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对链状分子体系用微扰理论建立了理论模型。将链状分子按基团性质的不同划分为不同的链节，链节的参数用直径、能量参数、极化率、偶极矩和四极矩来表达，以区分同一分子内不同的链节。拟合了ｎ－Ｃ４Ｈ９ＯＨ～ｎ－Ｃ８Ｈ１７ＯＨ共５个正一元醇和Ｃ２Ｈ６～ｎ－Ｃ２７Ｈ５６共２６个正烷烃的汽液平衡数据，获得了３个链节：ＣＨ３、ＣＨ２和ＯＨ的共９个参数。饱和汽相密度拟合的总平均相对偏差是２．４％。用这些参数预测了以上物质的饱和液相密度，预测的总平均相对偏差是８．４％。所有参数在不同体系中维持不变。
A theoretical model is established for perturbed molecular systems using perturbation theory. Chain molecules according to the nature of the group is divided into different chain links, chain link parameters with diameter, energy parameters, polarizability, dipole moment and quadrupole moment to express, in order to distinguish different chain links within the same molecule . A total of 26 n-alkanes from n-C4H9OH to n-C8H17OH and 26 n-alkanes from C2H6 to n-C27H56 were fitted to the vapor-liquid equilibrium data. Three parameters of CH3, CH2 and OH were obtained. The total average relative deviation of the saturated vapor density fitting is 2.4%. Using these parameters to predict the saturated liquid phase density of the above substances, the predicted overall average relative deviation is 8.4%. All parameters remain unchanged in different systems.