NSF/CONACyT: Molecular Modeling of Phase Equilibria in Porous Media: Application to Enhanced Oil Recovery

NSF/CONACyT：多孔介质相平衡的分子模型：在提高石油采收率中的应用

• 批准号: 0453229
• 负责人: Clare McCabe
• 金额: --
• 依托单位: Vanderbilt University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2004
• 资助国家: 美国
• 起止时间: 2004-08-08 至 2007-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0453229&HistoricalAwards=false
• 关键词: NSF; CONACyT; Molecular; Modeling; Phase

McCabe, Clare MColorado School of Mines"Molecular Modeling of Phase Equilibria in Porous Media: Application to Enhanced Oil Recovery"In this project the technology needs of the oil industry will be addressed by providing tools that can be used to better understand the thermodynamic processes taking place during enhanced oil recovery (EOR). Specifically a molecular based framework will be developed with which to study the phase behavior, both in bulk and porous media, of systems relevant to EOR. In order to achieve this goal, theoretical developments to accurately study, with the minimum of reliance on experimental data, systems relevant to EOR will be incorporated into a sophisticated SAFT (statistical associating fluid theory) approach. In particular molecular polarity (such as that seen in nitrogen and carbon dioxide which are important fluids in oil extraction) and monomer heterogeneity (needed to accurately model aromatic compounds) will be incorporated into the molecular model. These interactions are also of fundamental importance in accurately modeling the effects of surfactant molecules on oil plus water phase behavior. Additionally, within the SAFT approach a molecular based theory for studying the phase behavior of fluids in porous media will be developed. By computing the thermodynamic equilibria between the confined fluid and bulk fluid, both described by SAFT, adsorption phenomena can be studied. This represents a significant modeling challenge, though if successful would allow us to treat phase behavior in bulk and confined fluids on an equal footing.The broader impacts of the proposal are (1) education of graduate and undergraduate students (including women and minorities) and the international cooperation with Mexico, and (2) energy applications in enhanced oil recovery.

McCabe，克莱尔M科罗拉多矿业学院“多孔介质中相平衡的分子模拟：在提高采收率方面的应用“在该项目中，石油工业的技术需求将通过提供可用于更好地理解提高采收率（EOR）过程中发生的热力学过程的工具来解决。具体地说，将开发一个基于分子的框架来研究与EOR相关的系统在本体和多孔介质中的相行为。 为了实现这一目标，理论的发展，以准确地研究，与实验数据的依赖最小，系统相关的EOR将被纳入一个复杂的SAFT（统计关联流体理论）的方法。特别是分子极性（如氮气和二氧化碳中所见，这是石油开采中的重要流体）和单体异质性（需要准确建模芳族化合物）将被纳入分子模型。这些相互作用在精确模拟表面活性剂分子对油加水相行为的影响方面也具有根本的重要性。此外，在SAFT方法中，将开发用于研究多孔介质中流体相行为的基于分子的理论。通过计算受限流体和本体流体之间的热力学平衡，两者都由SAFT描述，吸附现象可以进行研究。这是一个重大的建模挑战，如果成功的话，将使我们能够平等地对待散装和封闭流体的相行为。该提案的更广泛影响是（1）研究生和本科生（包括妇女和少数民族）的教育以及与墨西哥的国际合作，（2）提高石油采收率的能源应用。