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Development of a reliable empirical correlation to calculate hydrogen solubility in seventeen alcoholic media

This study uses the differential evolution optimization algorithm to adjust the coefficient of Arrhenius-shape correlation for calculating hydrogen (H(2)) solubility in alcohol-based media. The pre-exponential and exponential parts of this correlation are the functions of pressure and absolute tempe...

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Autor principal: Hosseini, Saleh
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9187726/
https://www.ncbi.nlm.nih.gov/pubmed/35689030
http://dx.doi.org/10.1038/s41598-022-13720-1
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author Hosseini, Saleh
author_facet Hosseini, Saleh
author_sort Hosseini, Saleh
collection PubMed
description This study uses the differential evolution optimization algorithm to adjust the coefficient of Arrhenius-shape correlation for calculating hydrogen (H(2)) solubility in alcohol-based media. The pre-exponential and exponential parts of this correlation are the functions of pressure and absolute temperature, respectively. Since this model has been validated using seventeen alcohol/hydrogen binary mixtures, it is the most generalized correlation in this regard. The proposed Arrhenius-shape correlation predicts 285 laboratory solubility measurements with the absolute average relative deviation (AARD%) of 3.28% and regression coefficient (R(2)) of 0.99589. The accuracy of the developed model has also been compared with two empirical correlations and three equations of state suggested in the literature. The Arrhenius-shape model has 15% and 50% smaller AARD than the most accurate empirical correlation and equation of state, respectively. Simulation findings demonstrate that all alcohol/hydrogen mixtures thermodynamically behave based on Henry’s law. Hydrogen solubility in alcohols increases by increasing either pressure or temperature. 1-octanol has the maximum ability to absorb the H(2) molecules.
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spelling pubmed-91877262022-06-12 Development of a reliable empirical correlation to calculate hydrogen solubility in seventeen alcoholic media Hosseini, Saleh Sci Rep Article This study uses the differential evolution optimization algorithm to adjust the coefficient of Arrhenius-shape correlation for calculating hydrogen (H(2)) solubility in alcohol-based media. The pre-exponential and exponential parts of this correlation are the functions of pressure and absolute temperature, respectively. Since this model has been validated using seventeen alcohol/hydrogen binary mixtures, it is the most generalized correlation in this regard. The proposed Arrhenius-shape correlation predicts 285 laboratory solubility measurements with the absolute average relative deviation (AARD%) of 3.28% and regression coefficient (R(2)) of 0.99589. The accuracy of the developed model has also been compared with two empirical correlations and three equations of state suggested in the literature. The Arrhenius-shape model has 15% and 50% smaller AARD than the most accurate empirical correlation and equation of state, respectively. Simulation findings demonstrate that all alcohol/hydrogen mixtures thermodynamically behave based on Henry’s law. Hydrogen solubility in alcohols increases by increasing either pressure or temperature. 1-octanol has the maximum ability to absorb the H(2) molecules. Nature Publishing Group UK 2022-06-10 /pmc/articles/PMC9187726/ /pubmed/35689030 http://dx.doi.org/10.1038/s41598-022-13720-1 Text en © The Author(s) 2022 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Hosseini, Saleh
Development of a reliable empirical correlation to calculate hydrogen solubility in seventeen alcoholic media
title Development of a reliable empirical correlation to calculate hydrogen solubility in seventeen alcoholic media
title_full Development of a reliable empirical correlation to calculate hydrogen solubility in seventeen alcoholic media
title_fullStr Development of a reliable empirical correlation to calculate hydrogen solubility in seventeen alcoholic media
title_full_unstemmed Development of a reliable empirical correlation to calculate hydrogen solubility in seventeen alcoholic media
title_short Development of a reliable empirical correlation to calculate hydrogen solubility in seventeen alcoholic media
title_sort development of a reliable empirical correlation to calculate hydrogen solubility in seventeen alcoholic media
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9187726/
https://www.ncbi.nlm.nih.gov/pubmed/35689030
http://dx.doi.org/10.1038/s41598-022-13720-1
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