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Modeling Binary and Multicomponent Systems Containing Supercritical CO(2) with Polyethylene Glycols and Compounds Relevant to the Biodiesel Production
The CPA equation of state is applied to model binary, ternary, and multicomponent mixtures that contain CO(2) with polyethylene glycols or compounds relevant to biodiesel production, such as glycerol and various triglycerides. Effort has been made to evaluate the model performance on correlating bot...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9506037/ https://www.ncbi.nlm.nih.gov/pubmed/36144520 http://dx.doi.org/10.3390/molecules27185785 |
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author | Tsivintzelis, Ioannis Koutsou, Georgios Kontogeorgis, Georgios M. |
author_facet | Tsivintzelis, Ioannis Koutsou, Georgios Kontogeorgis, Georgios M. |
author_sort | Tsivintzelis, Ioannis |
collection | PubMed |
description | The CPA equation of state is applied to model binary, ternary, and multicomponent mixtures that contain CO(2) with polyethylene glycols or compounds relevant to biodiesel production, such as glycerol and various triglycerides. Effort has been made to evaluate the model performance on correlating both the liquid and the vapor phase compositions, which is a demanding task, revealing the model’s and parameters’ limitations, due to the rather low concentrations of heavy compounds in the vapor phase. Initially the model’s binary parameters, which in all cases were temperature independent, were estimated using experimental data for binary systems. Those parameters were used to predict the phase behavior of supercritical CO(2) containing ternary and multicomponent mixtures. Since no parameter was adjusted to ternary or multicomponent systems’ data, the reported CPA results for such mixtures are considered as pure predictions. This is the final part of a series of studies [Tsivintzelis et al. Fluid Phase Equilibria 430 (2016) 75–92 and 504 (2020) 112337] that complete the parameterization of the CPA equation of state for systems relevant to the biodiesel production, which allows the application of the model to multicomponent mixtures of the relevant processes. |
format | Online Article Text |
id | pubmed-9506037 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-95060372022-09-24 Modeling Binary and Multicomponent Systems Containing Supercritical CO(2) with Polyethylene Glycols and Compounds Relevant to the Biodiesel Production Tsivintzelis, Ioannis Koutsou, Georgios Kontogeorgis, Georgios M. Molecules Article The CPA equation of state is applied to model binary, ternary, and multicomponent mixtures that contain CO(2) with polyethylene glycols or compounds relevant to biodiesel production, such as glycerol and various triglycerides. Effort has been made to evaluate the model performance on correlating both the liquid and the vapor phase compositions, which is a demanding task, revealing the model’s and parameters’ limitations, due to the rather low concentrations of heavy compounds in the vapor phase. Initially the model’s binary parameters, which in all cases were temperature independent, were estimated using experimental data for binary systems. Those parameters were used to predict the phase behavior of supercritical CO(2) containing ternary and multicomponent mixtures. Since no parameter was adjusted to ternary or multicomponent systems’ data, the reported CPA results for such mixtures are considered as pure predictions. This is the final part of a series of studies [Tsivintzelis et al. Fluid Phase Equilibria 430 (2016) 75–92 and 504 (2020) 112337] that complete the parameterization of the CPA equation of state for systems relevant to the biodiesel production, which allows the application of the model to multicomponent mixtures of the relevant processes. MDPI 2022-09-07 /pmc/articles/PMC9506037/ /pubmed/36144520 http://dx.doi.org/10.3390/molecules27185785 Text en © 2022 by the authors. 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 Tsivintzelis, Ioannis Koutsou, Georgios Kontogeorgis, Georgios M. Modeling Binary and Multicomponent Systems Containing Supercritical CO(2) with Polyethylene Glycols and Compounds Relevant to the Biodiesel Production |
title | Modeling Binary and Multicomponent Systems Containing Supercritical CO(2) with Polyethylene Glycols and Compounds Relevant to the Biodiesel Production |
title_full | Modeling Binary and Multicomponent Systems Containing Supercritical CO(2) with Polyethylene Glycols and Compounds Relevant to the Biodiesel Production |
title_fullStr | Modeling Binary and Multicomponent Systems Containing Supercritical CO(2) with Polyethylene Glycols and Compounds Relevant to the Biodiesel Production |
title_full_unstemmed | Modeling Binary and Multicomponent Systems Containing Supercritical CO(2) with Polyethylene Glycols and Compounds Relevant to the Biodiesel Production |
title_short | Modeling Binary and Multicomponent Systems Containing Supercritical CO(2) with Polyethylene Glycols and Compounds Relevant to the Biodiesel Production |
title_sort | modeling binary and multicomponent systems containing supercritical co(2) with polyethylene glycols and compounds relevant to the biodiesel production |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9506037/ https://www.ncbi.nlm.nih.gov/pubmed/36144520 http://dx.doi.org/10.3390/molecules27185785 |
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