Unveiling Nucleation Mechanisms of Natural Gas Hydrates Under Realistic Conditions

揭示现实条件下天然气水合物的成核机制

• 批准号: 1264438
• 负责人: Tianshu Li
• 金额: $ 28.12万
• 依托单位: George Washington University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2013
• 资助国家: 美国
• 起止时间: 2013-07-15 至 2017-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1264438&HistoricalAwards=false
• 关键词: Unveiling; Nucleation; Mechanisms; Natural; Gas

Natural gas hydrates represent both a potential source of energy--as much as twice of all other fossil fuels combined--and a fouling and safety problem, when they accumulate inside oil and gas pipelines. An understanding of how gas hydrates form, specifically at the nucleation stage, will have an impact on energy storage, transport, and possibly CO2 sequestration. This proposal will use a state of the art forward flux sampling (FFS) technique to enhance statistical sampling of rare nucleation events that are often missed by direct molecular dynamics simulations, thus potentially getting a better understanding of hydrate formation.A better understanding of how gas hydrates are formed, especially at the nucleation stage, will have an impact on both energy storage and transport safety of gas and oil pipelines.

天然气水合物既是一种潜在的能源--相当于所有其他化石燃料总和的两倍--也是一个污垢和安全问题，因为它们聚集在石油和天然气管道内。了解天然气水合物是如何形成的，特别是在成核阶段，将对能源储存、运输以及可能的二氧化碳封存产生影响。这项提议将使用最先进的正向通量采样(FFS)技术来加强对直接分子动力学模拟经常遗漏的罕见成核事件的统计采样，从而潜在地更好地了解水合物的形成。更好地理解天然气水合物的形成，特别是成核阶段，将对天然气和石油管道的储能和运输安全产生影响。