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Thermodynamic Assessment Of The Ba-Cu-Y Ternary System. Direct Optimization Of The Miscibility Gap

机译：Ba-Cu-Y三元体系的热力学评价。直接优化混溶性差距

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Rudnyi Voronin Department; E. B. Rudnyi; G. F. Voronin;
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年度 2007
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1. Experimental measurement and thermodynamic optimization on the solidus miscibility gap of the Mo-V binary and the Mo-Nb-V ternary systems [J] . Yang Wenkui, Gao Zhikui, Li Changrong, Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics . 2021 ,第1期

机译：实验测量和热力学优化对MO-V二元和MO-NB-V三元系统的固定混溶性差距
2. A new thermodynamic approach for determining the activities from ternary miscibility gaps: the Cu-Pb-O system [J] . Zhang JY., Chou KC., Zhou TP. Calphad: Computer Coupling of Phase Diagrams and Thermochemistry . 1998 ,第3期

机译：从三元溶混间隙确定活动的新热力学方法：Cu-Pb-O系统
3. Studies on the thermodynamic and the miscibility gap of the Cu_2O-AI_2O_3-SiO_2 pseudo-ternary system [J] . Qiuguo Xiao, Gangcheng Ding, Peng Long, Materials science forum . 2011 ,第期

机译：Cu_2O-Al_2O_3-SiO_2拟三元体系的热力学和互溶隙研究。
4. Studies on the thermodynamic and the miscibility gap of the Cu_2O-AI_2O_3-SiO_2 pseudo-ternary system [C] . Qiuguo Xiao, Gangcheng Ding, Peng Long, IUMRS International Conference in Asia;IUMRS-ICA 2010 . 2011

机译：Cu_2O-Al_2O_3-SiO_2拟三元体系的热力学和混溶间隙的研究。
5. Thermodynamics and Phase Behavior of Miscible Polymer Blends in the Presence of Supercritical Carbon Dioxide. [D] . Young, Nicholas Philip. 2014

机译：在超临界二氧化碳存在下，可混溶聚合物共混物的热力学和相行为。
6. Closed-Loop Miscibility Gap and Quantitative Tie-Lines in Ternary Membranes Containing Diphytanoyl PC [O] . Sarah L. Veatch, Klaus Gawrisch, Sarah L. Keller 2006

机译：含双植烷酰基PC的三元膜中的闭环混溶间隙和定量关系线
7. The thermodynamic changes that occur upon mixing five models of formamide and three models of water, including the miscibility of these model combinations itself, is studied by performing Monte Carlo computer simulations using an appropriately chosen thermodynamic cycle and the method of thermodynamic integration. The results show that the mixing of these two components is close to the ideal mixing, as both the energy and entropy of mixing turn out to be rather close to the ideal term in the entire composition range. Concerning the energy of mixing, the OPLS/AA-mod model of formamide behaves in a qualitatively different way than the other models considered. Thus, this model results in negative, while the other ones in positive energy of mixing values in combination with all three water models considered. Experimental data supports this latter behavior. Although the Helmholtz free energy of mixing always turns out to be negative in the entire composition range, the majority of the model combinations tested either show limited miscibility, or, at least, approach the miscibility limit very closely in certain compositions. Concerning both the miscibility and the energy of mixing of these model combinations, we recommend the use of the combination of the CHARMM formamide and TIP4P water models in simulations of water-formamide mixtures. [O] . Kiss, Bálint, Fábián, Balázs, Idrissi, Abdenacer, 2017

机译：通过使用适当选择的热力学循环和热力学积分方法进行蒙特卡罗计算机模拟，研究了将五种甲酰胺模型和三种水模型混合在一起时发生的热力学变化，包括这些模型组合本身的可混溶性。结果表明这两种组分的混合接近于理想的混合，因为混合的能量和熵在整个组成范围内都非常接近理想的项。关于混合的能量，甲酰胺的OPLS / AA-mod模型与其他模型相比，在质量上有不同的表现。因此，该模型得出的结果是负的，而其他模型则综合考虑了所有三个水模型的结果的正能量。实验数据支持后一种行为。尽管混合的亥姆霍兹自由能在整个组成范围内始终为负，但大多数测试模型组合显示出有限的混溶性，或至少非常接近某些组合物的混溶性极限。关于这些模型组合的可混溶性和混合能量，我们建议在水-甲酰胺混合物的模拟中使用CHARMM甲酰胺和TIP4P水模型的组合。

Thermodynamic Assessment Of The Ba-Cu-Y Ternary System. Direct Optimization Of The Miscibility Gap

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