Theoretical Studies of Near-Critical Fluids in Dilute Porous Media

稀多孔介质中近临界流体的理论研究

• 批准号: 9624090
• 负责人: Andrea Liu
• 金额: $ 32.95万
• 依托单位: University of California-Los Angeles
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1996
• 资助国家: 美国
• 起止时间: 1996-04-01 至 2000-03-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9624090&HistoricalAwards=false
• 关键词: Theoretical; Studies; Near; Critical; Fluids

Andrea Liu is supported by a Faculty Early Career Development Award from the Theoretical and Computational Chemistry Program to study equilibrium phase behavior and diffusive transport in near-critical fluids, such as vapor-liquid systems or binary liquid mixtures, confined in dilute porous media such as silica gels. In general, the behavior of a near-critical fluid in a porous medium is an extremely difficult theoretical problem, because the surface of the medium strongly prefers one phase of the fluid and because the structure of the medium is highly disordered. The approach used by Liu focuses on the strong interaction between the fluid and the surface; previous theoretical work has assumed that the interaction is weak and that disorder is the dominant factor. The keystone of the proposal is a model of the confining medium as a simple periodic network of cylindrical strands, which Liu has solved within the mean-field approximation. The proposed work builds on this basic model by using a coordinated combination of analytic and numerical techniques to investigate the effects of critical fluctuations and long-wavelength disorder in the gel structure, as well as the nonequilibrium behavior. This approach represents the best hope of isolating the effects of surface interactions and of disorder in the geometry of the medium in order to determine their relative importance for equilibrium and nonequilibrium behavior. The proposed education plan is centered around effective scientific communication. The objectives are to demystify science for non-majors and to convince them that chemistry is an important and interesting part of daily life, and to teach majors and graduate students how to communicate their work more effectively. Nearly critical fluids in dilute porous media, such as those studied by Liu, are models for more general multiphase fluids in more realistic porous media. Applications that are of industrial importance range from catalysis in porous beds, to storage of liquid wastes and liquid fuels in porous glasses, to the extraction of liquids such as oil from porous media like sandstone. An improved theoretical understanding of transport in porous media could have a significant impact in several of these strategic areas.

Andrea Liu 获得理论和计算化学项目的教师早期职业发展奖的支持，研究近临界流体中的平衡相行为和扩散传输，例如汽液系统或二元液体混合物，限制在稀多孔介质中，例如硅胶。 一般来说，多孔介质中近临界流体的行为是一个极其困难的理论问题，因为介质的表面强烈倾向于流体的一个相，并且介质的结构是高度无序的。 刘使用的方法侧重于流体与表面之间的强相互作用；先前的理论工作假设相互作用很弱，无序是主导因素。 该提案的重点是将限制介质模型作为简单的圆柱形股线周期网络，刘已经在平均场近似中解决了这个问题。所提出的工作建立在这个基本模型的基础上，通过使用分析和数值技术的协调组合来研究凝胶结构中临界波动和长波长无序的影响以及非平衡行为。 这种方法代表了隔离表面相互作用和介质几何形状无序的影响的最佳希望，以确定它们对平衡和非平衡行为的相对重要性。 拟议的教育计划以有效的科学传播为中心。目的是为非专业人士揭开科学的神秘面纱，让他们相信化学是日常生活中重要且有趣的一部分，并教导专业学生和研究生如何更有效地交流他们的工作。 稀多孔介质中的近临界流体（例如刘研究的流体）是更现实的多孔介质中更一般的多相流体的模型。 具有工业重要性的应用范围包括多孔床中的催化、多孔玻璃中液体废物和液体燃料的储存、以及从砂岩等多孔介质中提取液体（例如石油）。 提高对多孔介质传输的理论理解可能会对其中几个战略领域产生重大影响。