Thermodynamic modeling for the carbonate system K-HCO3-CO3 in alkanolamine solutions: An extended application for CO2 scrubbing
Thermodynamic modeling for the carbonate system K-HCO3-CO3 in alkanolamine solutions: An extended application for CO2 scrubbing
复制标题
烷醇胺溶液中碳酸盐体系 K-HCO3-CO3 的热力学建模：CO2 洗涤的扩展应用
DOI：
10.1016/j.cej.2019.123250
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发表时间：
2020-03
影响因子：
15.1
通讯作者：
Li Zhibao
中科院分区：
文献类型：
--
作者：
Wang Qiaoxin;Li Zhibao
基于k2co3浆料的胺类二氧化碳吸收技术涉及对所有三相的化学平衡进行深入分析。然而，关于k - co3 - hco3固液体系在烷醇胺溶液中的溶解度和热力学建模的研究报道有限。首先利用OLI Studio Stream Analyzer进行气液平衡计算，研究co2在单乙醇胺(MEA) /二乙醇胺（DEA）溶液中的吸收谱，结果与文献数据吻合较好。我们进一步应用溶解法测定了k2co3和khco3在283 ~ 353 K水溶液中的溶解度，P= 0.1 MPa。通过混合溶剂-电解质、活度系数模型对溶解度数据进行回归，建立了化学模型进行热力学分析。重新参数化后，各固液体系的相对偏差在5%以内。调整新回归的参数可以更好地预测溶解度，它们对于评估co2在四元体系中的吸收性能也至关重要，这有助于过程建模。
The K2CO3slurry-based, CO2absorption technology in amines involves in-depth analysis of chemical equilibrium for all three phases. However, the reported studies regarding solubility and thermodynamics modeling of the solid-liquid system: K-CO3-HCO3in alkanolamine solutions are limited. We first performed vapor-liquid equilibrium calculation to study the absorption profile of CO2in monoethanolamine (MEA) /diethanolamine (DEA) solutions using OLI Studio Stream Analyzer, results were in good agreement with literature data. We further applied the dissolution method to measure the solubility of K2CO3and KHCO3in the aqueous alkanolamine solution from 283 to 353 K,P= 0.1 MPa. A chemical model was developed for the purpose of conducting thermodynamic analysis by the regression of solubility data via the mixed-solvent-electrolyte, activity coefficient model. The relative deviations are within 5% for each solid-liquid system after reparameterization. Tuning the newly-regressed parameters allowed for a better prediction of solubility, they also come vital in evaluating the absorption performance of CO2in quaternary systems, which are made available to aid in process modeling.
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