Design of an intelligent system for modeling and optimization of perovskite-type catalysts for catalytic reduction of NO with CO

IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Chemical Engineering Research & Design Pub Date : 2025-02-01 Epub Date: 2024-12-20 DOI:10.1016/j.cherd.2024.12.025
Ali Tarjomannejad , Parvaneh Nakhostin Panahi , Ali Farzi , Aligholi Niaei
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Abstract

In this paper, a hybrid artificial neural network-genetic algorithm (ANN-GA) method was applied to design and optimize a perovskite catalyst for the reduction of NO with CO. A series of perovskite-type oxides with the general formula of La1-xSrx(Cu1-yMny)1-αPdαO3 were investigated. Catalysts were synthesized via the sol-gel auto-combustion method. The effects of four design parameters (x, y, α, and calcination temperature) and reaction temperature as an operational variable on NO conversion were investigated by modeling the experimental data obtained in the experimental design. Based on the results, the optimum neural network architecture predicted NO conversion data with an acceptable level of correctness. The optimum neural network architecture was used as a capability function for the genetic algorithm to find the optimal catalyst. For catalyst optimization, the Pd mole fraction was set to 0.02. The values of other parameters in the optimum catalyst were as follows: Sr mole fraction of 0.175, Mn mole fraction of 0.596, and calcination temperature of 674.89°C. To investigate the structure, morphology, specific surface area, and reducibility, the catalysts were characterized by XRD, BET, H2-TPR, XPS, and SEM.
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钙钛矿型催化剂用CO催化还原NO的智能建模与优化系统设计
本文采用人工神经网络-遗传算法(ANN-GA)混合方法对钙钛矿型CO还原NO催化剂进行了设计和优化。研究了一系列通式为La1-xSrx(Cu1-yMny)1-α pd -α o3的钙钛矿型氧化物。采用溶胶-凝胶自燃烧法合成催化剂。通过对实验数据进行建模,考察了4个设计参数(x、y、α和煅烧温度)和反应温度作为操作变量对NO转化率的影响。在此基础上,优化后的神经网络结构预测NO转换数据的正确性达到可接受的水平。将最优神经网络结构作为遗传算法的能力函数来寻找最优催化剂。催化剂优化时,钯摩尔分数为0.02。最佳催化剂的其他参数为:Sr摩尔分数为0.175,Mn摩尔分数为0.596,煅烧温度为674.89℃。采用XRD、BET、H2-TPR、XPS和SEM对催化剂的结构、形貌、比表面积和还原性进行了表征。
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来源期刊
Chemical Engineering Research & Design
Chemical Engineering Research & Design 工程技术-工程:化工
CiteScore
6.10
自引率
7.70%
发文量
623
审稿时长
42 days
期刊介绍: ChERD aims to be the principal international journal for publication of high quality, original papers in chemical engineering. Papers showing how research results can be used in chemical engineering design, and accounts of experimental or theoretical research work bringing new perspectives to established principles, highlighting unsolved problems or indicating directions for future research, are particularly welcome. Contributions that deal with new developments in plant or processes and that can be given quantitative expression are encouraged. The journal is especially interested in papers that extend the boundaries of traditional chemical engineering.
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