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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...

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Autores principales: Tsivintzelis, Ioannis, Koutsou, Georgios, Kontogeorgis, Georgios M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
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.
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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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