Mixed Gas Adsorption Calculator

By Julian C Umeh1; Thomas A Manz1

1. New Mexico State University

This tool calculated the average adsorption of a gas mixture

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Version 1.4 - published on 12 Sep 2022

doi:10.21981/8J5R-5B56 cite this

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Tools

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Abstract

This tool calculated the average absolute adsorption and the average excess adsorption of argon and methane gas mixtures at different mole fractions of argon ranging from 0.1 to 0.9. The simulation can be run at different temperatures and pressures.

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RASPA

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National Science Foundation (NSF)

Publications

Julian Umeh, Development of Simulation Tools on Nanohub as Learning Modules, Master Thesis, New Mexico State University, Las Cruces, New Mexico, December 2019. Major professor: Thomas Manz.

Cite this work

Researchers should cite this work as follows:

  • Julian C Umeh, Thomas A Manz (2022), "Mixed Gas Adsorption Calculator," https://nanohub.org/resources/mixedgasads. (DOI: 10.21981/8J5R-5B56).

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Tags

  1. Adsorption
  2. force fields
  3. gas adsorption
  4. metal organic frameworks (MOFs)
  5. mixed gas adsorption
  6. Monte Carlo
  7. RASPA