Molecular dynamics of gases and vapors in nanoporous solids. Final LDRD project report

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Description

This report provides a study of gases in microporous solids using molecular modeling. The theory of gas transport in porous materials as well as the molecular modeling literature is briefly reviewed. Work complete is described and analyzed with retard to the prevailing theory. The work covers two simple subjects, construction of porous solid models and diffusion of He, H{sub 2}, Ar and CH{sub 4} down a pressure gradient across the material models as in typical membrane permeation experiments. The broader objective is to enhance our capability to efficiently and accurately develop, produce and apply microporous materials.

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84 p.

Creation Information

Pohl, P.I. August 1, 1996.

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This report is part of the collection entitled: Office of Scientific & Technical Information Technical Reports and was provided by UNT Libraries Government Documents Department to Digital Library, a digital repository hosted by the UNT Libraries. More information about this report can be viewed below.

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  • Sandia National Laboratories
    Publisher Info: Sandia National Labs., Albuquerque, NM (United States)
    Place of Publication: Albuquerque, New Mexico

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Description

This report provides a study of gases in microporous solids using molecular modeling. The theory of gas transport in porous materials as well as the molecular modeling literature is briefly reviewed. Work complete is described and analyzed with retard to the prevailing theory. The work covers two simple subjects, construction of porous solid models and diffusion of He, H{sub 2}, Ar and CH{sub 4} down a pressure gradient across the material models as in typical membrane permeation experiments. The broader objective is to enhance our capability to efficiently and accurately develop, produce and apply microporous materials.

Physical Description

84 p.

Notes

OSTI as DE96014761

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  • Other Information: PBD: Aug 1996

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  • Other: DE96014761
  • Report No.: SAND--96-2062
  • Grant Number: AC04-94AL85000
  • DOI: 10.2172/369695 | External Link
  • Office of Scientific & Technical Information Report Number: 369695
  • Archival Resource Key: ark:/67531/metadc684761

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Office of Scientific & Technical Information Technical Reports

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Creation Date

  • August 1, 1996

Added to The UNT Digital Library

  • July 25, 2015, 2:20 a.m.

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  • April 13, 2016, 3:06 p.m.

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Pohl, P.I. Molecular dynamics of gases and vapors in nanoporous solids. Final LDRD project report, report, August 1, 1996; Albuquerque, New Mexico. (digital.library.unt.edu/ark:/67531/metadc684761/: accessed September 20, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.