Abstract A semi-empirical power law-based theory has been developed to model the crystallization kinetics in precipitating systems for CO2 capture. A more reliable activity-based theory and simplified concentration-based crystallization kinetics have also been derived for a gas-liquid-solid system in which CO2 evolution might be unavoidable during the experiments performed to determine crystallization kinetics. The power law is based on the concept of the metastable zone. Changes in the metastable zone width are therefore discussed when complex chemistry is involved (as in the case of CO2 capture). 2-Amino-2-methyl-1-propanol (AMP) in the organic solvent N-methyl pyrrolidinone (NMP) was used as a case study, and the kinetics for the precipitation of the salt resulting from the capture of CO2 were determined using the developed theory. The theory required thermodynamic property modeling of the AMP-NMP-CO2 system, which was accomplished using equilibrium solubility experiments with equilibrium times of at least 330 min. The model was developed in Aspen Plus using the ENRTL-RK property model. The meta-stable zone width varied with varying loading. The logarithm of the activity-based supersaturation ratio should be considered a more reliable measure of supersaturation. It was also found that concentration-based relative supersaturation was a good approximation of the supersaturation ratio for the case of AMP in NMP. However, approximating the supersaturation ratio with the concentration difference was found to be too error-prone.

中文翻译：

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结晶动力学和平衡在具有气-液-固平衡的碳捕获系统中的作用：NMP 溶液中 AMP 的案例研究

摘要 已经开发了一种基于半经验幂律的理论来模拟用于 CO2 捕获的沉淀系统中的结晶动力学。对于气-液-固系统，还推导出了更可靠的基于活性的理论和基于浓度的简化结晶动力学，其中在为确定结晶动力学而进行的实验期间可能不可避免地会产生 CO2。幂律基于亚稳态区的概念。因此，当涉及复杂的化学反应时（如在 CO2 捕获的情况下），将讨论亚稳区宽度的变化。以有机溶剂 N-甲基吡咯烷酮 (NMP) 中的 2-氨基-2-甲基-1-丙醇 (AMP) 作为案例研究，并使用发达的理论。该理论需要对 AMP-NMP-CO2 系统进行热力学性质建模，这是使用平衡时间至少 330 分钟的平衡溶解度实验完成的。该模型是在 Aspen Plus 中使用 ENRTL-RK 属性模型开发的。亚稳定区宽度随着负载的变化而变化。基于活性的过饱和比的对数应被视为一种更可靠的过饱和度量。还发现基于浓度的相对过饱和度是 NMP 中 AMP 情况下过饱和度的良好近似值。然而，发现用浓度差来近似过饱和比太容易出错。这是使用平衡溶解度实验完成的，平衡时间至少为 330 分钟。该模型是在 Aspen Plus 中使用 ENRTL-RK 属性模型开发的。亚稳定区宽度随着负载的变化而变化。基于活性的过饱和比的对数应被视为一种更可靠的过饱和度量。还发现基于浓度的相对过饱和度是 NMP 中 AMP 情况下过饱和度的良好近似值。然而，发现用浓度差来近似过饱和比太容易出错。这是使用平衡溶解度实验完成的，平衡时间至少为 330 分钟。该模型是在 Aspen Plus 中使用 ENRTL-RK 属性模型开发的。亚稳定区宽度随着负载的变化而变化。基于活性的过饱和比的对数应被视为一种更可靠的过饱和度量。还发现基于浓度的相对过饱和度是 NMP 中 AMP 情况下过饱和度的良好近似值。然而，发现用浓度差来近似过饱和比太容易出错。基于活性的过饱和比的对数应被视为一种更可靠的过饱和度量。还发现基于浓度的相对过饱和度是 NMP 中 AMP 情况下过饱和度的良好近似值。然而，发现用浓度差来近似过饱和比太容易出错。基于活性的过饱和比的对数应被视为一种更可靠的过饱和度量。还发现基于浓度的相对过饱和度是 NMP 中 AMP 情况下过饱和度的良好近似值。然而，发现用浓度差来近似过饱和比太容易出错。