脂肪醇加和型性能与其分子结构间的定量关系

Quantitative Relation Between the Additive Property of Aliphatic Alcohol and its Molecular Structure

本文用图论方法探讨了脂肪酸的加和型性能与其分子结构之间的关系，提出一个结构基础明确的定量关系．对脂肪醇的计算结果表明，计算值十分接近实验值．应用本文定量关系，不仅能够预测脂肪醇的加和型性能，而且有助于揭示物质结构性能关系之间的奥秘．

The relationship between the additive property of aliphatic alcohol and its molecular structure is studied with the graph theory, and a quantitative relation is proposed. The results calculated show that the predicted values agree with the experimental values very well. Not only can the quantitative relation predict the additive property of aliphatic alcohol but can help to discover the secret among the structure-property relationship.