{"title":"二氧化碳水合物的快速增长是缓解温室效应的有效途径","authors":"","doi":"10.1016/j.mtphys.2024.101548","DOIUrl":null,"url":null,"abstract":"<div><p>Hydrate method to capture and store CO<sub>2</sub> under sea floor as one of the most novel and promising methods to deal with the greenhouse effect and reduce carbon emission has gained increasing attention nowadays. But how to grow CO<sub>2</sub> hydrate under promotion in confinement has rarely been exploited. Here the growth of CO<sub>2</sub> hydrate with tetrahydrofuran (THF) promoter in confinement was systematically investigated by molecular dynamics simulations, with the counterpart growth but without promoter as a comparison. With promoter, an obviously more rapid growth of CO<sub>2</sub> hydrate was observed and CO<sub>2</sub> molecules went inside water cages along with the THF ones but not gathered into bubbles during the formation of clathrate. However, the gathering of CO<sub>2</sub> bubbles in the system without promotion hindered the obvious formation of clathrate. The vivid movies and physical quantities were analyzed in detail in order to further unravel the physical mechanism of the growth process and the promotion effect of THF. The obtained simulation results proved that THF could indeed promote the confined growth of CO<sub>2</sub> hydrate by preventing the formation of large CO<sub>2</sub> bubbles, providing a theoretical foundation for the geological storage of CO<sub>2</sub> hydrate in permafrost areas and marine sediments.</p></div>","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":null,"pages":null},"PeriodicalIF":10.0000,"publicationDate":"2024-09-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Rapid growth of CO2 hydrate as a promising way to mitigate the greenhouse effect\",\"authors\":\"\",\"doi\":\"10.1016/j.mtphys.2024.101548\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Hydrate method to capture and store CO<sub>2</sub> under sea floor as one of the most novel and promising methods to deal with the greenhouse effect and reduce carbon emission has gained increasing attention nowadays. But how to grow CO<sub>2</sub> hydrate under promotion in confinement has rarely been exploited. Here the growth of CO<sub>2</sub> hydrate with tetrahydrofuran (THF) promoter in confinement was systematically investigated by molecular dynamics simulations, with the counterpart growth but without promoter as a comparison. With promoter, an obviously more rapid growth of CO<sub>2</sub> hydrate was observed and CO<sub>2</sub> molecules went inside water cages along with the THF ones but not gathered into bubbles during the formation of clathrate. However, the gathering of CO<sub>2</sub> bubbles in the system without promotion hindered the obvious formation of clathrate. The vivid movies and physical quantities were analyzed in detail in order to further unravel the physical mechanism of the growth process and the promotion effect of THF. The obtained simulation results proved that THF could indeed promote the confined growth of CO<sub>2</sub> hydrate by preventing the formation of large CO<sub>2</sub> bubbles, providing a theoretical foundation for the geological storage of CO<sub>2</sub> hydrate in permafrost areas and marine sediments.</p></div>\",\"PeriodicalId\":18253,\"journal\":{\"name\":\"Materials Today Physics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":10.0000,\"publicationDate\":\"2024-09-05\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Materials Today Physics\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2542529324002244\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Materials Today Physics","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2542529324002244","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
作为应对温室效应和减少碳排放的最新颖、最有前景的方法之一,水合物法在海底捕获和储存二氧化碳日益受到关注。但如何在密闭条件下促进二氧化碳水合物的生长却鲜有人问津。在此,我们通过分子动力学模拟系统地研究了有四氢呋喃(THF)促进剂的二氧化碳水合物在封闭条件下的生长情况,并与无促进剂的对应生长情况进行了比较。在使用促进剂的情况下,二氧化碳水合物的生长速度明显更快,二氧化碳分子与四氢呋喃分子一起进入水笼,但在凝块形成过程中没有聚集成气泡。然而,在没有促进剂的体系中,二氧化碳气泡的聚集阻碍了凝块的明显形成。为了进一步揭示生长过程的物理机制和四氢呋喃的促进作用,我们详细分析了生动的图像和物理量。所得到的模拟结果证明,THF 确实可以通过阻止大的 CO2 气泡形成来促进 CO2 水合物的封闭生长,为在永久冻土区和海洋沉积物中进行 CO2 水合物地质封存提供了理论依据。
Rapid growth of CO2 hydrate as a promising way to mitigate the greenhouse effect
Hydrate method to capture and store CO2 under sea floor as one of the most novel and promising methods to deal with the greenhouse effect and reduce carbon emission has gained increasing attention nowadays. But how to grow CO2 hydrate under promotion in confinement has rarely been exploited. Here the growth of CO2 hydrate with tetrahydrofuran (THF) promoter in confinement was systematically investigated by molecular dynamics simulations, with the counterpart growth but without promoter as a comparison. With promoter, an obviously more rapid growth of CO2 hydrate was observed and CO2 molecules went inside water cages along with the THF ones but not gathered into bubbles during the formation of clathrate. However, the gathering of CO2 bubbles in the system without promotion hindered the obvious formation of clathrate. The vivid movies and physical quantities were analyzed in detail in order to further unravel the physical mechanism of the growth process and the promotion effect of THF. The obtained simulation results proved that THF could indeed promote the confined growth of CO2 hydrate by preventing the formation of large CO2 bubbles, providing a theoretical foundation for the geological storage of CO2 hydrate in permafrost areas and marine sediments.
期刊介绍:
Materials Today Physics is a multi-disciplinary journal focused on the physics of materials, encompassing both the physical properties and materials synthesis. Operating at the interface of physics and materials science, this journal covers one of the largest and most dynamic fields within physical science. The forefront research in materials physics is driving advancements in new materials, uncovering new physics, and fostering novel applications at an unprecedented pace.