Gibbsian Surface Thermodynamics for Forefront Applications

用于前沿应用的吉布斯表面热力学

• 批准号: RGPIN-2021-02773
• 负责人: Elliott, Janet
• 金额: $ 3.35万
• 依托单位: University of Alberta
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2022
• 资助国家: 加拿大
• 起止时间: 2022-01-01 至 2023-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=746867
• 关键词: Gibbsian; Surface; Thermodynamics; Forefront; Applications

Systems with curved fluid interfaces (drops, bubbles, or interfacial menisci between two fluids inside a solid pore) are everywhere. Curved fluid interface effects determine the behaviour of a vast array of environmental and industrial processes, novel technologies, and forefront science. Example systems include cloud droplets, bubbles used for industrial froth flotation separations, fluid menisci that control enhanced oil recovery from nanoporous solid reservoirs in the earth, technologies to avoid droplets sticking to surfaces (superhydrophobicity), technologies to ensure droplets stick to surfaces (material adhesion and 3D printing), metal processing (casting, welding, & soldering), nanostructured solid-fluid hybrid materials for next-generation energy storage devices, and the forefront scientific questions of the emerging field of nanofluidics. Research in these fields is vast, but largely experimental, and the thermodynamically rigorous approach that could help has typically been applied only to relatively unsophisticated systems containing a single component, having ideal phases and uncomplicated geometries, and lacking other practical complexities such as surface roughness. Long-term Vision: My research program develops new fundamental thermodynamic principles and equations that can best model and predict the complex real-world fluids in today's forefront engineering materials, systems, and processes. The developed theory is anchored and validated with high-quality experimental data. Building on my internationally-recognized expertise, this program trains the next generation of world-leading thermodynamicists. Five-year Objectives: 1. Advance multicomponent equations of state for: i) liquid-vapour surface tensions and ii) liquid-liquid interfacial tensions (surface/interfacial tensions are required for all predictions of systems with curved fluid interfaces), and iii) electrolyte solution thermodynamics (electrolytes are salts that dissociate into ions in solution and govern diverse processes from oil recovery to electricity flow in energy storage devices). 2. Advance theoretical descriptions of wetting (wetting is the study of how a fluid spreads across a solid surface or another fluid), specifically addressing fluid interface pinning on rough solid surfaces and complex wetting in liquid-liquid-vapour and liquid-liquid-liquid systems. 3. Advance theoretical descriptions of multicomponent fluid phase equilibria in nanoporous solids. The major outcome of this research will be the proposal, development, and validation of new broadly applicable mathematical equations. It has been said that, "A picture says a thousand words"; I like to say that, "An equation draws a thousand pictures." This research will introduce novel predictive capabilities that apply broadly across areas of forefront science and technology, leading to advances in surface science, nanoscience, environmental science, oil production, and materials processing and design.

具有弯曲流体界面（液滴、气泡或固体孔隙内两种流体之间的界面张力）的系统无处不在。弯曲流体界面效应决定了大量环境和工业过程、新技术和前沿科学的行为。示例性系统包括云滴、用于工业泡沫浮选分离的气泡、控制从地球中的纳米多孔固体储层中提高油采收率的流体悬浮液、避免液滴粘附到表面的技术（超疏水性），确保液滴粘附在表面的技术（材料粘合和3D打印），金属加工（铸造、焊接和钎焊）、用于下一代能量存储设备的纳米结构固-液混合材料以及新兴纳米流体领域的前沿科学问题。在这些领域的研究是巨大的，但主要是实验性的，和严格的方法，可以帮助通常只适用于相对简单的系统包含一个单一的组成部分，具有理想的阶段和简单的几何形状，并缺乏其他实际的复杂性，如表面粗糙度。长期愿景：我的研究项目开发了新的基本热力学原理和方程，可以最好地模拟和预测当今最前沿的工程材料，系统和工艺中复杂的现实世界流体。开发的理论锚定和高质量的实验数据验证。基于我国际公认的专业知识，该计划培养下一代世界领先的化学家。五年目标：1。先进的多组分状态方程：i）液体-蒸汽表面张力和ii）液体-液体界面张力（表面/界面张力是所有具有弯曲流体界面的系统的预测所必需的），以及iii）电解质溶液热力学（电解质是在溶液中解离成离子的盐，并控制从石油回收到能量存储设备中的电流的各种过程）。2.润湿的先进理论描述（润湿是研究流体如何在固体表面或另一种流体上扩散），特别是解决粗糙固体表面上的流体界面钉扎以及液-液-汽和液-液-液系统中的复杂润湿。3.纳米多孔固体中多组分流体相平衡的理论描述。 这项研究的主要成果将是提出，开发和验证新的广泛适用的数学方程。有人说，“一张图片说一千个单词”;我喜欢说，“一个方程画了一千张图片。“这项研究将引入新的预测能力，广泛应用于前沿科学和技术领域，从而推动表面科学，纳米科学，环境科学，石油生产以及材料加工和设计的进步。