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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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Autor principal: Halpern, Arthur M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
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.
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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.
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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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