Development of base-metal catalysed processes using electrochemical generation and recovery/recycle of catalysts

利用电化学生成和催化剂回收/再循环开发贱金属催化工艺

• 批准号: 2437377
• 金额: --
• 依托单位: University of Leeds
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2020
• 资助国家: 英国
• 起止时间: 2020 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2437377
• 关键词: Development; base; metal; catalysed; processes

Aims: This project will result in the development of novel base-metal catalysed processes using an industry 4.0 platform combining in-line analysis and algorithm control, with subsequent electrochemical removal of the metal from the product. Enhanced understanding and control of base-metal catalysis will enable a move away from precious metals, with electrochemical recovery/recycle allowing a more atom-efficient route to pharmaceutical and agrochemical products. Methodology:1. The integration and optimisation of in-line analysis within an electrochemical continuous flow platform for the synthesis and evaluation of base-metal catalysis. This will involve initial 'proof of concept' evaluation of the platform with established, readily-available catalysts or salts, progressing to industrially relevant catalysts. Following this, investigation of industrially relevant catalyst synthesis and subsequent evaluation in industrially-relevant processes will be undertaken. 2. The development of an in situ base-metal (catalyst) removal protocol. This will require the initial development with established electrochemical reaction waste and telescoping with the entire base-metal catalysed process. Subsequently, application of the developed protocol will be investigated with a range of base metals, leading to comparative studies with removal of precious metals (Pd/ Rd). There is the potential to apply this protocol to industrial waste streams during a placement with an industrial sponsor, pending discussion. 3. The development of an application-specific self-optimisation algorithm that can efficiently explore operating conditions of the electrochemical flow platform, to obtain the conditions that maximises the process' productivity, robustness and sustainability. This will involve development of existing algorithms via the incorporation of green metrics and catalyst metrics, expanding to discrete variable optimisation (e.g. solvents/ metal salts, process/ catalyst lifecycle analysis). Obtained data through these optimisations will be provided for reaction modelling to inform process control/ optimisation (e.g. for sites of metal, ligand binding/release on electrode; flow regimes within reactor). Impact:Industry-standard reaction screening platform - impact through potential uptake in industry, through journal publications and through the potential for others to come to Leeds to use the platform to screen reactions that are of interest to them. Enhanced understanding of base-metal catalysed processes - impact through industrial processes becoming more efficient and/or a move away from precious metals and through journal publications. Electrochemical recovery/recycle of metal catalysts - potential industrial impact through more efficient/lower cost removal of metals, more atom efficiency through recovery/reuse. Expected Deliverables:Integration and optimisation of in-line analysis within an electrochemical continuous flow platform for the synthesis and evaluation of base-metal catalysis. Electrochemical generation and screening of base-metal catalysts in a benchmark industrially relevant reaction to validate the platform. Electrochemical generation and screening of base-metal catalysts in more challenging industrially relevant reactions. Development of an in situ base-metal (catalyst) removal protocol. Development of an application-specific self-optimisation algorithm that can efficiently explore operating conditions of the electrochemical flow platform, to obtain the conditions that maximises the process' productivity, robustness and sustainability.

目的：该项目将使用联合在线分析和算法控制的行业4.0平台以及随后从产品中将金属从产品中删除了新型的基准金属催化过程。对碱基催化的理解和控制将使电化学恢复/回收允许更具原子和农业化学产品的途径，从而使碱金属催化能够转移到贵金属中。方法学：1。在电化学连续流平台中的列表分析的整合和优化，用于综合和评估碱基催化。这将涉及对平台的初始“概念证明”评估，并具有既定，易用的催化剂或盐，并发展为与工业相关的催化剂。此后，将在与工业相关的过程中对工业相关的催化剂合成和随后的评估进行调查。 2。开发原位基准（催化剂）去除方案。这将需要既定的电化学反应废物和望远镜的最初发展，并通过整个基准催化过程进行望远镜。随后，将使用一系列基础金属研究开发方案的应用，从而导致比较研究，并去除贵金属（PD/ RD）。在与工业赞助商的安置期间，有可能将该方案应用于工业废物流，等待讨论。 3.可以有效探索电化学流平台的运行条件的特定应用自动化算法的开发，以获得最大化流程的生产力，鲁棒性和可持续性的条件。这将涉及通过结合绿色指标和催化剂指标来开发现有算法，从而扩展为离散的可变优化（例如溶剂/金属盐，过程/催化剂生命周期分析）。通过这些优化获得的数据将提供用于反应建模，以告知过程控制/优化（例如，对于金属的位点，在电极上的配体结合/释放；反应堆内的流动状态）。影响：行业标准的反应筛选平台 - 通过行业潜在吸收，通过期刊出版物的影响以及其他人来利兹使用该平台筛查他们感兴趣的反应的潜力。对基本催化过程的了解增强了 - 通过工业流程的影响变得更加有效和/或远离贵金属和期刊出版物。金属催化剂的电化学回收/回收 - 通过更有效/较低的金属成本降低成本，通过恢复/再利用来提高原子效率，潜在的工业影响。预期的可交付成果：在电化学连续流平台内的列线分析的整合和优化，用于综合和评估碱基催化。基准与工业相关的反应中的基准催化剂的电化学产生和筛选以验证平台。在更具挑战性的工业相关反应中，电化学产生和筛选基本催化剂。开发原位基准（催化剂）去除方案。开发特定的应用自动化算法，该算法可以有效地探索电化学流平台的运行条件，以获得最大程度地提高过程的生产力，鲁棒性和可持续性的条件。