To simulate the process of hydrate-based gas separation for post-combustion CO₂ capture in non-equilibrium situation, the operational pressure of hydration reaction should be specified firstly, which was depending on the dissociation pressure and the driving force. As the main effect factor of dissociation pressure, the mole fraction of water L/(L+V) in the feed should be predicted in priori. And then the driving force could be sequentially determined based on the systematic analyses. In this work, a new computational method to predict L/(L+V) was proposed. Then based on the thermodynamic model, proposed in our previous work, CPA-SRK + Chen-Guo model, and the three-phase isothermal flash calculation method, we simulated the non-equilibrium stage hydrate-based gas separation technology (for the flue gas containing 17% CO₂ and 83% N₂ at the condition of 277K) with stage-by-stage calculation. For each stage, the optimized operational pressure of each stage was specified in advance, and then the rate as well as the composition of the main flows were subsequently calculated with flash calculation. Based on the obtained results, it was suggested that four stages of hydration reactions were necessary to obtain a 90% CO₂ purity. Furthermore, the performances concerning on split fractions and separation factors were also assessed.

为了模拟在非平衡状态下燃烧后CO ₂捕集的水合物基气体分离过程，首先应根据分解压力和驱动力确定水合反应的操作压力。作为解离压力的主要影响因素，应事先预测进料中水的摩尔分数L /（L + V）。然后可以基于系统分析顺序确定驱动力。在这项工作中，一种预测L /（L + V的新计算方法）的提议。然后，根据我们先前工作中提出的热力学模型CPA-SRK + Chen-Guo模型，以及三相等温闪蒸计算方法，对非平衡级水合物气分离技术（烟道气）进行了模拟。逐级计算，在277K的条件下含有17％的CO ₂和83％的N ₂。对于每个阶段，预先指定每个阶段的最佳操作压力，然后随后通过闪蒸计算来计算流量以及主要流量的组成。根据获得的结果，建议要获得90％的CO ₂需要四个阶段的水合反应纯度。此外，还评估了有关分离级分和分离因子的性能。