Water as synthetic reaction medium: realising its green chemistry credential

水作为合成反应介质：实现绿色化学证书

• 批准号: EP/S013768/1
• 负责人: Bao Nguyen
• 金额: $ 111.08万
• 依托单位: University of Leeds
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2019
• 资助国家: 英国
• 起止时间: 2019 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FS013768%2F1
• 关键词: Water; synthetic; reaction; medium; realising

This project aims to deliver the underpinning tools and design principles to support the use of water as a reaction media in High Value Chemical Manufacture. Water has long been promoted as an environmentally friendly and safe 'green' reaction media for synthetic processes which can lead to much more sustainable and cost effective manufacturing process. Nevertheless, the green credential of water has been limited due to issues related to organic contamination of the water waste stream, cost of subsequent treatment and the often required organic solvents at purification stage.Water-accelerated reactions, i.e. reactions which proceed faster in water than in organic solvents and wherein organic reactants and products form hydrophobic droplets, are potential game-changers High Value Chemical Manufacture. They benefit from accelerated rates, improved productivity and much improved green metrics through reduction in the use of organic solvents. Their current limitations are: (i) a limited pool of known reactions; (ii) lack of suitable equipment and process understanding; and (iii) insufficient understanding of acceleration effects which can guide discovery and process design.This project will address these knowledge gaps and deliver the following critical outputs, identified through discussion with our industrial partners in chemical industry sector: (i) a wider range of synthetically useful water-accelerated reactions, (ii) multi-scale batch and flow reactors to support the scale-up pathway for water-accelerated processes, (iii) standardised protocols for characterising such processes and basic process understanding for scaling up, and (iv) streamlined workup/product purification and recycling of water to truly deliver green processes. These outputs will have transformative impacts in the chemical manufacture industry, delivering lower cost and better quality controlled processes through shorter routes, reduced organic waste and facile interfacing between chemo- and biocatalytic processes.

该项目旨在提供基础工具和设计原则，以支持在高价值化学品制造中使用水作为反应介质。长期以来，水一直被推广为用于合成工艺的环境友好且安全的“绿色”反应介质，这可以导致更可持续且成本有效的制造工艺。然而，由于废水流中的有机污染物、后续处理成本以及纯化阶段经常需要的有机溶剂等问题，水的绿色证书受到限制。水加速反应，即在水中进行的反应比在有机溶剂中进行的更快，其中有机反应物和产物形成疏水液滴，是高价值化学品制造的潜在游戏规则改变者。它们受益于加速的速率、提高的生产率和通过减少有机溶剂的使用而大大改进的绿色指标。它们目前的局限性是：（i）有限的已知反应池;（ii）缺乏合适的设备和工艺理解;以及（iii）对可以指导发现和工艺设计的加速效应的理解不足。该项目将解决这些知识差距，并通过与我们在化学工业领域的工业合作伙伴讨论确定以下关键产出：（i）更广泛的合成有用的水加速反应，（ii）多规模分批和流动反应器，以支持水加速工艺的放大途径，（iii）用于表征这种工艺的标准化方案和用于放大的基本工艺理解，和（iv）简化后处理/产品纯化和水的再循环，以真正实现绿色工艺。这些产出将对化学品制造业产生变革性影响，通过更短的路线，减少有机废物以及化学和生物催化工艺之间的便捷接口，提供更低的成本和更好的质量控制工艺。

项目成果

Machine learning with physicochemical relationships: solubility prediction in organic solvents and water.

• DOI: 10.1038/s41467-020-19594-z
• 发表时间: 2020-11-13
• 期刊: Nature communications
• 影响因子: 16.6
• 作者: Boobier S;Hose DRJ;Blacker AJ;Nguyen BN
• 通讯作者: Nguyen BN

Determining Phase Separation Dynamics with an Automated Image Processing Algorithm.

• DOI: 10.1021/acs.oprd.2c00357
• 发表时间: 2023-04-21
• 期刊: ORGANIC PROCESS RESEARCH & DEVELOPMENT
• 影响因子: 3.4
• 作者: Daglish, James;Blacker, A. John;de Boer, Gregory;Crampton, Alex;Hose, David R. J.;Parsons, Anna R.;Kapur, Nikil
• 通讯作者: Kapur, Nikil

Rationalizing and Adapting Water-Accelerated Reactions for Sustainable Flow Organic Processes.

• DOI: 10.1021/acssuschemeng.3c02164
• 发表时间: 2023-06-12
• 期刊: ACS SUSTAINABLE CHEMISTRY & ENGINEERING
• 影响因子: 8.4
• 作者: Maltby, Katarzyna A.;Sharma, Krishna;Short, Marc A. S.;Farooque, Sannia;Hamill, Rosalie;Blacker, A. John;Kapur, Nikil;Willans, Charlotte E.;Nguyen, Bao N.
• 通讯作者: Nguyen, Bao N.