This work addresses the post-combustion carbon dioxide capture capabilities of optimally designed mixtures of ionic liquids, as well as pure ionic liquids. We postulate that ionic liquid mixtures can display better absorption rates and processing features when compared with pure ionic liquids. The computer-aided molecular design of the ionic liquids mixture was posed as a mixed-integer nonlinear programming problem to determine both the chemical structure and the amount of each ionic liquid in the mixture. Also, multiobjective optimization was performed to determine optimal operating conditions, specifically pressure and ionic liquids mixture feed stream, for an absorption separation process with various optimal mixtures. Results show that the anion [Tf₂N] with the chain -(CH)₂(CH₂)₅(CH₃)₃ was present both in the pure ionic liquid case and in the mixtures of these compounds. Results also indicate that, even though the amount of carbon dioxide absorbed by pure ionic liquid is slightly higher than the absorbed by ionic liquids mixture, there are important operational and environmental advantages of using such type of mixtures since they have milder physical properties than the pure ionic liquid.

这项工作解决了优化设计的离子液体混合物以及纯离子液体的燃烧后二氧化碳捕获能力。我们假设与纯离子液体相比，离子液体混合物可以显示出更好的吸收率和加工特性。离子液体混合物的计算机辅助分子设计被提出为混合整数非线性规划问题，以确定混合物中每种离子液体的化学结构和数量。此外，还进行了多目标优化以确定最佳操作条件，特别是压力和离子液体混合物进料流，用于具有各种最佳混合物的吸收分离过程。结果表明，阴离子 [Tf ₂ N] 与链 -(CH) ₂ (CH₂ ) ₅ (CH ₃ ) ₃存在于纯离子液体情况和这些化合物的混合物中。结果还表明，即使纯离子液体吸收的二氧化碳量略高于离子液体混合物吸收的二氧化碳量，但使用此类混合物具有重要的操作和环境优势，因为它们具有比纯离子液体更温和的物理性质。离子液体。