解理论中的非广延局部复合模型
Nonextensive local composition models in theories of solutions
摘要：
热力学模型提出了基于玻尔兹曼权重的二元相互作用参数。从实验数据的离散导致经验考虑的参数的温度依赖性，但这些修改保持不变的指数性质的方程。我们取代玻尔兹曼重量的非广泛的Tsallis重量，并推广三种模型的非电解质溶液，使用当地的组成假设，即威尔逊的，NRTL，和UNIQUAC模型。所提出的推广提出了一个非指数依赖于温度，并依赖于非广延统计力学的理论基础。$q$ -模型提出了一个额外的二元参数$q_{ij}$，在极限$q_{ij} \to 1$中恢复原始情况。与实验数据的比较，说明了与两个例子的活性系数的乙醇，无限稀释在甲苯中，并在癸烷。
英文摘要：
Thermodynamic models present binary interaction parameters, based on the Boltzmann weight. Discrepancies from experimental data lead to empirically consider temperature dependence of the parameters, but these modifications keep unchanged the exponential nature of the equations. We replace the Boltzmann weight by the nonextensive Tsallis weight, and generalize three models for nonelectrolyte solutions that use the local composition hypothesis, namely Wilson's, NRTL, and UNIQUAC models. The proposed generalizations present a nonexponential dependence on the temperature, and relies on a theoretical basis of nonextensive statistical mechanics. The $q$-models present one extra binary parameter $q_{ij}$, that recover the original cases in the limit $q_{ij} \to 1$. Comparison with experimental data is illustrated with two examples of the activity coefficient of ethanol, infinitely diluted in toluene, and in decane.
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