Numerical Implementation of the Multicomponent Potential Theory of Adsorption in Python Using the NIST Refprop Database
Year: 2018
Author: Raphaël Gervais Lavoie, Mathieu Ouellet, Jean Hamelin, Pierre Bénard
Communications in Computational Physics, Vol. 23 (2018), Iss. 5 : pp. 1602–1625
Abstract
In this paper, we present a detailed numerical implementation of the multicomponent potential theory of adsorption which is among the most accurate gas mixtures adsorption models. The implementation uses the NIST Refprop database to describe fluid properties and applies to pure gases and mixtures in both subcritical and supercritical regimes. The limitations of the model and the issues encountered with its implementation are discussed. The adsorption isotherms of CH4/CO2 mixture are modeled and parameterized as implementation examples.
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Journal Article Details
Publisher Name: Global Science Press
Language: English
DOI: https://doi.org/10.4208/cicp.OA-2017-0012
Communications in Computational Physics, Vol. 23 (2018), Iss. 5 : pp. 1602–1625
Published online: 2018-01
AMS Subject Headings: Global Science Press
Copyright: COPYRIGHT: © Global Science Press
Pages: 24
Keywords: Adsorption mixture adsorption multicomponent adsorption potential theory of adsorption MPTA density functional theory.