化学
二聚体
离解(化学)
振动
谐振子
莫尔斯势
原子物理学
分子
热力学
标准摩尔熵
摩尔比
熵(时间箭头)
物理化学
计算化学
物理
量子力学
有机化学
标准生成焓
催化作用
作者
Chun‐Sheng Jia,Ran Zeng,Xiaolong Peng,Liehui Zhang,Yulong Zhao
标识
DOI:10.1016/j.ces.2018.06.009
摘要
Based on the improved Rosen-Morse oscillator for describing the internal vibration of a molecule, we establish an explicit representation of molar entropy for gaseous substances. Using the dissociation energy, equilibrium internuclear distance and harmonic vibrational frequency, we calculate the molar entropy values of the gaseous phosphorus dimer. Our calculated results show an excellent agreement compared to the experimental data in a wide variety of temperatures ranging from 298 up to 6000 K.
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