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

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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Main Authors: Mohammad Fani Kheshty, Farshad Varaminian, Nafiseh Farhadian
Format: Article
Language:English
Published: Elsevier 2018-06-01
Series:Data in Brief
Online Access:http://www.sciencedirect.com/science/article/pii/S2352340918303664
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spelling doaj-f8242448c54040d381fee6e44c4fd3b42020-11-25T02:19:00ZengElsevierData in Brief2352-34092018-06-011812471251Data for exploring the effect of parameters on decomposition of gas hydrate structure IMohammad Fani Kheshty0Farshad Varaminian1Nafiseh Farhadian2School of Chemical, Gas and Petroleum Engineering, Semnan University, Semnan, I.R., IranSchool of Chemical, Gas and Petroleum Engineering, Semnan University, Semnan, I.R., IranChemical Engineering Department, Faculty of Engineering, Ferdowsi University of Mashhad, I.R., Iran; Corresponding author.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.http://www.sciencedirect.com/science/article/pii/S2352340918303664
collection DOAJ
language English
format Article
sources DOAJ
author Mohammad Fani Kheshty
Farshad Varaminian
Nafiseh Farhadian
spellingShingle Mohammad Fani Kheshty
Farshad Varaminian
Nafiseh Farhadian
Data for exploring the effect of parameters on decomposition of gas hydrate structure I
Data in Brief
author_facet Mohammad Fani Kheshty
Farshad Varaminian
Nafiseh Farhadian
author_sort Mohammad Fani Kheshty
title Data for exploring the effect of parameters on decomposition of gas hydrate structure I
title_short Data for exploring the effect of parameters on decomposition of gas hydrate structure I
title_full Data for exploring the effect of parameters on decomposition of gas hydrate structure I
title_fullStr Data for exploring the effect of parameters on decomposition of gas hydrate structure I
title_full_unstemmed Data for exploring the effect of parameters on decomposition of gas hydrate structure I
title_sort data for exploring the effect of parameters on decomposition of gas hydrate structure i
publisher Elsevier
series Data in Brief
issn 2352-3409
publishDate 2018-06-01
description 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.
url http://www.sciencedirect.com/science/article/pii/S2352340918303664
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AT farshadvaraminian dataforexploringtheeffectofparametersondecompositionofgashydratestructurei
AT nafisehfarhadian dataforexploringtheeffectofparametersondecompositionofgashydratestructurei
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