Azeotrope-Breaking Potential of Binary Mixtures in Phase Equilibria Modeling

S. Artemenko, V. Mazur
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Abstract

Global phase diagrams (GPD) of binary mixtures in phase equilibria modeling are analyzed. The mapping of the global equilibrium surface in the parameter space of the equation of state (EoS) model provides the most comprehensive system of criteria for predicting binary mixture phase behavior. One may obtain the relationships for azeotropic boundaries from the global phase diagram [A (azeotrope) and H (hetero-azeotrope)] regions. Analytical expressions to predict azeotrope and double azeotrope phenomena in terms of critical parameters of pure components were derived using global phase diagram. The problem estimations of phase behavior modeling under the uncertainty are formulated applying the Pareto-optimum parameter and different (crisp and fuzzy) convolution schemes. The Pareto-optimum parameters in the Redlich-Kwong equation of state used different conflicting data sets (simultaneous description of the phase equilibria and critical line data in binary mixtures, thermodynamically consistent description of the inhomogeneous data). Ionic liquids (ILs) are one of prospective new working media for different environmentally friendly technologies. Practically undetectable vapor pressure is considered the ILs as ideal solvents replacing conventional solvents in the frame of a "green chemistry." Combination of ionic liquids with conventional natural and synthetic refrigerants promotes the increasing efficiency of absorption processes due to nonvolatile ionic liquids (absorbents).
相平衡模型中二元混合物的共沸破断势
对二元混合物相平衡建模中的全局相图进行了分析。整体平衡面在状态方程(EoS)模型参数空间中的映射为二元混合相行为的预测提供了最全面的准则体系。从整体相图[A(共沸体)和H(异共沸体)]区域可以得到共沸边界的关系。利用整体相图导出了纯组分临界参数预测共沸物和双共沸物现象的解析表达式。应用帕累托最优参数和不同(清晰和模糊)卷积格式,给出了不确定性下相行为建模的问题估计。Redlich-Kwong状态方程中的pareto最优参数使用了不同的冲突数据集(二元混合物中相平衡和临界线数据的同时描述,非均匀数据的热力学一致描述)。离子液体是一种很有前景的新型工作介质,适用于各种环保技术。在“绿色化学”的框架下,几乎检测不到的蒸汽压被认为是取代传统溶剂的理想溶剂。离子液体与传统的天然和合成制冷剂的结合,由于非挥发性离子液体(吸收剂),促进了吸收过程效率的提高。
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