几种极性有机晶体的生长习性与形成机理 Ⅲ.晶体的习性预测与实际形态的控制

Growth Habits and Mechanism of Several Polar Organic Crystals in Various Solvents Ⅲ. Prediction of Theoretical Habits and Control of Practical Morphology of a Crystal

本文从ＢＦＤＨ法则、ＰＢＣ理论和分子间作用力出发，探讨了极性有机晶体的理论习性及其预测，并和实际晶形进行了比较，一方面加深了对极性有机晶体生长机理的理解，另一方面则利用这一机理探讨了极性有机晶体的习性调制。根据极性有机晶体的结构特征即晶体分子具有特殊的排列方式，使得晶体沿极轴方向上的两个极性界面的结构不同，和晶体生长界面与溶剂分子的相互作用的差异，探讨了通过溶剂效应和习性调制剂来实现晶体生长的形态控制问题。

The theoretical habits of several polar organic crystals have been analyzed according to BFDH law and the attachment energy model (AE) in order to compare with the practical morphologies. Since polar organic crystals have a special internal structures, i.e. the different interface structures of two polar faces, which have the different interaction with solvent (tailor made) additive molecules leading to the habit modification, it is possible for us that growth habits of polar organic crystals can be controlled based on the interface solvent interactions bay choosing a suitable solvent or tailor made additive. In this paper,the theoretical habits of several polar organic crystals such as 4 nitro 4' methyl benzilidine aniline (NMBA) are predicted and the morphology controls are suggested.