SimPol: Simulation tools for design and application of renewable polymers

SimPol：可再生聚合物设计和应用的仿真工具

• 批准号: 10054921
• 金额: $ 81.61万
• 依托单位: UNILEVER U.K. CENTRAL RESOURCES LIMITED
• 依托单位国家: 英国
• 项目类别: Launchpad
• 财政年份: 2023
• 资助国家: 英国
• 起止时间: 2023 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=10054921
• 关键词: SimPol; Simulation; tools; design; application

To move the home care products industry to more resource efficient and sustainable products, a major programme of new ingredient discovery and replacement is required. In SimPol we will specifically target the replacement of petrochemical-derived acrylate rheology control polymers with renewable polymers for use in laundry detergents.Polymer and formulation design are major bottlenecks in innovation for manufactured goods such as laundry detergents. Polymers have multiple variables which can be tailored to change the polymer properties and there can be 20 or more ingredients in a given laundry formulation, any of which may interact in ways which are currently difficult to predict. New polymers also need to biodegrade when released into the environment to avoid undesirable chemical accumulation.SimPol will deploy leading-edge digital methods to help scientists design new functional and biodegradable polymers, and to predict their interactions in laundry detergent formulations.Outcomes from the project will include:1.Synthesis of candidate renewable polymers which will be tested in formulations to confirm the validity of the digital predictions2.Packaged digital protocols made available via an App that scientists can use in future polymer development projects3.A case study of the application of digital tools to new material and formulation designSimpol will impact on the Liverpool City Region manufacturing cluster by developing novel 100% renewable and biodegradable polymers which would be manufactured in the region by Croda at their plant in Ditton, Widnes. These would displace imported acrylate polymers currently used in laundry detergent manufacturing by Unilever at their Port Sunlight factory. SimPol will also leave a powerful legacy, the SimPol App, an easy to use and interface connected to powerful simulation technologies, for further polymer discovery for other applications and products.

为了使家庭护理产品行业转向资源效率更高和更可持续的产品，需要一个新成分发现和替代的重大计划。在SimPol中，我们的目标是用可再生聚合物替代石化产品中的丙烯酸酯流变控制聚合物，用于洗衣粉。聚合物和配方设计是洗衣粉等制成品创新的主要瓶颈。聚合物具有多个变量，可以定制这些变量以改变聚合物特性，并且在给定的洗衣制剂中可以存在20种或更多种成分，其中任何一种成分都可以以目前难以预测的方式相互作用。新的聚合物在释放到环境中时也需要生物降解，以避免不良的化学积累。SimPol将部署领先的数字方法，帮助科学家设计新的功能性和可生物降解的聚合物，并预测它们在洗衣粉配方中的相互作用。该项目的成果将包括：1.候选可再生聚合物的合成，将在配方中进行测试，以确认数字预测的有效性2.通过应用程序提供的打包数字协议，科学家可以在未来使用聚合物开发项目3.数字化工具应用于新材料和配方设计的案例研究Simpol将通过开发新型100%可再生和可生物降解聚合物来影响利物浦城市地区的制造业集群，这些聚合物将由禾大在其位于威德尼斯迪顿的工厂在该地区生产。这将取代目前联合利华在其Port Sunlight工厂生产洗衣粉所使用的进口丙烯酸酯聚合物。SimPol还将留下一个强大的遗产，SimPol App，一个易于使用的界面，连接到强大的模拟技术，为其他应用和产品的进一步聚合物发现。