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Diffusion Coefficient calculation in material properties

Posted Jan 18, 2017, 4:23 a.m. EST Chemical Reaction Engineering, Materials, Parameters, Variables, & Functions Version 5.2a 0 Replies

Liam Hartley
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I am attempting to model the diffusion of various species of gases and want to build into COMSOL an empirical model to that will be able to handle variations of temperature and pressure for a specific material. The model I am currently looking at was developed by Fuller et. al in 1966 and then adapted in 1987 by Reid et. al (see attachment). The function in question varies its input based on which molecule it is comparing; for example, in a ternary system D12 and D13 need to be calculated, meaning that MAB could be M12 or M13. The same goes for the diffusion volumes ΣvA and ΣvB which will change depending on which pair is being compared. The values computed will be then used in the Maxwell-Stefan matrix for the Transport of Concentrated species model.

Is it possible to do this via an analytical function in the materials section? Or would you recommend another work around?

Thank you for your help :)
0 Replies Last Post Jan 18, 2017, 4:23 a.m. EST
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