文献类型：期刊文献

英文题名：Unlocking dynamics of compact methanol reformers during on-line catalyst activation using transient computational fluid dynamics simulation

作者：Qiu, Runfa[1];Li, Didi[1];Zhang, Wenhao[1];Cao, Chenxi[2];Zhu, Minghui[1]

机构：[1]East China Univ Sci & Technol, Sch Chem Engn, State Key Lab Chem Engn, Shanghai, Peoples R China;[2]East China Univ Sci & Technol, Key Lab Smart Mfg Energy Chem Proc, Minist Educ, Shanghai, Peoples R China

年份：2023

卷号：69

期号：12

外文期刊名：AICHE JOURNAL

收录：;EI(收录号：20233414620585);WOS:【SCI-EXPANDED(收录号:WOS:001051237200001)】；

基金：National Key R & D Program of China, Grant/Award Number: 2022YFB3805504; National Natural Science Foundation of China, Grant/Award Numbers: 22078089, 62273149; Shanghai Special Program for Fundamental Research, Grant/Award Number: 22TQ1400100-7; The Basic Research Program of Science and Technology Commission of Shanghai Municipality, Grant/Award Number: 22JC1400600; SINOPEC, Grant/Award Number: 421056; Joint Innovation Plan in Shanghai's Heavy Gas Turbine Field

语种：英文

外文关键词：catalyst activation; hydrogen; methanol reforming; reduction kinetics; transient CFD

摘要：On-board methanol reforming is a practical solution to supply hydrogen for fuel cell vehicles (FCVs). For commonly employed Cu-based reforming catalysts, activation has a profound influence on subsequent reaction performance. However, tailoring of this process at the reformer level has received little research attention. Herein, we present the dynamics of compact methanol reformers with Cu/ZnO/Al2O3 catalysts during in situ H-2/N-2 pre-activation as a preliminary step of online catalyst activation by computational fluid dynamics simulations. Raising inlet temperatures or hydrogen fractions is demonstrated to accelerate activation while generating a high-temperature band within the catalyst bed, which hampers effective activation. Increasing the reductant flow rates improves the homogeneity of activation thanks to enhanced convective heat and mass transfer. Notably, we revealed that inlet reductants exceeding 453 K trigger temperature runaway that may severely damage the reformer. These new insights will enlighten optimization of operation and control of on-board methanol reforming for FCVs.