分子热力学前沿基础研究领域中的新理论3:液体在任一温度下的汽化热理论方程

从分子热力学理论角度出发,阐明在国际科技界享有很高声誉的Watson公式和著名物理化学家Pitzer公式的不足和缺陷后,提出计算液体纯质在任一温度下汽化热的理论方程,经用各种结构类型纯质的1000个实验数据检验,平均误差0.62%,物理意义比较明确,在由近熔点至近临界点的广阔的温度范围适用性好,这三方面的事实证明是相变热研究领域中的重大突破,极显著地优于Reid,Prausnitz等长期推荐的国际相变热计算化学领域中最好的公式例如Watson式、Pitaer式、Riedel式、Vetere式。

New theory in the leading basic research of molecular dynamics 3: theoretical equation for heat of vaporization of liquid compounds at any temperature

From the point of view of molecular dynamics theory, the defects of Watson' s formula that enjoys high prestige in international sciences and technology, and the formula of famous physical chemist Pitzer were proposed, and a theoretical equation for a calculation of heat of vaporization of pure liquid substances was presented at any temperature. The average error of calculation from 1000 experimental values for all types of compounds is 0. 62%. The equation is definite in physical nature. The applicable temperature range is large from near melting point to near the critical point. The three facts have proved that this study is significant breakthrough in the research field of phase change heat. The equation is far better than one of best existing equations such as Watson' s formula, Pitzer' s formula, Riedel' s formula and Vetere' s formula. They have been recommended by Reid, Prausnitz, and so on, in the chemical calculation of phase change heat for long time.