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.
You do not have full access to this article.
Already a Subscriber? Sign in as an individual or via your institution
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.
Author Details
-
Perspectives on Adsorption. What else? A personal view
Rodrigues, Alírio E.
Fluid Phase Equilibria, Vol. 564 (2023), Iss. P.113614
https://doi.org/10.1016/j.fluid.2022.113614 [Citations: 3] -
Decoupled multicomponent potential theory of adsorption of gas mixtures
Gervais Lavoie, Raphaël | Hamelin, Jean | Bénard, PierreSN Applied Sciences, Vol. 2 (2020), Iss. 12
https://doi.org/10.1007/s42452-020-03860-2 [Citations: 1] -
Molecular Insight into the Occurrence Characteristics of Deep Oil with Associated Gas Methane and the Displacement Resistance in Water Flooding in Nano-Pore Throat
Zhou, Lixia | Wang, Weiming | Yan, Youguo | Zhao, Chengen | Zhong, Jiahao | Liu, YuqiProcesses, Vol. 11 (2023), Iss. 9 P.2529
https://doi.org/10.3390/pr11092529 [Citations: 0] -
Adapted thermodynamical model for the prediction of adsorption in nanoporous materials
Stavarache, Flavian | Luna-Triguero, Azahara | Calero, Sofía | Vicent-Luna, José ManuelChemical Engineering Journal, Vol. 496 (2024), Iss. P.153480
https://doi.org/10.1016/j.cej.2024.153480 [Citations: 0] -
A set of Jupyter notebooks for the analysis of transport phenomena and reaction in porous catalyst pellet
Golman, Boris
Computer Applications in Engineering Education, Vol. 27 (2019), Iss. 3 P.531
https://doi.org/10.1002/cae.22095 [Citations: 9] -
A mechanistic model for multi-scale sorption dynamics in shale
Singh, Harpreet | Cai, JianchaoFuel, Vol. 234 (2018), Iss. P.996
https://doi.org/10.1016/j.fuel.2018.07.104 [Citations: 35]