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Thermodynamic Properties of Gaseous Carbon Disulfide

[Image: see text] Efficient analytical representations of the thermodynamic properties for carbon disulfide remain open challenges in the communality of science and engineering. We present two analytical representations of the entropy and Gibbs free energy for gaseous carbon disulfide which we find...

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Autores principales: Chen, Xiao-Yu, Li, Ji, Jia, Chun-Sheng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2019
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6777084/
https://www.ncbi.nlm.nih.gov/pubmed/31592480
http://dx.doi.org/10.1021/acsomega.9b02303
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author Chen, Xiao-Yu
Li, Ji
Jia, Chun-Sheng
author_facet Chen, Xiao-Yu
Li, Ji
Jia, Chun-Sheng
author_sort Chen, Xiao-Yu
collection PubMed
description [Image: see text] Efficient analytical representations of the thermodynamic properties for carbon disulfide remain open challenges in the communality of science and engineering. We present two analytical representations of the entropy and Gibbs free energy for gaseous carbon disulfide which we find to be of satisfactory accuracy and convenient for future use. The proposed two analytical representations merely rely on five molecular constants of the carbon disulfide molecule and avoid applications of a large number of experimental spectroscopy data. In the temperature range from 300 to 6000 K, the average relative deviations of the predicted molar entropy and reduced Gibbs free energy values from the National Institute of Standards and Technology database are 0.250 and 0.108%, respectively.
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spelling pubmed-67770842019-10-07 Thermodynamic Properties of Gaseous Carbon Disulfide Chen, Xiao-Yu Li, Ji Jia, Chun-Sheng ACS Omega [Image: see text] Efficient analytical representations of the thermodynamic properties for carbon disulfide remain open challenges in the communality of science and engineering. We present two analytical representations of the entropy and Gibbs free energy for gaseous carbon disulfide which we find to be of satisfactory accuracy and convenient for future use. The proposed two analytical representations merely rely on five molecular constants of the carbon disulfide molecule and avoid applications of a large number of experimental spectroscopy data. In the temperature range from 300 to 6000 K, the average relative deviations of the predicted molar entropy and reduced Gibbs free energy values from the National Institute of Standards and Technology database are 0.250 and 0.108%, respectively. American Chemical Society 2019-09-19 /pmc/articles/PMC6777084/ /pubmed/31592480 http://dx.doi.org/10.1021/acsomega.9b02303 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 Chen, Xiao-Yu
Li, Ji
Jia, Chun-Sheng
Thermodynamic Properties of Gaseous Carbon Disulfide
title Thermodynamic Properties of Gaseous Carbon Disulfide
title_full Thermodynamic Properties of Gaseous Carbon Disulfide
title_fullStr Thermodynamic Properties of Gaseous Carbon Disulfide
title_full_unstemmed Thermodynamic Properties of Gaseous Carbon Disulfide
title_short Thermodynamic Properties of Gaseous Carbon Disulfide
title_sort thermodynamic properties of gaseous carbon disulfide
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6777084/
https://www.ncbi.nlm.nih.gov/pubmed/31592480
http://dx.doi.org/10.1021/acsomega.9b02303
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