Interfacial curvature of surfactants

表面活性剂的界面曲率

• 批准号: RGPIN-2014-04636
• 负责人: Acosta, Edgar
• 金额: $ 3.21万
• 依托单位: University of Toronto
• 依托单位国家: 加拿大
• 项目类别: Discovery Grants Program - Individual
• 财政年份: 2017
• 资助国家: 加拿大
• 起止时间: 2017-01-01 至 2018-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=637976
• 关键词: Interfacial; curvature; surfactants

The long-term goal of this interfacial curvature program is to develop a framework to predict the phase behaviour and dynamics of surfactant-oil-water (SOW) systems. This knowledge would enable using a chemical engineering approach (mass and energy balances, thermodynamics, reaction kinetics and transport phenomena) to design process and products that involve surfactants, including microemulsions, emulsions, suspensions, foams, and others. At the core of this program is the hydrophilic-lipophilic-difference (HLD) + net-average curvature (NAC) model, a semi-empirical equation of state for SOW systems. This grant application seeks support to advance the HLD-NAC framework in the following priority areas: supercriticial fluids, prediction of ternary phase diagrams (including polymers and liquid crystals), and the prediction of dynamic interfacial phenomena (solubilisation, interfacial tension and wetting). These priorities areas were identified in consultation with academic and industrial collaborators. The work on supercritical fluids is motivated in part by encouraging data from novel CO2 microemulsion stimulation of depleted oil reservoirs, CO2-based dry cleaning, and CO2 microemulsion synthesis of nanoparticles used in pharmaceutical applications. The behavior of these systems is highly non-linear and there are phase inversion changes that take place within narrow temperature and pressure intervals, leading to substantial changes in the performance of these technologies. The original HLD equation does not account for changes in pressure, thus the need for an alternative HLD based on molecular interactions that can account for changes in pressure and temperature and that could help engineer these CO2 microemulsion processes. The work on ternary phase diagrams was motivated by colleagues in the oil and gas industry, in the pharmaceutical and food industries, in the paint/coatings industry, and in the surfactant and detergents industry. Experimentally-obtained ternary phase diagrams are highly resource-intensive but they are the ultimate formulation tool for all these industries. The work on dynamic phenomena is motivated by the need to predict the efficiency of surfactant-based extraction processes (self-emulsified solvent injection, extractive solubilisation, solubilisation swings, extractive self-emulsification, and alkaline surfactant polymer flooding for tertiary oil recovery). Our recent work on emulsions showed that separation times could vary by as much as four orders of magnitude by simply changing the type of surfactant. We hypothesize that such drastic changes could also translate to other separation process, and their understanding and management will lead to more efficient processes. The work on the molecular basis of HLD and its application to supercritical systems will be undertaken by Mr. Boza-Troncoso (PhD candidate) who introduced and validated the integrated free energy model (IFEM) to predict the behaviour SOW systems. The work on ternary phase diagrams will be a team effort between Mrs. Zarate (PhD candidate) and Mr. Nouraei (PhD student). The work on interfacial dynamics will be undertaken by Mr. Stamitti (PhD applicant). Based on previous outcomes of this research program, we expect that the findings from these studies and the highly qualified personnel trained (4 PhDs and 10 or more undergraduates) will be in demand by companies involved in the production of nutraceuticals ($4 billion/year industry in Canada), in cosmetics and personal care products ($9 billion/year industry in Canada), in the pharmaceutical industry($20 billion/year industry in Canada), and in the oil and gas industry ($80 billion/year industry in Canada).

该界面曲率程序的长期目标是建立一个框架来预测表面活性剂-油水（SOW）体系的相行为和动力学。这些知识将使我们能够使用化学工程方法（质量和能量平衡，热力学，反应动力学和传输现象）来设计涉及表面活性剂的工艺和产品，包括微乳液，乳液，悬浮液，泡沫等。该计划的核心是亲水-亲脂-差异(HLD) +净平均曲率（NAC）模型，这是SOW系统的半经验状态方程。这项资助申请旨在支持HLD-NAC框架在以下优先领域的发展：超临界流体，三元相图（包括聚合物和液晶）的预测，以及动态界面现象（增溶，界面张力和润湿）的预测。这些优先领域是在与学术和工业合作者协商后确定的。超临界流体研究的动力部分来自于枯竭油藏的新型CO2微乳液增产、CO2基干洗和用于制药应用的CO2微乳液纳米颗粒合成等方面的数据。这些系统的行为是高度非线性的，并且在狭窄的温度和压力区间内发生相反转变化，导致这些技术的性能发生实质性变化。原来的HLD方程没有考虑到压力的变化，因此需要基于分子相互作用的替代HLD，可以考虑压力和温度的变化，并有助于设计这些CO2微乳液过程。三元相图的工作是由石油和天然气行业、制药和食品行业、油漆/涂料行业、表面活性剂和洗涤剂行业的同事们推动的。实验获得的三元相图是高度资源密集型的，但它们是所有这些行业的最终制定工具。研究动态现象的动机是为了预测基于表面活性剂的萃取工艺（自乳化溶剂注入、萃取剂增溶、增溶波动、萃取剂自乳化以及用于三次采油的碱性表面活性剂聚合物驱）的效率。我们最近对乳剂的研究表明，只要改变表面活性剂的类型，分离时间就可以改变多达四个数量级。我们假设这种剧烈的变化也可以转化为其他分离过程，对它们的理解和管理将导致更有效的过程。Boza-Troncoso先生（博士候选人）将负责HLD的分子基础及其在超临界系统中的应用，他介绍并验证了用于预测SOW系统行为的综合自由能模型（IFEM）。三元相图的工作将由Zarate女士（博士候选人）和Nouraei先生（博士生）共同完成。界面动力学方面的工作将由Stamitti先生（博士申请者）承担。根据该研究项目之前的结果，我们预计这些研究的结果和培养的高素质人才（4名博士和10名或更多本科生）将在涉及营养药品生产（加拿大40亿美元/年的行业）、化妆品和个人护理产品（加拿大90亿美元/年的行业）、制药行业（加拿大200亿美元/年的行业）的公司中得到需求。以及石油和天然气行业（加拿大每年800亿美元的行业）。