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What does the NRTL model look like? Determination of boundaries for different fluid phase equilibrium regions
AIChE Journal ( IF 3.7 ) Pub Date : 2022-06-15 , DOI: 10.1002/aic.17805
Juan A. Labarta 1 , María M. Olaya 1 , Antonio F. Marcilla 1
Affiliation  

The adequate correlation of experimental phase equilibrium data by using any thermodynamic model represents a key point for the rigorous design of the chemical processes. However, this data correlation process remains a challenging problem, due to the high nonlinearity of the models used and the consequent problems of convergence. The present work analyzes the nonrandom two-liquids mode (NRTL) model to check the relation between the values of the binary interaction parameters and the corresponding phase equilibria that the NRTL model can or cannot reproduce. Additionally, in the case of the LLE, empirical equations have been established as a function of the nonrandomness parameter, to model the trajectory of the different miscibility boundaries observed. These functions can be used as constraints in the experimental data correlation procedure to reduce the search space and guarantee the consistency of the obtained binary interaction parameters with the experimental behavior of the system under study.

中文翻译:

NRTL 模型是什么样的?确定不同流体相平衡区域的边界

使用任何热力学模型对实验相平衡数据进行充分关联是严格设计化学过程的关键点。然而,由于所使用模型的高度非线性以及随之而来的收敛问题,这种数据关联过程仍然是一个具有挑战性的问题。目前的工作分析了非随机二液模式 (NRTL) 模型,以检查二元相互作用参数的值与 NRTL 模型可以或不能再现的相应相平衡之间的关系。此外,在 LLE 的情况下,已建立经验方程作为非随机参数的函数,以模拟观察到的不同混溶边界的轨迹。
更新日期:2022-06-15
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