CAREER: Influence of Pressure on Surfactant Thermodynamics and Transport

职业：压力对表面活性剂热力学和传输的影响

• 批准号: 1847140
• 负责人: Nicolas Alvarez
• 金额: $ 50.04万
• 依托单位: Drexel University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2019
• 资助国家: 美国
• 起止时间: 2019-03-01 至 2025-02-28
• 项目状态: 未结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1847140&HistoricalAwards=false
• 关键词: CAREER; Influence; Pressure; Surfactant; Thermodynamics

Water is a desirable and important solvent for many reasons. Water has low toxicity, low vapor pressure, and high solubility for many compounds. However, water is becoming increasingly limited and expensive as a resource. For example, we currently use more than 2 million gallons of water for each hydraulically fracked well, which requires costly water treatment to remove contaminants. This is equivalent to 40,000 baths, an amount of water that is raising serious concern in arid American states. Due to these environmental concerns, the use of supercritical CO2 fracking fluids is an important research area. Supercritical CO2 systems have extraordinary potential to reduce water use and greatly reduce the environmental impact of current and next-generation industrial processes. In many of these processes, molecules called surfactants are also vital to their use. Surfactants lower the surface tension between two liquids or between a liquid and a solid. Surfactants affect the transport of fluids in these complex environments involving oil, water, gases, and solids. However, very little is known regarding their effect at high pressure. This lack of understanding is slowing major strides in the use of CO2 as a "green" alternative solvent in separations, in chemical reactions, medical device fabrication, and hydrocarbon fracking fluids. The principal investigator has recently developed and demonstrated an instrument to accurately measure properties of surfactants at high pressure interfaces and surfaces and understand how chemical structure influences performance. This award will focus on developing thermodynamic and transport models describing surfactant interfacial activity at high pressure interfaces via a newly developed high pressure microtensiometer and analysis technique. Model parameterization will result from analyzing static and dynamic interfacial tension data of various surfactants at various interfaces as a function of pressure and temperature. This work will be highly facilitated by a time scale analysis taking into account the effect of interfacial curvature, surfactant concentration, and bulk fluid flow, which allows for the distinction between kinetic and diffusion transport mechanisms. Several chemistry/performance correlations are expected. For example, quantification of partition coefficients in various phases will determine the preferential solubility of different chemical structures and their applicability in high pressure processes. Interfacial rheology studies will allow for better understanding of foam and emulsion stability as a function of chemical structure and interfacial activity. A theoretical framework that combines kinetic theories and thermodynamic equations of state models will guide design of improved molecular architectures. The model parameters generated by this work will allow for (1) a deeper understanding of surfactant thermodynamics at elevated pressures (2) a direct correlation between transport parameters and surfactant structure and ultimately (3) correlation between molecular structure and performance in industrial applications. Educationally, this funded work in partnership with the Lindy Scholars Program and the Upper Darby School District, will develop a STEM CAREER path building program involving five diverse elementary/middle schools. In collaboration with the Louis Stokes-Alliance for Minority Participation, we will introduce and prepare under-represented minorities for research training during their Drexel tenure. Lastly, the PI will hold annual industrial workshops, inviting local industries, to share in recent discoveries and experimental findings in an effort to build collaboration and increase the dissemination of fundamental knowledge and understanding.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.

