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Published in:

Volume 5 Issue 7
July-2018
eISSN: 2349-5162

UGC and ISSN approved 7.95 impact factor UGC Approved Journal no 63975

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Published Paper ID:
JETIRC006355


Registration ID:
184619

Page Number

267-276

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Title

MOLECULAR SIMULATION STUDY OF DIFFUSION OF METHANE IN A SERIES OF POROUS MATERIALS

Abstract

Molecular dynamics simulations were performed to understand the diffusion of methane molecule in different Nano porous metal organic framework (MOFs).Methane is the major component of natural gas and the work presented here is in the perspective of natural gas storage at lowered pressure using sponge like material having high surface area. Diffusion plays major role in storing gas. Once the gas is inside the MOF material it needs to move to the adsorption sites. Moreover, while delivering the gas out of the MOF material at reduced pressure the gas molecules require to move out of the adsorption sites. Higher the diffusion co-efficient the efficient is the material. Diffusion coefficients were calculated at various temperatures – 220 K, 273 K, 298 K, and 350 K. All the diffusion coefficients were obtained using mean square displacement and using the Einstein’s relation.

Key Words

Molecular dynamics, diffusion, MOF material, temperatures – 220 K, 273 K, 298 K, and 350 K,

Cite This Article

"MOLECULAR SIMULATION STUDY OF DIFFUSION OF METHANE IN A SERIES OF POROUS MATERIALS", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.5, Issue 7, page no.267-276, July-2018, Available :http://www.jetir.org/papers/JETIRC006355.pdf

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2349-5162 | Impact Factor 7.95 Calculate by Google Scholar

An International Scholarly Open Access Journal, Peer-Reviewed, Refereed Journal Impact Factor 7.95 Calculate by Google Scholar and Semantic Scholar | AI-Powered Research Tool, Multidisciplinary, Monthly, Multilanguage Journal Indexing in All Major Database & Metadata, Citation Generator

Cite This Article

"MOLECULAR SIMULATION STUDY OF DIFFUSION OF METHANE IN A SERIES OF POROUS MATERIALS", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.5, Issue 7, page no. pp267-276, July-2018, Available at : http://www.jetir.org/papers/JETIRC006355.pdf

Publication Details

Published Paper ID: JETIRC006355
Registration ID: 184619
Published In: Volume 5 | Issue 7 | Year July-2018
DOI (Digital Object Identifier):
Page No: 267-276
Country: -, -, - .
Area: Physics
ISSN Number: 2349-5162
Publisher: IJ Publication


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