Carbon capture, utilisation, and storage (CCUS) is considered as the least cost-intensive option towards achieving the emission reduction target by 2050. One of the important technologies to remove CO₂ from different gas streams is solvent-based CO₂ capture. Modelling and simulation of solvent-based CO₂ capture processes have been attracting a lot of attention in recent years. Thermodynamic models play a vital role in these modelling and simulation studies. Hence, this study critically reviews the thermodynamic models applied in the modelling of solvent-based CO₂ capture systems over the past years, to provide a guideline for the selection of the optimum models for future studies. These models have wide applications in two main areas: equilibrium modelling [vapour-liquid equilibrium (VLE) (physical) and speciation equilibrium (chemical)], and calculation of some thermodynamic properties. VLE and speciation modelling methods are classified rigorously. VLE modelling methods are classified as homogeneous, heterogeneous, and empirical, and speciation modelling methods are classified as iterative (which could be stoichiometric and non-stoichiometric) and non-iterative. Thermodynamic models are categorised into three key families: activity-coefficient based, equation of state based, and quantum mechanical based. Theory and concepts of different thermodynamic models are presented. Some selected studies that used each family of thermodynamic models are reviewed.

中文翻译：

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热力学模型应用于二氧化碳吸收模型

碳捕集，利用和封存（CCUS）被认为是实现2050年减排目标的成本最低的选择。从不同气流中去除CO ₂的重要技术之一是基于溶剂的CO ₂捕集。近年来，基于溶剂的CO ₂捕获过程的建模和仿真已引起了广泛的关注。热力学模型在这些建模和仿真研究中起着至关重要的作用。因此，本研究批判性地回顾了用于溶剂型CO ₂建模的热力学模型。过去几年中的捕获系统，为将来研究的最佳模型选择提供了指南。这些模型在两个主要领域具有广泛的应用：平衡建模[汽液平衡（VLE）（物理）和形态平衡（化学）]，以及一些热力学性质的计算。VLE和物种模型化方法进行了严格分类。VLE建模方法分为同质，异质和经验，而形态建模方法分为迭代（可以是化学计量的和非化学计量的）和非迭代的。热力学模型分为三个关键家族：基于活动系数，基于状态方程和基于量子力学。介绍了不同热力学模型的理论和概念。