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为了描述基团间的相互作用 ,建立了四维基团溶解度参数体系。这 4维参数包括色散参数、极性参数、得电子参数和供电子参数 ,它们分别对应于基团的色散、极性和氢键(得电子和供电子 )作用。在此基础上定义了类溶解度参数 ,并给出了由基团溶解度参数求取类溶解度参数的计算式。利用类溶解度参数和溶解度参数之间的良好线性相关性 ,获得了根据分子的基团结构来估算溶解度参数的新方法。对于常见的各类单官能团有机物 ,这种估算的平均相对偏差在 3 %以内
In order to describe the interaction between groups, a four-dimensional group solubility parameter system was established. These 4-dimensional parameters include the dispersion parameter, the polarity parameter, the electronic parameter and the electron donor parameter, which correspond to the dispersion, polarity and hydrogen bonding (electron and electron donating) of the group, respectively. On the basis of this, the class solubility parameters are defined, and the formulas for calculating the class solubility parameters from the group solubility parameters are given. Using the good linear correlation between the solubility parameter and the solubility parameter, a new method to estimate the solubility parameter based on the molecular structure of the molecule was obtained. For the common types of monofunctional organics, the average relative deviation of this estimate is within 3%