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首页> 外文期刊>Thermochimica Acta: An International Journal Concerned with the Broader Aspects of Thermochemistry and Its Applications to Chemical Problems >Molecular thermodynamic model for equilibria in solution - III. Equilibrium constants and correlation functions in probability, thermodynamic, and kinetic energy space
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Molecular thermodynamic model for equilibria in solution - III. Equilibrium constants and correlation functions in probability, thermodynamic, and kinetic energy space

机译：溶液平衡的分子热力学模型-III。概率，热力学和动能空间中的平衡常数和相关函数

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摘要

The partition functions of solution thermodynamics at the macroscopic level of description correspond to typical distributions of particles at the microscopic molecular level. The partition functions can be represented in probability space which is the domain of formation constants, dilution, concentrations, probability correlation function, free-energy probability, enthalpy probability, and entropy probability. Types of ensembles, either reacting or non-reacting, yield characteristic probability diagrams. The first moment of the probability distribution belongs to thermodynamic space which is the domain of the extensive thermodynamic variables. The ratios of heat, free energy, enthalpy, entropy to thermal energy RT, as well as logarithm of activity coefficient, logarithm of probability correlation function, and logarithm of equilibrium constant can be measured in affinity thermodynamic space. The properties of the ensembles can be also represented in kinetic energy probability space which corresponds to the experimental domain of thermal dilutions, with variable {(1/[A])(T)} and in kinetic energy thermodynamic space which is the domain of absolute free energy, enthalpy and entropy, of -RTln[A], and of heat and work. (C) 1998 Elsevier Science B.V. [References: 25]
机译：在描述的宏观层面上，溶液热力学的分配函数对应于微观分子层面上颗粒的典型分布。可以在概率空间中表示分区函数，该概率空间是地层常数，稀释度，浓度，概率相关函数，自由能概率，焓概率和熵概率的域。合奏的类型（反应的或非反应的）会产生特征概率图。概率分布的第一时刻属于热力学空间，它是广泛的热力学变量的域。可以在亲和热力学空间中测量热，自由能，焓，熵与热能RT的比值，以及活度系数的对数，概率相关函数的对数和平衡常数的对数。集合的性质也可以在动能概率空间中表示，该空间对应于热稀释的实验域，具有变量{（1 / [A]）（T）}，在动能热力学空间中表示为绝对域-RTln [A]的自由能，焓和熵以及热和功。 （C）1998 Elsevier Science B.V. [参考：25]

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