António J. Queimada, Xiaohong Zhang, Nuno Pedrosa, Behnam Salimi
{"title":"富二氧化碳流中盐分、杂质和低含水量对天然气水合物形成的影响","authors":"António J. Queimada, Xiaohong Zhang, Nuno Pedrosa, Behnam Salimi","doi":"10.1021/acs.jced.4c00075","DOIUrl":null,"url":null,"abstract":"Carbon capture utilization and storage (CCUS) together with natural gas production from high CO<sub>2</sub>-containing reservoirs has raised attention to the formation of CO<sub>2</sub>-rich gas hydrates. These gas mixtures can contain impurities such as Ar, O<sub>2</sub>, N<sub>2</sub>, H<sub>2</sub>, NxOy, CO, H<sub>2</sub>S, SO<sub>2</sub>, or mercury, some of which are also hydrate formers or potential corrosion enhancers. This paper addresses the use of thermodynamic models to predict the phase behavior of CO<sub>2</sub>-rich streams. It starts from the overall binary phase equilibria of CO<sub>2</sub> with water. Then, gas hydrates and the effect of different impurities on the hydrate phase behavior are observed. Furthermore, the effect of salts on CO<sub>2</sub> solubility and the influence of inhibitors such as salts on CO<sub>2</sub> hydrate suppression are analyzed. For modeling hydrates, the solid solution theory of van der Waals and Platteeuw, as implemented by Parrish and Prausnitz, is used coupled with the Cubic-Plus-Association equation of state (CPA EoS) for representing the fluid phases. The influence of electrolytes on hydrate formation and CO<sub>2</sub> solubility in brines is modeled with an add-on electrolyte term based on the Debye–Hückel theory. The main objective of this Perspective is to consider all possible phase equilibria simultaneously, as in CCUS applications we cannot detach the different phase equilibria conditions. The results demonstrate that the selected models can accurately represent the phase behavior of CO<sub>2</sub>-rich streams and the effect of salts and impurities on gas hydrate formation.","PeriodicalId":42,"journal":{"name":"Journal of Chemical & Engineering Data","volume":null,"pages":null},"PeriodicalIF":2.0000,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Effect of Salts, Impurities, and Low Water Contents in the Formation of Gas Hydrates in CO2-Rich Streams\",\"authors\":\"António J. Queimada, Xiaohong Zhang, Nuno Pedrosa, Behnam Salimi\",\"doi\":\"10.1021/acs.jced.4c00075\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Carbon capture utilization and storage (CCUS) together with natural gas production from high CO<sub>2</sub>-containing reservoirs has raised attention to the formation of CO<sub>2</sub>-rich gas hydrates. These gas mixtures can contain impurities such as Ar, O<sub>2</sub>, N<sub>2</sub>, H<sub>2</sub>, NxOy, CO, H<sub>2</sub>S, SO<sub>2</sub>, or mercury, some of which are also hydrate formers or potential corrosion enhancers. This paper addresses the use of thermodynamic models to predict the phase behavior of CO<sub>2</sub>-rich streams. It starts from the overall binary phase equilibria of CO<sub>2</sub> with water. Then, gas hydrates and the effect of different impurities on the hydrate phase behavior are observed. Furthermore, the effect of salts on CO<sub>2</sub> solubility and the influence of inhibitors such as salts on CO<sub>2</sub> hydrate suppression are analyzed. For modeling hydrates, the solid solution theory of van der Waals and Platteeuw, as implemented by Parrish and Prausnitz, is used coupled with the Cubic-Plus-Association equation of state (CPA EoS) for representing the fluid phases. The influence of electrolytes on hydrate formation and CO<sub>2</sub> solubility in brines is modeled with an add-on electrolyte term based on the Debye–Hückel theory. The main objective of this Perspective is to consider all possible phase equilibria simultaneously, as in CCUS applications we cannot detach the different phase equilibria conditions. The results demonstrate that the selected models can accurately represent the phase behavior of CO<sub>2</sub>-rich streams and the effect of salts and impurities on gas hydrate formation.\",\"PeriodicalId\":42,\"journal\":{\"name\":\"Journal of Chemical & Engineering Data\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.0000,\"publicationDate\":\"2024-07-02\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Chemical & Engineering Data\",\"FirstCategoryId\":\"1\",\"ListUrlMain\":\"https://doi.org/10.1021/acs.jced.4c00075\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"CHEMISTRY, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical & Engineering Data","FirstCategoryId":"1","ListUrlMain":"https://doi.org/10.1021/acs.jced.4c00075","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
Effect of Salts, Impurities, and Low Water Contents in the Formation of Gas Hydrates in CO2-Rich Streams
Carbon capture utilization and storage (CCUS) together with natural gas production from high CO2-containing reservoirs has raised attention to the formation of CO2-rich gas hydrates. These gas mixtures can contain impurities such as Ar, O2, N2, H2, NxOy, CO, H2S, SO2, or mercury, some of which are also hydrate formers or potential corrosion enhancers. This paper addresses the use of thermodynamic models to predict the phase behavior of CO2-rich streams. It starts from the overall binary phase equilibria of CO2 with water. Then, gas hydrates and the effect of different impurities on the hydrate phase behavior are observed. Furthermore, the effect of salts on CO2 solubility and the influence of inhibitors such as salts on CO2 hydrate suppression are analyzed. For modeling hydrates, the solid solution theory of van der Waals and Platteeuw, as implemented by Parrish and Prausnitz, is used coupled with the Cubic-Plus-Association equation of state (CPA EoS) for representing the fluid phases. The influence of electrolytes on hydrate formation and CO2 solubility in brines is modeled with an add-on electrolyte term based on the Debye–Hückel theory. The main objective of this Perspective is to consider all possible phase equilibria simultaneously, as in CCUS applications we cannot detach the different phase equilibria conditions. The results demonstrate that the selected models can accurately represent the phase behavior of CO2-rich streams and the effect of salts and impurities on gas hydrate formation.
期刊介绍:
The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.