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Research of a Thermodynamic Function [Formula: see text]: Temperature Dependence and Relation to Properties at Infinite Dilution

In this work, we propose the idea of considering [Formula: see text] as an infinite dilution thermodynamic function. Our research shows that [Formula: see text] as a thermodynamic function is closely related to temperature, with the relation being simply expressed as: [Formula: see text]. Then, we u...

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Autores principales: Zheng, Jiahuan, Chen, Xia, Wang, Yan, Sun, Qichao, Sun, Wenting, Wu, Lianying, Hu, Yangdong, Zhang, Weitao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9656998/
https://www.ncbi.nlm.nih.gov/pubmed/36361801
http://dx.doi.org/10.3390/ijms232112998
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author Zheng, Jiahuan
Chen, Xia
Wang, Yan
Sun, Qichao
Sun, Wenting
Wu, Lianying
Hu, Yangdong
Zhang, Weitao
author_facet Zheng, Jiahuan
Chen, Xia
Wang, Yan
Sun, Qichao
Sun, Wenting
Wu, Lianying
Hu, Yangdong
Zhang, Weitao
author_sort Zheng, Jiahuan
collection PubMed
description In this work, we propose the idea of considering [Formula: see text] as an infinite dilution thermodynamic function. Our research shows that [Formula: see text] as a thermodynamic function is closely related to temperature, with the relation being simply expressed as: [Formula: see text]. Then, we use this equation to correlate the isothermal vapor–liquid equilibrium (VLE) data for 40 systems. The result shows that the total average relative deviation is 0.15%, and the total average absolute deviation is 3.12%. It indicates that the model correlates well with the experimental data. Moreover, we start from the total pressure expression, and use the Gibbs–Duhem equation to re-derive the relationship between [Formula: see text] and the infinite dilution activity coefficient ([Formula: see text]) at low pressure. Based on the definition of partial molar volume, an equation for [Formula: see text] and gas solubility at high pressure is proposed in our work. Then, we use this equation to correlate the literature data on the solubility of nitrogen, hydrogen, methane, and carbon dioxide in water. These systems are reported at temperatures ranging from 273.15 K to 398.15 K and pressures up to 101.325 MPa. The total average relative deviation of the predicted values with respect to the experimental data is 0.08%, and the total average absolute deviation is 2.68%. Compared with the Krichevsky–Kasarnovsky equation, the developed model provides more reliable results.
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spelling pubmed-96569982022-11-15 Research of a Thermodynamic Function [Formula: see text]: Temperature Dependence and Relation to Properties at Infinite Dilution Zheng, Jiahuan Chen, Xia Wang, Yan Sun, Qichao Sun, Wenting Wu, Lianying Hu, Yangdong Zhang, Weitao Int J Mol Sci Article In this work, we propose the idea of considering [Formula: see text] as an infinite dilution thermodynamic function. Our research shows that [Formula: see text] as a thermodynamic function is closely related to temperature, with the relation being simply expressed as: [Formula: see text]. Then, we use this equation to correlate the isothermal vapor–liquid equilibrium (VLE) data for 40 systems. The result shows that the total average relative deviation is 0.15%, and the total average absolute deviation is 3.12%. It indicates that the model correlates well with the experimental data. Moreover, we start from the total pressure expression, and use the Gibbs–Duhem equation to re-derive the relationship between [Formula: see text] and the infinite dilution activity coefficient ([Formula: see text]) at low pressure. Based on the definition of partial molar volume, an equation for [Formula: see text] and gas solubility at high pressure is proposed in our work. Then, we use this equation to correlate the literature data on the solubility of nitrogen, hydrogen, methane, and carbon dioxide in water. These systems are reported at temperatures ranging from 273.15 K to 398.15 K and pressures up to 101.325 MPa. The total average relative deviation of the predicted values with respect to the experimental data is 0.08%, and the total average absolute deviation is 2.68%. Compared with the Krichevsky–Kasarnovsky equation, the developed model provides more reliable results. MDPI 2022-10-27 /pmc/articles/PMC9656998/ /pubmed/36361801 http://dx.doi.org/10.3390/ijms232112998 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
Zheng, Jiahuan
Chen, Xia
Wang, Yan
Sun, Qichao
Sun, Wenting
Wu, Lianying
Hu, Yangdong
Zhang, Weitao
Research of a Thermodynamic Function [Formula: see text]: Temperature Dependence and Relation to Properties at Infinite Dilution
title Research of a Thermodynamic Function [Formula: see text]: Temperature Dependence and Relation to Properties at Infinite Dilution
title_full Research of a Thermodynamic Function [Formula: see text]: Temperature Dependence and Relation to Properties at Infinite Dilution
title_fullStr Research of a Thermodynamic Function [Formula: see text]: Temperature Dependence and Relation to Properties at Infinite Dilution
title_full_unstemmed Research of a Thermodynamic Function [Formula: see text]: Temperature Dependence and Relation to Properties at Infinite Dilution
title_short Research of a Thermodynamic Function [Formula: see text]: Temperature Dependence and Relation to Properties at Infinite Dilution
title_sort research of a thermodynamic function [formula: see text]: temperature dependence and relation to properties at infinite dilution
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9656998/
https://www.ncbi.nlm.nih.gov/pubmed/36361801
http://dx.doi.org/10.3390/ijms232112998
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