NSERC-DFG Sustain: Towards Computational Design of Hydrocarbon-Based Catalyst Coated Membranes for Polymer Electrolyte Membrane Water Electrolysis (ComDeWE)

ComDeWE项目的目的是利用阿尔伯塔大学(U Alberta)的数值多尺度模拟工具，以及弗莱堡大学(U Freiburg)、德国航空航天中心(DLR)、西蒙·弗雷泽大学(Simon Fraser University)和阿尔伯塔大学(U Alberta)的原位和非原位制造和表征工具，设计具有新型负载型电催化剂的最佳全烃质子交换膜电解槽。该项目将重点利用申请者开发的五项技术来创建一种概念验证全碳氢化合物PEMWE。这些是：a)霍尔德克罗夫特博士在SFU的碳氢膜专长和在SFU、U Freiburg和U Alberta开发的催化剂层制造技术；b)DLR的新型负载型电催化剂；c)U Alberta、U Freiburg和SFU开发的分级电极喷墨打印和超声喷雾电极制造工具；d)在DLR开发的分段PEMWE硬件，以研究当地的电流密度和温度分布；e)验证和使用在U Alberta和DLR开发的微观和宏观尺度的数值模拟工具，以发现最佳的膜和电极厚度及电极组成。到目前为止，所有关于将碳氢化合物材料集成到PEMWE的CCM中的研究都是由乏味的实验试错推动的。根据假设，由于这些膜具有非常不同的特性(例如，更高的质子传导性、更少的气体渗透和更大的溶胀)，因此需要更全面的方法来分析和设计它们。利用新型负载型催化剂还需要更全面的电极设计方法。这项建议利用了这些设施在最先进实验室设备方面的长期研究活动和投资，以及SFU、UFreiburg、UAlberta和DLR之间以前的合作。国际合作解决了为PEM电解槽开发合适材料的挑战。

The aim of the project ComDeWE is to design optimal wholly hydrocarbon proton exchange membrane electrolysis (PEMWE) cells with novel supported electrocatalyst by taking advantage of the numerical multi-scale modelling tools at the University of Alberta (U Alberta), and in-situ and ex-situ fabrication and characterization tools at the University of Freiburg (U Freiburg), German Aerospace Center (DLR), Simon Fraser University (SFU) and the U Alberta. The project will focus on leveraging five technologies developed by the applicants to create a proof-of-concept wholly hydrocarbon PEMWE. These are: a) hydrocarbon based membrane expertise from Dr. Holdcroft at SFU and catalyst layer fabrication techniques developed at SFU, U Freiburg and U Alberta; b) novel supported electrocatalysts from DLR; c) graded-electrode enabling inkjet printing and ultrasonic spray electrode fabrication tools at U Alberta, U Freiburg and SFU; d) segmented PEMWE hardware developed at DLR to study local current density and temperature distribution; and, e) the validation and use of micro- and macro-scale numerical simulation tools developed at U Alberta and DLR for discovering the optimal membrane and electrode thickness as well as electrode composition. To date, all research related to the integration of hydrocarbon-based materials to CCMs for PEMWE has been driven by tedious experimental trial-and-error. It is hypothesized that, because of the very different characteristics of these membranes (e.g., higher proton conductivity, reduced gas crossover and increased swelling), a more holistic approach to their analysis and design is required. Taking advantage of novel supported catalyst also requires a more holistic approach to electrode design. This proposal leverages the long history of research activities and investments in state-of-the-art laboratory equipment at these facilities as well as previous collaborations between SFU, UFreiburg, UAlberta and DLR. The international collaboration addresses the challenges of developing suitable materials for PEM electrolyzers.