Molecular Systems Engineering of High-Value Structured and Formulated Products

分子系统工程的研究重点是开发方法和工具，以便在分子相互作用发挥核心作用的应用中设计出更好的产品和工艺。到目前为止，我们已经开发了一项成功的活动，主要集中在大规模的气液过程上。这项提议的一个战略目标是跃升到更具挑战性的高价值制造领域，在那里，配方产品和结构化产品盛行。基本的物理知识、数学模型和数值方法的结合是我们方法的基石。它允许我们减少对经验法则的依赖，这些经验法则传统上被用来使模型易于处理，但有效性有限。这种方法的成功在很大程度上取决于利用分子建模和过程工程之间的协同作用的能力，正如我们在设计从天然气中捕获二氧化碳的新过程中所展示的那样。我们的调查团队和RAS将处于理想的地位，以克服高价值产品和流程带来的挑战，这要归功于它目前的专业知识，我们在打破跨学科工作障碍方面所做的投资，以及平台赠款提供的新技能、连续性和灵活性。平台资助的一个压倒一切的目标是快速跟踪参与其中的个人研究人员的职业生涯。支持研究人员的职业生涯一直是我们研究方法的核心。这笔赠款将赋予我们一种独特的能力，通过为我们提供资源和临界数量来实施更有条理的发展方案，从而进一步推动这一进程。

The focus of research in Molecular Systems Engineering is the development of methods and tools for the design of better products and processes in applications where molecular interactions play a central role. To date we have developed a successful activity focussed mostly on large-scale gas-liquid processes. A strategic objective of this proposal is to make a leap to the more challenging high-value manufacturing arena, where formulated and structured products are prevalent. The combination of fundamental physical understanding, mathematical models, and numerical methods is the cornerstone of our approach. It allows us to reduce our dependence on rules-of-thumb which have traditionally been used to make models tractable but which have a limited validity. The success of this approach is strongly dependent upon the ability to exploit the synergies between molecular modelling and process engineering, as we have demonstrated in the design of novel processes for carbon dioxide capture from natural gas. Our team of investigators and RAs will be ideally positioned to overcome the challenges posed by high-value products and processes thanks to its current expertise, the investment we have made in breaking down the barriers to interdisciplinary work, and the new skills, continuity and flexibility afforded by a platform grant. An overriding objective of the platform grant is to fast-track the careers of the individual researchers involved. Supporting the careers of researchers has always been central to our approach to research. This grant will give us a unique ability to push this further by providing us with the resources and critical mass to put in place a more structured development programme.