The purpose of this paper is to identify firstly the most important solvent characteristics in the CO₂ capture process and secondly to determine how they contribute to the total cost of CO₂ separation and analyze the economic feasibility of current deep eutectic solvents (DESs) in literature. A rate-based modeling approach was adopted to simulate pre-combustion CO₂ capture. The effects of the flow model and the number of segments were investigated for the Selexol process. Different mass transfer correlations due to Bravo et al. (1985), Billet and Schultes (1993) and Hanley and Chen (2012) were adopted for the rate-based models and compared with the equilibrium modelling approach. Subsequently, property and process models were developed for a mixture of decanoic acid and menthol, in equal quantities. A physical property study was conducted with this DES. The CO₂ solubility is found to be very important in all rate-based models, as expected, but properties such as the surface tension, thermal conductivity, heat capacity and volatility had a minor influence on the absorption performance. The solvent viscosity strongly affects the mass transfer rate when using the Hanley and Chen (2012) correlations, whereas it plays only a small role in the other two sets of correlations. Using a high CO₂ solubility as criterion, two mixtures of allyl triphenylphosphonium bromide (ATPPB) and diethylene glycol (DEG) were screened out from literature. The conventional Selexol process was set as the benchmark for the evaluation of the performances of these DESs. The optimum capture cost for Selexol process is 27.22, 26.66 and 30.84 $₂₀₁₈/tonne CO₂ for the adopted correlations, respectively. When employing two of the three studied mass transfer correlations, the estimated process costs for a capture process using this DES can be similar to the costs of the Selexol process. However, when the liquid viscosity strongly affects the mass transfer rate, as is the case when using the Hanley and Chen (2012) correlations, the Selexol process remains more economical. This strongly indicates the need for further experimental and modelling studies on mass transfer rates in absorption columns (with higher viscosity liquids) to help directing the development of suitable DESs for pre-combustion CO₂ capture.

本文的目的是首先确定在CO ₂捕集过程中最重要的溶剂特性，其次要确定它们如何对CO ₂分离的总成本作出贡献，并分析现有的深共熔溶剂（DES）的经济可行性。 。采用基于速率的建模方法来模拟燃烧前的CO ₂捕获。对于Selexol工艺，研究了流动模型和段数的影响。由于Bravo等人，不同的传质相关性。（1985），Billet和Schultes（1993）以及Hanley和Chen（2012）被用于基于利率的模型，并与均衡模型方法进行比较。随后，开发了等量癸酸和薄荷醇混合物的性能和工艺模型。用该DES进行了物理性能研究。一氧化碳₂正如所料，在所有基于速率的模型中，溶解度都非常重要，但是诸如表面张力，热导率，热容量和挥发性之类的特性对吸收性能的影响很小。当使用Hanley和Chen（2012）相关性时，溶剂粘度会极大地影响传质速率，而在其他两组相关性中，溶剂黏度仅扮演很小的角色。以高CO ₂溶解度为标准，从文献中筛选出烯丙基三苯基溴化膦（ATPPB）和二甘醇（DEG）的两种混合物。常规的Selexol工艺被设置为评估这些DES性能的基准。Selexol工艺的最佳捕集成本为27.22、26.66和30.84 $ ₂₀₁₈ / t CO ₂分别针对采用的相关性。当使用三个研究的传质相关性中的两个时，使用此DES进行捕集过程的估计过程成本可能与Selexol过程的成本相似。但是，当液体粘度极大地影响传质速率时（如使用Hanley和Chen（2012）关联式时的情况），Selexol工艺仍然更加经济。这强烈表明需要对吸收塔（具有较高粘度的液体）中的传质速率进行进一步的实验和模型研究，以帮助指导开发适用于燃烧前CO ₂捕集的DES 。