Chen Xiao-Yu, Li Ji, Jia Chun-Sheng
Petroleum Engineering School and State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation, Southwest Petroleum University, Chengdu 610500, People's Republic of China.
ACS Omega. 2019 Sep 19;4(14):16121-16124. doi: 10.1021/acsomega.9b02303. eCollection 2019 Oct 1.
Efficient analytical representations of the thermodynamic properties for carbon disulfide remain open challenges in the communality of science and engineering. We present two analytical representations of the entropy and Gibbs free energy for gaseous carbon disulfide which we find to be of satisfactory accuracy and convenient for future use. The proposed two analytical representations merely rely on five molecular constants of the carbon disulfide molecule and avoid applications of a large number of experimental spectroscopy data. In the temperature range from 300 to 6000 K, the average relative deviations of the predicted molar entropy and reduced Gibbs free energy values from the National Institute of Standards and Technology database are 0.250 and 0.108%, respectively.
二硫化碳热力学性质的高效解析表达式在科学与工程领域仍是尚未解决的挑战。我们给出了气态二硫化碳熵和吉布斯自由能的两种解析表达式，发现它们具有令人满意的准确性且便于未来使用。所提出的这两种解析表达式仅依赖于二硫化碳分子的五个分子常数，避免了大量实验光谱数据的应用。在300至6000 K的温度范围内，预测的摩尔熵和折合吉布斯自由能值与美国国家标准与技术研究院数据库相比的平均相对偏差分别为0.250%和0.108%。
