直链烷烃结构型和凝聚型性质的递变规律研究

Regularities for Structural-type and Condensed-type Propenies of Homologous Straight-chain Alkanes

用图示法和非线性规划的方法对直链烷烃同系物最高成键分子轨道能级、最低成键分子轨道能级，电离电位、氧化半波电位、正常沸点、正常熔点、临界压力、临界温度、密度、折光率、表面张力和粘度等１２种结构型性质和凝聚型性质的变化规律进行研究，结果发现直链烷烃结构型性质和凝聚型性质一般能遵守同系对数递变规律，各种结构型性能和凝聚型性能均与对数递变函数是优良的相关性，相关系数均大于０．９９。用同系对数速变规律对直链烷烃各种性能进行预测的结果表明，除少数同系列起始化合物的偏差较大外，大多数预测值与实验值非常吻合，实验散点几乎与对数违变函数曲线相重合。

With the graphic method and nolinear programming, twelve structural-type properties and condensed-type properties of homologous straight-chain alkanes, such as the highest bonded molecualr orbital energy, the lowest bonded molecular orbital energy, ionization energy, half-wave potential of oxidation, normal boiling point, normal melting point, critical pressure, critical temperature, density, refractance, surface tension and vicosity, have been developed. The results show that strutural-type properties and condensed-type properties of straight-chain alkanes generally obey the homologous logarithm regularities, and various structural-type properties and condensed-type properties are very well correlated with logarithmic function, and correlation coefficients all more than 0.99. Using homologous logarithm regularities, various properties of homologous straight-chain alkanes are predicted, and the findings indicate that most of the predicted values correspond very much to the values in literature except that deviations for minority of beginning compounds are not ideal, and experimental points almost overlap on the curves drawn by the logarithmic functions.