A new method for integrated ionic liquid (IL) and absorption process design is proposed where a rigorous rate-based process model is used to incorporate absorption thermodynamics and kinetics. Different types of models including group contribution models and thermodynamic models are employed to predict the process-relevant physical, kinetic, and thermodynamic (gas solubility) properties of ILs. Combining the property models with process models, the integrated IL and process design problem is formulated as an MINLP optimization problem. Unfortunately, due to the model complexity, the problem is prone to convergence failure. To lower the computational difficulty, tractable surrogate models are used to replace the complex thermodynamic models while maintaining the prediction accuracy. This provides an opportunity to find the global optimum for the integrated design problem. A pre-combustion carbon capture case study is provided to demonstrate the applicability of the method. The obtained global optimum saves 14.8% cost compared with the Selexol process.

中文翻译：

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用于气体分离的集成离子液体和基于速率的吸收工艺设计：使用混合模型的全局优化

提出了一种集成离子液体 (IL) 和吸收过程设计的新方法，其中使用严格的基于速率的过程模型来结合吸收热力学和动力学。包括组贡献模型和热力学模型在内的不同类型的模型被用来预测 IL 与过程相关的物理、动力学和热力学（气体溶解度）特性。将属性模型与过程模型相结合，将集成的 IL 和过程设计问题表述为一个 MINLP 优化问题。不幸的是，由于模型的复杂性，该问题容易出现收敛失败。为了降低计算难度，在保持预测精度的同时，使用易处理的替代模型来代替复杂的热力学模型。这为找到集成设计问题的全局最优提供了机会。提供了一个燃烧前碳捕获案例研究来证明该方法的适用性。得到的全局最优与Selexol工艺相比节省了14.8%的成本。