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Statistical theory for hydrogen bonding fluid system of A_aD_d type (I): The geometrical phase transition 被引量:6

Statistical theory for hydrogen bonding fluid system of A_aD_d type (I): The geometrical phase transition
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摘要 The influence of hydrogen bonds on the physical and chemical properties of hydrogen bonding fluid system of AaDd type is investigated from two viewpoints by the principle of statistical mechanics. In detail, we proposed two new ways that can be used to obtain the equilibrium size distribution of the hydrogen bonding clusters, and derived the analytical expression of a relationship between the hydrogen bonding free energy and hydrogen bonding degree. For the nonlinear hydrogen bonding systems, it is shown that the sol-gel phase transition can take place under proper conditions, which is further proven to be a kind of geometrical phase transition rather than a thermodynamic one. Moreover, several problems associated with the geometrical phase transition and liquid-solid phase transition in nonlinear hydrogen bonding systems are discussed. The influence of hydrogen bonds on the physical and chemical properties of hydrogen bonding fluid system of AaDd type is investigated from two viewpoints by the principle of statistical mechanics. In detail, we proposed two new ways that can be used to obtain the equilibrium size distribution of the hydrogen bonding clusters, and derived the analytical expression of a relationship between the hydrogen bonding free energy and hydrogen bonding degree. For the nonlinear hydrogen bonding systems, it is shown that the sol-gel phase transition can take place under proper conditions, which is further proven to be a kind of geometrical phase transition rather than a thermodynamic one. Moreover, several problems associated with the geometrical phase transition and liquid-solid phase transition in nonlinear hydrogen bonding systems are discussed.
出处 《Science China Chemistry》 SCIE EI CAS 2006年第6期499-506,共8页 中国科学(化学英文版)
基金 This work was supported by the National Natural Science Foundation of China (Grant Nos. 20303006 and 20574016) the Natural Science Foundation of Hebei Province (Grant Nos. B2006000959 and B2004 000093) the Natural Science Foundation of Education Committee of Hebei Province (Grant No. 2003101).
关键词 hydrogen BONDING fluid EQUILIBRIUM free energy GEOMETRICAL phase transition. hydrogen bonding fluid, equilibrium free energy, geometrical phase transition.
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