Development of iron based oxidation catalysts for the after-treatment of diesel exhaust gases

本研究旨在有针对性地开发用于柴油尾气中一氧化碳和碳氢化合物氧化的新型氧化铁催化剂。技术目标是取代柴油氧化催化剂中存在的贵金属，这些贵金属因原材料有限的自然丰度而增加了成本。该项目由库雷蒂教授(Freiberg)、鲍尔教授(Paderborn)和优美科公司(Hanau)共同合作，在库雷蒂教授前期研究成果的基础上，采用基于知识的方法设计了高负载高活性孤立氧化铁物种的新型氧化铁催化剂。优美科公司在相关试验条件下进行了工业放大，并对有前景的催化剂进行了评价。除了将知识从学术研究转移到工业发展之外，该项目还涉及一氧化碳氧化的基本原理。这项基本研究意味着开发分析工具，以详细描述孤立的铁氧原子位置，重点放在基于同步的方法、机制和动力学研究以及基本的动力学平均场模型上。这些研究包括具有孤立铁氧物种的明确定义的模型催化剂，以及从开发过程中获得的最佳催化剂。所建立的动力学模型旨在为CO氧化提供分子方面的见解，并用于UMICore生产的原型催化剂的设计，并最终在真实柴油尾气中进行测试。

The intended research addresses the targeted development of novel iron oxide catalysts for the oxidation of carbon monoxide and hydrocarbons in diesel exhaust. The technical aim is the substitution of the precious metals present in diesel oxidation catalysts, which suffer from increasing costs associated with limited natural abundance of the raw materials. The project is a joint cooperation of Prof. Kureti (Freiberg), Prof. Bauer (Paderborn) and Umicore company (Hanau).Based on results of previous research project of Prof. Kureti novel iron oxide catalysts with high load of highly active isolated iron oxo species are designed by following a knowledge-based approach. Promising catalysts are industrially up-scaled and evaluated under relevant test conditions at Umicore company. In addition to this transfer of knowledge from academic research to industrial development, the project also deals with the fundamentals of the oxidation of CO. This basic research implies the development of analytical tools for the detailed characterisation of isolated iron oxo sites with focus on synchroton-based methods, mechanistic and kinetic studies as well as elementary kinetic mean field modelling. These studies include a well-defined model catalyst with isolated iron oxo species as well as the best catalyst obtained from the development process. The kinetic model constructed aims to provide molecular insights into the CO oxidation and is also used for the design of the prototype catalyst produced and finally tested in real diesel exhaust by Umicore.