The modified shifted Morse potential is a molecular potential that describes the molecular vibration and atomic interaction. This potential has not received much report as one of the useful potential function. In this study, the molar entropy of a modified shifted Morse is obtained via the vibrational partition function, rotational partition function and translational partition function. Numerical results are obtained for iodine molecule (I), silicon carbide (SiC), carbon phosphide (CP) and fluorine molecule (F) for temperatures of 200 K to 6000 K. The predicted results are compared with the experimental results obtained from the National Institute of Standards and Technology (NIST) data base. The predicted values aligned with the experimental results for the four molecules. The average absolute percentage deviation obtained for each molecule is less than one, which shows a good representation of the modified shifted Morse potential for thermodynamic functions.

中文翻译：

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气体分子修正莫尔斯电势摩尔熵的理论预测

修正的莫尔斯位移势是描述分子振动和原子相互作用的分子势。这种势作为有用的势函数之一并没有得到太多报道。在本研究中，通过振动配分函数、旋转配分函数和平移配分函数获得了修正的移位莫尔斯的摩尔熵。获得了碘分子 (I)、碳化硅 (SiC)、磷化碳 (CP) 和氟分子 (F) 在 200 K 至 6000 K 温度范围内的数值结果。将预测结果与国家实验室的实验结果进行了比较。标准与技术研究所 (NIST) 数据库。预测值与四种分子的实验结果一致。每个分子获得的平均绝对百分比偏差小于 1，这很好地代表了热力学函数的修正莫尔斯电势。