Integral Design of Non-Toxic Surfactants for Industrial Applicants

工业应用无毒表面活性剂的整体设计

• 批准号: 2103922
• 金额: --
• 依托单位: University of Bath
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2018
• 资助国家: 英国
• 起止时间: 2018 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2103922
• 关键词: Integral; Design; Non; Toxic; Surfactants

Surfactants are chemicals that increase solubility and dispersion of hydrocarbons and oils and they are widely used in detergents and other cleaning products. After use, they are discharged into sewage systems or directly into surface waters, ending up dispersed in the environment polluting the water, the soil and other sediments. The toxic effects of surfactants on various aquatic organisms are well known. Thus, non-toxic and biodegradable surfactants are required to decrease their final impact on current water resources. This PhD project aims to design environmentally friendly surfactants through its computational modelling and experimental validation by both synthesis and toxicity analysis. Recently, a computational/experimental methodology for the design of surfactants based on surface tension and surface excess measurements was published (Herdes et al. Journal of Colloid and Interfacial Science, 445, 2015, 16-23). The PhD will capitalise on this methodology and will move the research line forward. Different surfactants will be designed and evaluated via the existing computational tools. It is expected that the most promising modelled surfactant will be synthesised, at partners research groups, for the validation of their predicted characteristics. The experimental component of the presented project will retro-feed the novel molecular simulation for the design of surfactants and it is expected that the PhD student will provide assistance with the synthesis. Along the PhD project, a database relating surfactant building blocks, structures and toxicity will be compiled. Linking together the computational and experimental components would be the main challenge of this project. Unilever might be interested in this database and it can be a potential target as an industrial collaborator. This PhD project is in line with the following EPSRC research theme: Engineering, because the nature of the project is to stimulate creativity and strengthen cross-disciplinary connections both across engineering and within the basic sciences. Furthermore, the aim of the project is to shape a research methodology so that it is better integrated with societal challenges. This is matched by one of the key objectives within the vision of EPSRC for engineering capability.

表面活性剂是增加碳氢化合物和油的溶解度和分散性的化学物质，它们被广泛用于洗涤剂和其他清洁产品中。使用后，它们被排入污水系统或直接排入地表水，最终分散在污染水、土壤和其他沉积物的环境中。表面活性剂对各种水生生物的毒性作用是众所周知的。因此，需要无毒和可生物降解的表面活性剂来减少它们对当前水资源的最终影响。这个博士项目旨在通过计算模型和合成和毒性分析的实验验证来设计环境友好的表面活性剂。最近，一种基于表面张力和表面过剩测量来设计表面活性剂的计算/实验方法被发表（Herdes等人）。无机材料学报，2015,33(2):557 - 557。博士学位将利用这种方法，并将研究方向向前推进。不同的表面活性剂将通过现有的计算工具进行设计和评估。预计最有希望的模拟表面活性剂将在合作研究小组合成，以验证其预测的特性。该项目的实验部分将为表面活性剂的设计提供新的分子模拟，并期望博士研究生将在合成方面提供帮助。在博士项目的过程中，将建立一个有关表面活性剂组成块、结构和毒性的数据库。将计算和实验组件连接在一起将是这个项目的主要挑战。联合利华可能对这个数据库感兴趣，它可能是一个潜在的目标，作为一个工业合作伙伴。这个博士项目符合EPSRC的研究主题：工程，因为这个项目的本质是激发创造力，加强跨工程和基础科学的跨学科联系。此外，该项目的目的是塑造一种研究方法，使其更好地与社会挑战相结合。这与EPSRC工程能力愿景中的一个关键目标相匹配。