为满足我国对制冷技术环境保护和能源方面提出的更高要求，开发绿色高效的吸收式制冷技术已成为制冷行业高质量发展的主要方向。本项目通过实验测定含咪唑型酸性ILs/LiBr/H2O三元体系的饱和蒸气压与溶解度等物性，计算各物性贡献值确定三元制冷工质最优咪唑型酸性ILs；基于密度泛函理论和分子动力学模拟确定咪唑型酸性ILs的结构特性与关键活性位点，探究三元工质分子间作用力与作用关系，揭示咪唑型酸性ILs/LiBr/H2O三元工质体系的微观作用机理和体系热力学性质随组成改变的非线性变化本质规律；基于基础实验热物性数据回归得到准确的交互作用参数，构建三元工质吸收式制冷过程热力学模型；基于先进的㶲与㶲经济分析方法与非支配排序精英遗传算法，探究过程的协调优化机制。本研究对从微观层面揭示咪唑型酸性ILs/LiBr/H2O三元制冷工质的热力学机制并推进其在制冷过程中的应用具有重要意义。

In order to meet the higher requirements of environmental protection and energy of refrigeration technology in China, the development of green and efficient absorption refrigeration technology has become the main direction of high-quality development in the refrigeration industry. In this project, the saturated vapor pressure and solubility of ILs / LiBr / H2O ternary system containing imidazole are measured experimentally, and the contribution value of each property is calculated to determine the optimal imidazole acidic ILS for ternary refrigerant. Based on the density functional theory and molecular dynamics simulation, the structural characteristics and key active sites of imidazole type acidic ILs are determined, and the relationship between molecular force and action of ternary working medium is explored. The micro action mechanism of imidazole type acidic ILS / LiBr / H2O ternary working medium system and the non-linear change of thermodynamic properties of the system with the change of composition are revealed. Based on the regression of the basic experimental thermodynamic data, the accurate interaction parameters are obtained, the absorption refrigeration process simulation of ternary working medium is constructed, and the coordination and optimization mechanism of the process is explored based on theadvance exergy and exergoeconomic analysis method and the non dominated sorting elite genetic algorithm. This study is of great significance to reveal the thermodynamic mechanism of imidazole type ILS / LiBr / H2O ternary refrigerant from the micro level and promote its application in the refrigeration process.