Halpern Arthur M
Department of Chemistry and Physics, Indiana State University, Terre Haute, Indiana 47809 United States.
ACS Phys Chem Au. 2022 Apr 13;2(4):346-352. doi: 10.1021/acsphyschemau.2c00015. eCollection 2022 Jul 27.
The equilibrium thermochemical properties of the dimers and trimers of H and D are obtained from the equations of state (EOSs) of normal H and D. The standard dimer and trimer equilibrium constants and and Δ and Δ are reported for these weakly bound van der Waals molecules between 25 and 45 K. Statistical thermodynamics (ST) calculations of H and D 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 and D dimers and trimers are calculated from the EOS Δ values and ST calculations of the monomer entropies.
H和D的二聚体及三聚体的平衡热化学性质由正H和D的状态方程（EOSs）得出。报告了这些弱束缚范德华分子在25至45K之间的标准二聚体和三聚体平衡常数 以及Δ 和Δ 。利用从近期实验工作中获得的莫尔斯对势来考虑分子间相互作用，对H和D二聚化进行的统计热力学（ST）计算与EOS结果在定性上一致。H和D二聚体及三聚体的熵由EOS的Δ 值和单体熵的ST计算得出。
