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Equilibrium Thermodynamics of the Dimers and Trimers of H(2) and D(2) and Their Heterodimer (H(2))(D(2))
[Image: see text] The equilibrium thermochemical properties of the dimers and trimers of H(2) and D(2) are obtained from the equations of state (EOSs) of normal H(2) and D(2). The standard dimer and trimer equilibrium constants K(D)(o) and K(T)(o) and ΔH(D, T)(o) and ΔS(D, T)(o) are reported for the...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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American Chemical Society
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9955217/ https://www.ncbi.nlm.nih.gov/pubmed/36855419 http://dx.doi.org/10.1021/acsphyschemau.2c00015 |
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author | Halpern, Arthur M. |
author_facet | Halpern, Arthur M. |
author_sort | Halpern, Arthur M. |
collection | PubMed |
description | [Image: see text] The equilibrium thermochemical properties of the dimers and trimers of H(2) and D(2) are obtained from the equations of state (EOSs) of normal H(2) and D(2). The standard dimer and trimer equilibrium constants K(D)(o) and K(T)(o) and ΔH(D, T)(o) and ΔS(D, T)(o) are reported for these weakly bound van der Waals molecules between 25 and 45 K. Statistical thermodynamics (ST) calculations of H(2) and D(2) dimerization using Morse pair potentials to account for intermolecular interactions, obtained from recent experimental work, are in qualitative agreement with the EOS results. The entropies of the H(2) and D(2) dimers and trimers are calculated from the EOS ΔS(o) values and ST calculations of the monomer entropies. |
format | Online Article Text |
id | pubmed-9955217 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-99552172023-02-27 Equilibrium Thermodynamics of the Dimers and Trimers of H(2) and D(2) and Their Heterodimer (H(2))(D(2)) Halpern, Arthur M. ACS Phys Chem Au [Image: see text] The equilibrium thermochemical properties of the dimers and trimers of H(2) and D(2) are obtained from the equations of state (EOSs) of normal H(2) and D(2). The standard dimer and trimer equilibrium constants K(D)(o) and K(T)(o) and ΔH(D, T)(o) and ΔS(D, T)(o) are reported for these weakly bound van der Waals molecules between 25 and 45 K. Statistical thermodynamics (ST) calculations of H(2) and D(2) dimerization using Morse pair potentials to account for intermolecular interactions, obtained from recent experimental work, are in qualitative agreement with the EOS results. The entropies of the H(2) and D(2) dimers and trimers are calculated from the EOS ΔS(o) values and ST calculations of the monomer entropies. American Chemical Society 2022-04-13 /pmc/articles/PMC9955217/ /pubmed/36855419 http://dx.doi.org/10.1021/acsphyschemau.2c00015 Text en © 2022 The Author. Published by American Chemical Society https://creativecommons.org/licenses/by-nc-nd/4.0/Permits non-commercial access and re-use, provided that author attribution and integrity are maintained; but does not permit creation of adaptations or other derivative works (https://creativecommons.org/licenses/by-nc-nd/4.0/). |
spellingShingle | Halpern, Arthur M. Equilibrium Thermodynamics of the Dimers and Trimers of H(2) and D(2) and Their Heterodimer (H(2))(D(2)) |
title | Equilibrium Thermodynamics of the Dimers and Trimers
of H(2) and D(2) and Their Heterodimer (H(2))(D(2)) |
title_full | Equilibrium Thermodynamics of the Dimers and Trimers
of H(2) and D(2) and Their Heterodimer (H(2))(D(2)) |
title_fullStr | Equilibrium Thermodynamics of the Dimers and Trimers
of H(2) and D(2) and Their Heterodimer (H(2))(D(2)) |
title_full_unstemmed | Equilibrium Thermodynamics of the Dimers and Trimers
of H(2) and D(2) and Their Heterodimer (H(2))(D(2)) |
title_short | Equilibrium Thermodynamics of the Dimers and Trimers
of H(2) and D(2) and Their Heterodimer (H(2))(D(2)) |
title_sort | equilibrium thermodynamics of the dimers and trimers
of h(2) and d(2) and their heterodimer (h(2))(d(2)) |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9955217/ https://www.ncbi.nlm.nih.gov/pubmed/36855419 http://dx.doi.org/10.1021/acsphyschemau.2c00015 |
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