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Simultaneous Multiphase Flash and Stability Analysis Calculations Including Solid CO2 for CO2–CH4, CO2–CH4–N2, and CO2–CH4–N2–O2 Mixtures
Journal of Chemical & Engineering Data ( IF 2.6 ) Pub Date : 2021-09-01 , DOI: 10.1021/acs.jced.1c00330 Giorgia De Guido 1 , Elvira Spatolisano 1
Journal of Chemical & Engineering Data ( IF 2.6 ) Pub Date : 2021-09-01 , DOI: 10.1021/acs.jced.1c00330 Giorgia De Guido 1 , Elvira Spatolisano 1
Affiliation
This work deals with solid–vapor equilibria and solid–liquid–vapor equilibria of carbon dioxide in mixtures of interest for natural gas purification and biogas upgrading. Experimental data available in the literature are reviewed and an algorithm for solving an isobaric–isothermal flash coupled to a phase stability analysis is presented, which does not require a-priori knowledge of the number and type of phases existing at equilibrium. The good agreement between calculation results, also performed with a tool that makes use of Gibbs free energy minimization, and experimental data suggests that the proposed approach can be used for determining suitable operating conditions for processes aimed at separating CO2 out of a gas by freezing it. This work points out that more experimental studies should be performed on phase equilibria in the presence of solid CO2 for multicomponent mixtures containing species other than methane (e.g., nitrogen and oxygen), which are representative of gaseous streams from which CO2 needs to be removed, such as natural gas, biogas, and flue gas from power plants. Such data are important for a proper calibration of thermodynamic models that must be selected for reliable process simulations.
中文翻译:
同时多相闪蒸和稳定性分析计算,包括 CO2–CH4、CO2–CH4–N2 和 CO2–CH4–N2–O2 混合物的固体 CO2
这项工作涉及二氧化碳在天然气净化和沼气升级的目标混合物中的固-气平衡和固-液-气平衡。回顾了文献中可用的实验数据,并提出了一种求解等压-等温闪蒸与相稳定性分析相结合的算法,该算法不需要对平衡状态下存在的相的数量和类型的先验知识。计算结果(也使用利用吉布斯自由能最小化的工具执行)与实验数据之间的良好一致性表明,所提出的方法可用于确定旨在分离 CO 2 的过程的合适操作条件把气体冷冻起来。这项工作指出,对于含有甲烷以外的物质(例如,氮和氧)的多组分混合物,应在固体 CO 2存在下对相平衡进行更多的实验研究,这些物质是代表需要从中去除 CO 2的气流天然气、沼气、发电厂烟气等。这些数据对于正确校准必须为可靠的过程模拟选择的热力学模型很重要。
更新日期:2021-09-01
中文翻译:
同时多相闪蒸和稳定性分析计算,包括 CO2–CH4、CO2–CH4–N2 和 CO2–CH4–N2–O2 混合物的固体 CO2
这项工作涉及二氧化碳在天然气净化和沼气升级的目标混合物中的固-气平衡和固-液-气平衡。回顾了文献中可用的实验数据,并提出了一种求解等压-等温闪蒸与相稳定性分析相结合的算法,该算法不需要对平衡状态下存在的相的数量和类型的先验知识。计算结果(也使用利用吉布斯自由能最小化的工具执行)与实验数据之间的良好一致性表明,所提出的方法可用于确定旨在分离 CO 2 的过程的合适操作条件把气体冷冻起来。这项工作指出,对于含有甲烷以外的物质(例如,氮和氧)的多组分混合物,应在固体 CO 2存在下对相平衡进行更多的实验研究,这些物质是代表需要从中去除 CO 2的气流天然气、沼气、发电厂烟气等。这些数据对于正确校准必须为可靠的过程模拟选择的热力学模型很重要。