正脂肪酸的燃烧热和生成热与分子结构的关系

本文用图论方法探讨了正脂肪酸的燃烧热和生成热与分子结构的关系,提出一个结构基础明确的定量关系。结果表明,燃烧热和生成热计算值与实验值的一致性令人满意。应用本文定量关系,不仅能够预测正脂肪酸的燃烧热和生成热,而且可以合理表征物质结构与性能之间的关系。

Relationship Between the Heat of Combustion, Heat of Formation of Normal Aliphatic Acid and Its Molecular Structure

An approach based on the graph theory is used to study the relationship between the heat of combustion, heat of formation of normal aliphatic acid and its molecular structure, and a quantitative relation is developed which can be used to predict the heats of combustion and heats of formation. The results caculated show that the predicted values agree with the experimental values satisfactorily, and the average relative deviations are 0. 02% and 0. 11% respectively for the heats of combustion and heats of formation. With the quantitative relation developed in this paper, it is helpful to characterize the structure -property relationship of matter.