分子热力学前沿基础研究领域中的新理论7:常沸点下液体摩尔体积理论方程

In the leading basic research of molecular thermodynamics new theory 7:semi-metal structural model of organic molecules and a theoretical equation of the liquid molar volume at the normal boiling point

从液体纯质中的微观粒子间的相互作用力方面考虑,按照作者创立的氩模型理论和有机分子的半金属结构理论中的定理定则,导出液体纯质在正常沸点下的摩尔体积Vb理论方程,给出了理论方程成立的数学证明。经以有机、无机,极性与非极性的36种纯质的实测值检验,平均误差0.47%,推广到31种结构类型128种纯质时,平均误差为0.55%,都在实验容许误差范围之内,比2001年著名文献推荐的最优秀的Vb公式(Tyn-Calus式等等)的精度高5.7倍到10.2倍,仅需知道纯质的结构式和分子量就可精确地计算出Vb来,这是从1915年以来这一科学研究领域中的重大进展与突破。

In the point of view of interacting forces among micro-particles in liquid pure substance and according to argon model and theorems and rules in semi-metal structure theory of organic molecules created by one of authors, a new theoretical equation of the liquid molar volume Vb, at the normal boiling point to pure substance is proposed. When applied to 128 pure substances including organic, inorganic, polar and nonpolar, its average error was only 0.55% and it reached high level in the range of experimental allowable error. Its accuracy is about 5.7-10.2 times as high as other methods recommended by Prausnitz in 2001. This method only requires pure substance＇ s structure formula and molecular weight to calculate accurately, directly Vb. There is an important advance and breakthrough in research field since 1915.