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Mixed Gas Diffusion Calculator
Simulates the diffusion of a gas mixture onto a metal organic framework
Launch Tool
Archive Version 1.3
Published on 04 Feb 2022
Latest version: 1.5. All versions
doi:10.21981/ZBHF-DS64 cite this
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Abstract
This tool calculates the self diffusion constant of a gas mixture through a metal organic framework (MOF). The gas mixture comprises of helium and methane and the MOF used for the simulation is IRMOF-1. A graph of the mean square displacement against time is used to obtain the slope which is then put into Einstein's equation to calculate the self diffusion constant.
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