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通过两种不同的统计方法研究了AaDd型氢键体系中的氢键对体系的一些物理化学特征的影响.指出获得氢键簇合物数量分布函数的两种新方法,得到该体系的平衡自由能以及氢键度与外界条件之间关系的解析表达式,讨论了氢键的成键概率与相关热力学量的关系.在平均场理论的框架下,证明了非线性氢键体系中发生的溶胶-凝胶相转变是一类几何相变,而非热力学相变.进一步对氢键体系中此类几何相变与液-固热力学相变间的关系进行了初步探讨.
Two different statistical methods were used to investigate the effect of hydrogen bonds in the AaDd hydrogen bond system on some physicochemical characteristics of the system. Two new methods for obtaining the number distribution function of hydrogen-bonded cluster compounds are pointed out. The equilibrium free energy and the analytical expression of the relationship between the hydrogen bonding degree and the external conditions are obtained. The bonding probability and the related thermodynamic quantities Relationship. In the framework of the average field theory, it is proved that the sol-gel phase transition in the nonlinear hydrogen bonding system is a kind of geometric phase transition, rather than the thermodynamic phase transition. Further, the relationship between such geometric phase transitions and the liquid-solid thermodynamic phase transitions in the hydrogen bond system is also discussed.