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The Rigid Adsorbent Lattice Fluid Model: Thermodynamic Consistency and Relationship to the Real Adsorbed Solution Theory
The Rigid Adsorbent Lattice Fluid model has been shown to comply with all the requirements for thermodynamic consistency in the case of an adsorbent that does not undergo structural changes. This is achieved by introducing a correction to the reduced density function that multiplies the combinatoria...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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MDPI
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9607970/ https://www.ncbi.nlm.nih.gov/pubmed/36295768 http://dx.doi.org/10.3390/membranes12101009 |
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author | Brandani, Stefano |
author_facet | Brandani, Stefano |
author_sort | Brandani, Stefano |
collection | PubMed |
description | The Rigid Adsorbent Lattice Fluid model has been shown to comply with all the requirements for thermodynamic consistency in the case of an adsorbent that does not undergo structural changes. This is achieved by introducing a correction to the reduced density function that multiplies the combinatorial term. A procedure to calculate the predicted adsorbed mixture activity coefficients has been presented that allows the production of excess Gibbs energy plots at a constant reduced grand potential. The predicted nonideality is structurally consistent with the Non-Ideal Adsorbed Solution Theory of Myers in terms of both its dependence on concentration and reduced grand potential. The ability to generate excess Gibbs energy values allows linking the new Rigid Adsorbent Lattice Fluid model to the traditional Real Adsorbed Solution Theory providing an alternative approach to predicting multicomponent adsorption based solely on pure component data. |
format | Online Article Text |
id | pubmed-9607970 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-96079702022-10-28 The Rigid Adsorbent Lattice Fluid Model: Thermodynamic Consistency and Relationship to the Real Adsorbed Solution Theory Brandani, Stefano Membranes (Basel) Article The Rigid Adsorbent Lattice Fluid model has been shown to comply with all the requirements for thermodynamic consistency in the case of an adsorbent that does not undergo structural changes. This is achieved by introducing a correction to the reduced density function that multiplies the combinatorial term. A procedure to calculate the predicted adsorbed mixture activity coefficients has been presented that allows the production of excess Gibbs energy plots at a constant reduced grand potential. The predicted nonideality is structurally consistent with the Non-Ideal Adsorbed Solution Theory of Myers in terms of both its dependence on concentration and reduced grand potential. The ability to generate excess Gibbs energy values allows linking the new Rigid Adsorbent Lattice Fluid model to the traditional Real Adsorbed Solution Theory providing an alternative approach to predicting multicomponent adsorption based solely on pure component data. MDPI 2022-10-18 /pmc/articles/PMC9607970/ /pubmed/36295768 http://dx.doi.org/10.3390/membranes12101009 Text en © 2022 by the author. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Brandani, Stefano The Rigid Adsorbent Lattice Fluid Model: Thermodynamic Consistency and Relationship to the Real Adsorbed Solution Theory |
title | The Rigid Adsorbent Lattice Fluid Model: Thermodynamic Consistency and Relationship to the Real Adsorbed Solution Theory |
title_full | The Rigid Adsorbent Lattice Fluid Model: Thermodynamic Consistency and Relationship to the Real Adsorbed Solution Theory |
title_fullStr | The Rigid Adsorbent Lattice Fluid Model: Thermodynamic Consistency and Relationship to the Real Adsorbed Solution Theory |
title_full_unstemmed | The Rigid Adsorbent Lattice Fluid Model: Thermodynamic Consistency and Relationship to the Real Adsorbed Solution Theory |
title_short | The Rigid Adsorbent Lattice Fluid Model: Thermodynamic Consistency and Relationship to the Real Adsorbed Solution Theory |
title_sort | rigid adsorbent lattice fluid model: thermodynamic consistency and relationship to the real adsorbed solution theory |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9607970/ https://www.ncbi.nlm.nih.gov/pubmed/36295768 http://dx.doi.org/10.3390/membranes12101009 |
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