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Predictions of Entropy and Gibbs Energy for Carbonyl Sulfide

[Image: see text] Many chemical and physical equilibrium conditions can be determined from minimizing the Gibbs free energies of the system. Efficient analytical representations of the entropy and Gibbs free energy of carbonyl sulfide remain elusive in the communality of science and engineering. Her...

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Autores principales: Jia, Chun-Sheng, Wang, Yi-Ting, Wei, Lin-Sheng, Wang, Chao-Wen, Peng, Xiao-Long, Zhang, Lie-Hui
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6882136/
https://www.ncbi.nlm.nih.gov/pubmed/31788634
http://dx.doi.org/10.1021/acsomega.9b02950
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author Jia, Chun-Sheng
Wang, Yi-Ting
Wei, Lin-Sheng
Wang, Chao-Wen
Peng, Xiao-Long
Zhang, Lie-Hui
author_facet Jia, Chun-Sheng
Wang, Yi-Ting
Wei, Lin-Sheng
Wang, Chao-Wen
Peng, Xiao-Long
Zhang, Lie-Hui
author_sort Jia, Chun-Sheng
collection PubMed
description [Image: see text] Many chemical and physical equilibrium conditions can be determined from minimizing the Gibbs free energies of the system. Efficient analytical representations of the entropy and Gibbs free energy of carbonyl sulfide remain elusive in the communality of science and engineering. Here, we report two analytical representations of the entropy and Gibbs free energy for carbonyl sulfide, and the prediction procedures only involve six molecular constants of the carbonyl sulfide molecule. In the temperature range from 300 to 6000 K, the average relative deviations of the predicted molar entropy and reduced Gibbs free energy values of carbonyl sulfide from the National Institute of Standards and Technology database are arrived at 0.150 and 0.189%, respectively.
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spelling pubmed-68821362019-11-29 Predictions of Entropy and Gibbs Energy for Carbonyl Sulfide Jia, Chun-Sheng Wang, Yi-Ting Wei, Lin-Sheng Wang, Chao-Wen Peng, Xiao-Long Zhang, Lie-Hui ACS Omega [Image: see text] Many chemical and physical equilibrium conditions can be determined from minimizing the Gibbs free energies of the system. Efficient analytical representations of the entropy and Gibbs free energy of carbonyl sulfide remain elusive in the communality of science and engineering. Here, we report two analytical representations of the entropy and Gibbs free energy for carbonyl sulfide, and the prediction procedures only involve six molecular constants of the carbonyl sulfide molecule. In the temperature range from 300 to 6000 K, the average relative deviations of the predicted molar entropy and reduced Gibbs free energy values of carbonyl sulfide from the National Institute of Standards and Technology database are arrived at 0.150 and 0.189%, respectively. American Chemical Society 2019-11-14 /pmc/articles/PMC6882136/ /pubmed/31788634 http://dx.doi.org/10.1021/acsomega.9b02950 Text en Copyright © 2019 American Chemical Society This is an open access article published under an ACS AuthorChoice License (http://pubs.acs.org/page/policy/authorchoice_termsofuse.html) , which permits copying and redistribution of the article or any adaptations for non-commercial purposes.
spellingShingle Jia, Chun-Sheng
Wang, Yi-Ting
Wei, Lin-Sheng
Wang, Chao-Wen
Peng, Xiao-Long
Zhang, Lie-Hui
Predictions of Entropy and Gibbs Energy for Carbonyl Sulfide
title Predictions of Entropy and Gibbs Energy for Carbonyl Sulfide
title_full Predictions of Entropy and Gibbs Energy for Carbonyl Sulfide
title_fullStr Predictions of Entropy and Gibbs Energy for Carbonyl Sulfide
title_full_unstemmed Predictions of Entropy and Gibbs Energy for Carbonyl Sulfide
title_short Predictions of Entropy and Gibbs Energy for Carbonyl Sulfide
title_sort predictions of entropy and gibbs energy for carbonyl sulfide
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6882136/
https://www.ncbi.nlm.nih.gov/pubmed/31788634
http://dx.doi.org/10.1021/acsomega.9b02950
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