The SAFT‐γ Mie group‐contribution equation of state is used to represent the fluid‐phase behavior of aqueous solutions of a variety of linear, branched, and cyclic amines. New group interactions are developed in order to model the mixtures of interest, including the like and unlike interactions between alkyl primary, secondary, and tertiary amine groups (NH₂, NH, N), cyclic secondary and tertiary amine groups (cNH, cN), and cyclic methine‐amine groups (cCHNH, cCHN) with water (H₂O). The group‐interaction parameters are estimated from appropriate experimental thermodynamic data for pure amines and selected mixtures. By taking advantage of the group‐contribution nature of the method, one can describe the fluid‐phase behavior of mixtures of molecules comprising those groups over broad ranges of temperature, pressure, and composition. A number of aqueous solutions of amines are studied including linear, branched aliphatic, and cyclic amines. Liquid–liquid equilibria (LLE) bounded by lower critical solution temperatures (LCSTs) have been reported experimentally and are reproduced here with the SAFT‐γ Mie approach. The main feature of the approach is the ability not only to represent accurately the experimental data employed in the parameter estimation, but also to predict the vapor–liquid, liquid–liquid, and vapor–liquid–liquid equilibria, and LCSTs with the same set of parameters. Pure compound and binary phase diagrams of diverse types of amines and their aqueous solutions are assessed in order to demonstrate the main features of the thermodynamic and fluid‐phase behavior.

中文翻译：

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线性，支链和环状胺水溶液的热力学性质和液相行为的描述

所述SAFT- γ状态的三重基团贡献方程被用来表示多种直链，支链的水溶液，和环胺的流体相行为。为了模拟感兴趣的混合物，开发了新的基团相互作用，包括类似的和不同的烷基伯，仲和叔胺基团（NH ₂，NH，N），环状仲和叔胺基团（cNH，cN）之间的相互作用以及带有水（H _2的环次甲基胺基（cCHNH，cCHN）O）。基团相互作用参数是根据适用于纯胺和选定混合物的实验热力学数据估算得出的。通过利用该方法的基团贡献性质，可以描述在宽泛的温度，压力和组成范围内，包含这些基团的分子混合物的液相行为。研究了许多胺的水溶液，包括直链，支链脂族和环状胺。已经通过实验报道了受较低临界溶液温度（LCST）限制的液液平衡（LLE），并在此处与SAFT‐ γ一起复制。三重方法。该方法的主要特点是不仅可以准确表示参数估计中使用的实验数据，而且还可以预测气-液，液-液和气-液-液平衡以及具有相同集合的LCST的能力参数。评估了各种胺及其水溶液的纯化合物和二元相图，以证明其热力学和液相行为的主要特征。