当前位置: X-MOL 学术Catal. Today › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Cobalt-nickel bimetallic Fischer-Tropsch catalysts: A combined theoretical and experimental approach
Catalysis Today ( IF 5.2 ) Pub Date : 2019-03-06 , DOI: 10.1016/j.cattod.2019.03.001
Pieter van Helden , Frans Prinsloo , Jan-Albert van den Berg , Bongani Xaba , Willem Erasmus , Michael Claeys , Jan van de Loosdrecht

The low temperature Fischer-Tropsch (FT) synthesis reaction is commercially performed on either Fe- or Co-based systems, while Ni-based systems are not considered due to a poor selectivity profile. This study focuses on alternative bimetallic catalytic materials for FT in which both Co and Ni are present. Co-Ni based alloys have been identified as a possible FT synthesis catalyst through a separate, DFT based computational chemistry screening approach of various bimetallic alloys based on the similarity of their underlying calculated electronic structures to that of Co. Based on this screening result and a cost filtering, several supported catalysts have been prepared with varying Co:Ni ratios. These catalysts have been characterised with various techniques (TPR, EDS, EELS, Magnetic measurements) to assess whether these catalysts indeed show Co-Ni alloy formation. These materials were also tested for FT synthesis activity, showing that the selectivities of the Co-Ni alloys are similar to that of pure Co up to a nickel content of 25%. It was also concluded that the computational screening approach can be used to execute predictive metal screening.



中文翻译:

钴镍双金属费-托催化剂:理论和实验相结合的方法

低温费-托(FT)合成反应可在基于Fe或Co的系统上进行商业化,而由于选择性差,因此不考虑基于Ni的系统。这项研究集中于同时存在Co和Ni的FT替代双金属催化材料。钴镍基合金已经通过各种双金属合金基于其潜在的计算电子结构与钴相似性的分离,基于DFT的计算化学筛选方法被确定为可能的FT合成催化剂。出于成本过滤的考虑,已经制备了几种具有不同Co:Ni比的负载型催化剂。这些催化剂已通过多种技术进行了表征(TPR,EDS,EELS,磁性测量)以评估这些催化剂是否确实显示出Co-Ni合金的形成。还测试了这些材料的FT合成活性,表明在镍含量达到25%时,Co-Ni合金的选择性与纯Co的选择性相似。还得出结论,计算筛选方法可用于执行预测性金属筛选。

更新日期:2019-12-11
down
wechat
bug