【摘要】 在CO₂捕获过程中，吸收剂性能对工艺的生产效率和总成本有重要影响。综述了化学、物理和混合吸收剂的结构、性质及其各自的优缺点，总结了化学吸收剂在CO₂捕获中的应用，介绍了实验、性质约束和计算机辅助分子设计（CAMD）等用于快速筛选和设计吸收剂的不同方法，指出利用CAMD方法可系统地评价大量分子和组分，极大优化筛选和设计的过程，提高实验效率。更多还原

【Abstract】 In the CO₂ capture process, the performance of absorbent has an important effect on the production efficiency and total cost.In this paper, the structure and properties of chemical, physical and mixed absorbents, as well as their advantages and disadvantages are reviewed, with emphasis on the application of chemical absorbers in CO₂ capture.Different methods such as experimental, property constraint, and computer-aided molecular design（CAMD） are introduced for rapid selection and design of absorbents.The use of CAMD method can systematically evaluate a large number of molecules and components, optimize the screening and design process greatly, and improve experimental efficiency.更多还原