Radial Distribution Function Calculator

By Julian C Umeh1; Thomas A Manz1

1. New Mexico State University

This tools calculates the radial distribution function of gas molecules

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Version 1.5 - published on 10 Aug 2022

doi:10.21981/1210-HP73 cite this

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Tools

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Abstract

This tool calculates the radial distribution function (RDF) as well as the self diffusivity and density of different gas molecules including; methane, ethane, propane, butane, nitrogen and carbon dioxide.

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RASPA

Sponsored by

National Science Foundation (NSF)

Cite this work

Researchers should cite this work as follows:

  • Julian C Umeh, Thomas A Manz (2022), "Radial Distribution Function Calculator," https://nanohub.org/resources/rdf. (DOI: 10.21981/1210-HP73).

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Tags

  1. diffusion
  2. molecular dynamics (MD)
  3. nanoporous
  4. radial distribution function
  5. RASPA