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Thermodynamics and kinetics of nucleation in binary solutions
Chemical Physics ( IF 2.0 ) Pub Date : 2018-10-11 , DOI: 10.1016/j.chemphys.2018.10.001
Nikolay V. Alekseechkin

A new approach that is a combination of classical thermodynamics and macroscopic kinetics is offered for studying the nucleation kinetics in condensed binary solutions. The theory covers the separation of liquid and solid solutions proceeding along the nucleation mechanism, as well as liquid-solid transformations, e.g., the crystallization of molten alloys. The cases of nucleation of both unary and binary precipitates are considered. Equations of equilibrium for a critical nucleus are derived and then employed in the macroscopic equations of nucleus growth; the steady state nucleation rate is calculated with the use of these equations. The present approach can be applied to the general case of non-ideal solution; the calculations are performed on the model of regular solution within the classical nucleation theory (CNT) approximation implying the bulk properties of a nucleus and constant surface tension. The way of extending the theory beyond the CNT approximation is shown in the framework of the finite-thickness layer method. From equations of equilibrium of a surface layer with coexisting bulk phases, equations for adsorption and the dependences of surface tension on temperature, radius, and composition are derived. Surface effects on the thermodynamics and kinetics of nucleation are discussed.



中文翻译:

二元溶液中成核的热力学和动力学

提供了一种将经典热力学和宏观动力学相结合的新方法,用于研究凝聚二元溶液中的成核动力学。该理论涵盖了沿成核机理进行的液体和固体溶液的分离,以及液-固转变,例如,熔融合金的结晶。考虑一元和二元沉淀物成核的情况。导出关键核的平衡方程,然后将其用于原子核增长的宏观方程中。使用这些方程式可以计算出稳态成核速率。本方法可以应用于非理想解决方案的一般情况。计算是在经典成核理论(CNT)近似中的正则溶液模型上执行的,这暗示了核的整体性质和恒定的表面张力。在有限厚度层方法的框架中显示了将理论扩展到CNT近似之外的方式。从具有共存本体相的表面层的平衡方程式中,得出吸附方程式以及表面张力对温度,半径和组成的依赖性。讨论了表面对成核的热力学和动力学的影响。得出吸附方程以及表面张力对温度,半径和组成的依赖性。讨论了表面对成核的热力学和动力学的影响。得出吸附方程以及表面张力对温度,半径和组成的依赖性。讨论了表面对成核的热力学和动力学的影响。

更新日期:2018-10-12
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