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Ruddlesden–Popper 2D Component to Stabilize γ‐CsPbI <sub/>3</sub> Perovskite Phase for Stable and Efficient Photovoltaics
摘要: In this work, a predictive nonrandom two-liquid (NRTL) equation analyzed from binary experimental data is proposed to model the solid?liquid equilibrium in the n-alkanes mixture. The predictive NRTL describes the nonideality of the ordered solid phase, whose binary interaction parameters are obtained from a correlation formula. The mathematical form of the correlation formula is summarized from the relationship between the excess Gibbs free energy and the carbon number mismatch parameter in binary mixtures. The coe?cients of the correlation formula are regressed from binary experimental data. With this model, it is possible to provide ordered-rotator solid transition phase diagrams with complete or partial miscibility. The crystallization behaviors of nine mixtures are also used to test the model, indicating adequate accuracy. Furthermore, the predictive NRTL can predict potential multiple solid solutions, whose number is changeable with the n-alkanes range of the feed, and the concentration of each solid solution is a normal distribution.
关键词: binary interaction parameters,predictive NRTL,multiple solid solutions,n-alkanes,solid?liquid equilibrium
更新于2025-09-19 17:13:59