由于许多原因，水是理想的和重要的溶剂。 水具有低毒性、低蒸气压和对许多化合物的高溶解度。 然而，水作为一种资源正变得越来越有限和昂贵。例如，我们目前每口水力压裂井使用超过200万加仑的水，这需要昂贵的水处理来去除污染物。 这相当于40，000个浴缸，这一水量在干旱的美国各州引起了严重关注。由于这些环境问题，超临界CO2压裂流体的使用是一个重要的研究领域。超临界CO2系统具有非凡的潜力，可以减少水的使用，并大大减少当前和下一代工业过程对环境的影响。 在许多这些过程中，被称为表面活性剂的分子对它们的使用也至关重要。 表面活性剂降低两种液体之间或液体与固体之间的表面张力。 表面活性剂影响流体在这些复杂环境中的传输，包括油、水、气体和固体。然而，人们对它们在高压下的作用知之甚少。 这种缺乏了解正在减缓将CO2用作分离、化学反应、医疗器械制造和烃压裂液中的“绿色”替代溶剂的重大进展。首席研究员最近开发并演示了一种仪器，可以准确测量表面活性剂在高压界面和表面的性能，并了解化学结构如何影响性能。该奖项将侧重于通过新开发的高压微张力计和分析技术开发描述高压界面处表面活性剂界面活性的热力学和传输模型。模型参数化将通过分析各种表面活性剂在各种界面处的静态和动态界面张力数据作为压力和温度的函数而产生。这项工作将非常方便的时间尺度分析考虑到界面曲率，表面活性剂浓度，和散装流体流量，这使得动力学和扩散传输机制之间的区别的影响。预期存在几种化学/性能相关性。例如，在不同相中分配系数的量化将确定不同化学结构的优先溶解度及其在高压过程中的适用性。界面流变学的研究将允许更好地了解泡沫和乳液稳定性作为化学结构和界面活性的函数。结合动力学理论和热力学状态方程模型的理论框架将指导改进的分子结构的设计。通过这项工作产生的模型参数将允许（1）更深入地了解表面活性剂在高压下的热力学（2）传输参数和表面活性剂结构之间的直接相关性，最终（3）分子结构和工业应用中的性能之间的相关性。在教育方面，这项资助工作与林迪学者计划和上达比学区合作，将制定一个涉及五所不同小学/中学的STEM职业道路建设计划。在与路易斯·斯托克斯少数民族参与联盟合作，我们将介绍和准备代表性不足的少数民族在他们的德雷克塞尔任职期间的研究培训。最后，PI还将举办年度工业研讨会，邀请当地企业分享最新的发现和实验成果，以加强合作，促进基础知识和理解的传播。该奖项反映了NSF的法定使命，通过使用基金会的知识价值和更广泛的影响审查标准进行评估，被认为值得支持。

项目成果

A novel scCO2 dyeing strategy for superior coloration of UHMWPE fiber

• DOI: 10.1016/j.polymer.2023.125873
• 发表时间: 2023-03
• 期刊: Polymer
• 影响因子: 4.6
• 作者: Yao Zhou;T. A. Lima;Z. Hinton;C. Henry;Madhu Anand;N. Alvarez

Surface tensions at elevated pressure depend strongly on bulk phase saturation

高压下的表面张力很大程度上取决于体相饱和度

• DOI: 10.1016/j.jcis.2021.02.114
• 发表时间: 2021
• 期刊: Journal of Colloid and Interface Science
• 影响因子: 9.9
• 作者: Hinton, Zachary R.;Alvarez, Nicolas J.
• 通讯作者: Alvarez, Nicolas J.

A molecular parameter to scale the Gibbs free energies of adsorption and micellization for nonionic surfactants

用于衡量非离子表面活性剂吸附和胶束化吉布斯自由能的分子参数

• DOI: 10.1016/j.colsurfa.2020.125622
• 发表时间: 2021
• 期刊: Colloids and Surfaces A: Physicochemical and Engineering Aspects
• 作者: Hinton, Zachary R.;Alvarez, Nicolas J.
• 通讯作者: Alvarez, Nicolas J.

Influence of central sidechain on self-assembly of glycine-x-glycine peptides

中心侧链对甘氨酸-x-甘氨酸肽自组装的影响

• DOI: 10.1039/d2sm01082h
• 发表时间: 2023
• 期刊: Soft Matter
• 影响因子: 3.4
• 作者: Thursch, Lavenia J.;Lima, Thamires A.;O’Neill, Nichole;Ferreira, Fabio F.;Schweitzer-Stenner, Reinhard;Alvarez, Nicolas J.
• 通讯作者: Alvarez, Nicolas J.

Surface-tension effects in oscillatory squeeze flow rheometry

振荡挤压流流变测定中的表面张力效应

• DOI: 10.1063/5.0072869
• 发表时间: 2021
• 期刊: Physics of Fluids
• 影响因子: 4.6
• 作者: Barakat, J. M.;Hinton, Z.;Alvarez, N. J.;Walker, T. W.
• 通讯作者: Walker, T. W.