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Molecular Migration in Complex Matrices: Towards Predictive Design of Structured Products

复杂基质中的分子迁移：结构化产品的预测设计

基本信息

批准号：
EP/P007864/1
负责人：
Mark Wilson
金额：
$ 131.84万
依托单位：
Durham University
依托单位国家：
英国
项目类别：
Research Grant
财政年份：
2017
资助国家：
英国
起止时间：
2017 至无数据
项目状态：
已结题

来源：
https://gtr.ukri.org/projects?ref=EP%2FP007864%2F1
关键词：
Molecular Migration Complex Matrices Towards

项目摘要

Many industrial formulations that form part of our daily lives are complex mixtures. These include food, hygiene and laundry products, paints, etc. In many of these systems small molecules migrating to and across interfaces (that are either exposed to atmosphere or buried in bulk) leads to undesired effects. These might include adhesive loss in hygiene products, poor flavour perception, and release of undesired chemicals to the atmosphere.This project is aimed at developing a software toolkit for understanding small molecule migration in complex fluid mixtures that have many ingredients. Our ambition is to go far beyond the very simple model systems for which molecular migration has previously been characterised, and to address the complexities that arise when migration occurs in products that have structure, or are evolving with time. This brings fascinating but subtle challenges which are not only stimulating fundamental problems, but underpin 'real world' issues such as shelf-life of detergent formulations, durability of coatings and even how our food tastes when we chew it. We have developed this proposal in close collaboration with 3 industrial partners (P&G, AkzoNobel and Mondelez) who represent three very different sectors of the consumer goods industry, yet have in common the need to control migration in structured products. Despite working on entirely different product ranges, scientists in these companies share a remarkable range of problems that can be addressed by answering 3 key questions:Q1. How does the depth profile of wetting layers and subsurface concentrations depend on bulk phase composition and molecular interactions?Q2. What is the surface structure resulting from lateral migration?Q3. What are the timescales and mechanisms associated with migration and formation of surface structures?We will tackle these questions for a variety of carefully defined model formulations to isolate influences of polarity, charge, hydrophobicity, elasticity and deformation, in a series of fundamental studies. The project will deliver fundamental science knowledge along with a predictive model toolkit, ready to be embedded in the research programmes of soft matter scientists and technologists. We will work with our industrial partners throughout the project to ensure successful implementation of these models to allow them to exploit this work in their R&D programmes, and make the deliverables available to wider downstream users through a supported software website and the National Formulation Centre. Solving these problems will pave the way to efficient formulations that offer reduced waste improved performance and stability in consumer goods.

我们日常生活中的许多工业配方都是复杂的混合物。这些包括食品，卫生和洗衣产品，油漆等。在许多这些系统中，小分子迁移到界面和跨界面（暴露于大气或大量掩埋）导致不希望的影响。这些可能包括卫生产品中的粘合剂损失，风味感知差，以及向大气中释放不需要的化学物质。该项目旨在开发一个软件工具包，用于了解具有许多成分的复杂流体混合物中的小分子迁移。我们的目标是远远超出分子迁移以前已经表征的非常简单的模型系统，并解决迁移发生在具有结构或随时间演变的产品中时出现的复杂性。这带来了迷人但微妙的挑战，不仅激发了基本问题，而且也是“真实的世界”问题的基础，例如洗涤剂配方的保质期，涂层的耐久性，甚至我们咀嚼食物时的味道。我们与3个工业合作伙伴密切合作开发了这一提案（宝洁、阿克苏诺贝尔和亿滋）代表着消费品行业的三个截然不同的部门，但它们都需要控制结构性产品的迁移。尽管研究的产品范围完全不同，但这些公司的科学家们都面临着一系列值得注意的问题，这些问题可以通过回答以下三个关键问题来解决：润湿层的深度分布和次表面浓度如何取决于体相组成和分子相互作用？Q2.横向迁移导致的地表结构是什么？Q3.与迁移和表面结构形成相关的时间尺度和机制是什么？我们将解决这些问题的各种精心定义的模型配方，以隔离极性，电荷，疏水性，弹性和变形的影响，在一系列的基础研究。该项目将提供基础科学知识沿着预测模型工具包，准备嵌入软物质科学家和技术人员的研究计划。我们将在整个项目中与我们的工业合作伙伴合作，以确保这些模型的成功实施，使他们能够在其研发计划中利用这项工作，并通过支持的软件网站和国家配方中心向更广泛的下游用户提供可交付成果。解决这些问题将为高效配方铺平道路，减少浪费，提高消费品的性能和稳定性。