3D printed scaffolds for catalytic hydrogenation reactions in flow

用于流动催化氢化反应的 3D 打印支架

• 批准号: 2754262
• 金额: --
• 依托单位: Imperial College London
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2022
• 资助国家: 英国
• 起止时间: 2022 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2754262
• 关键词: 3D; printed; scaffolds; catalytic; hydrogenation

In this project, new catalytic reactors will be designed using topological optimization approaches which consider multi-physics effects such as heat/mass transfer coupled with chemical kinetics (using COMSOL Multiphysics). A range of different architectures will be investigated, depending on the parameters that need to be optimised. 3D printing will be performed using different metals on a Concept Laser mLab cusing direct metal laser sintering machine, available in the Department of Mechanical Engineering at Imperial College. Here, laser sintering parameters can be controlled to introduce bulk porosity into the scaffold structures, with X-ray computed tomography used to measure the resulting microstructural properties of the reactors. Hydrogenation studies will be carried out in flow using a Phoenix Flow Reactor, available at ROAR, which allows easy variation of the reaction parameters such as temperature, pressure, flow rate etc. Hydrogenation reactions will be optimised in terms of activity and product selectivity. In the example shown above, hydrogenation proceeds stepwise form NEC to H12-NEC, via intermediates H4- and H8-NEC, all with their individual hydrogenation kinetics. Hydrogenation reactions will be extended to other substrates such as DBT or entirely novel LOHC substrates. While aspects of flow dynamics are incorporated with the COMSOL software, an optional aspect of the project is modelling of the flow dynamics in the system using CFD, in order to optimize the design of the support. This would be suitable for students with a chemical engineering background and experience in CFD modelling.

在该项目中，将使用拓扑优化方法设计新的催化反应器，这些方法考虑了多物理效应，例如热/传质和化学动力学（使用COMSOL多物理学）。根据需要优化的参数，将研究一系列不同的体系结构。 3D打印将使用概念激光MLAB插座上的不同金属进行直接金属激光烧结机，该机械工程学系可用于帝国学院的机械工程系。在这里，可以控制激光烧结参数，以将散装孔隙率引入支架结构，并使用X射线计算机断层扫描来测量反应器的显微结构性能。氢化研究将在流动中进行流量进行，可在咆哮处获得，该反应器可轻松地改变反应参数，例如温度，压力，流速等。氢化反应将在活动和产品选择性方面进行优化。在上面显示的示例中，氢化通过中间体H4-和H8-NEC逐步发展为NEC，均及其单个氢化动力学进行。氢化反应将扩展到其他底物，例如DBT或完全新颖的LOHC底物。尽管流动动力学的各个方面与Comsol软件合并，但该项目的一个可选方面是使用CFD对系统中的流动动力学进行建模，以优化支持的设计。这适合具有化学工程背景和CFD建模经验的学生。