/f8242448c54040d381fee6e44c4fd3b4
Description
Summary:This article describes initial and final configurations of methane hydrate structure I as PDB file at various cage occupancies and different temperatures. Cage occupancies from full occupancy to 75% at three temperatures of 290 K, 300 K and 310 K are presented. Dissociation behavior of gas hydrate structure I at the temperature of 300 K is shown in changing the potential energy and radial distribution function.

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