Optimization of Cu oxide catalysts for methanol synthesis by combinatorial tools using 96 well microplates, artificial neural network and genetic algorithm
Optimization of Cu oxide catalysts for methanol synthesis by combinatorial tools using 96 well microplates, artificial neural network and genetic algorithm
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使用 96 孔微孔板、人工神经网络和遗传算法的组合工具优化用于甲醇合成的氧化铜催化剂
DOI：
10.1016/j.cattod.2004.02.001
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发表时间：
2004
期刊：
影响因子：
5.3
通讯作者：
M. Yamada
中科院分区：
文献类型：
--
作者：
Y. Watanabe;T. Umegaki;Masahiko Hashimoto;K. Omata;M. Yamada
由合成气合成甲醇的紧凑且经济的工艺需要在低压和低温下具有活性的新型催化剂。组合的方法，包括高压高通量筛选（HTS）反应器系统，人工神经网络（NN），和遗传算法（GA）的催化剂的开发。在HTS反应器系统中使用各种96个微板用于制备和活性测试，以同时处理96个催化剂样品。活动测试结果被用作神经网络的训练数据。训练后，神经网络可以映射催化剂活性作为催化剂组成和催化剂制备参数的函数。遗传算法被用来作为一种优化工具，以找到最大的催化剂活性在训练的人工神经网络。由于甲醇合成催化剂（Cu-Zn-Al-Sc-B-Zr）的最佳组成通常受制备条件和反应条件的影响，因此在压力（1 MPa）下同时对催化剂的组成、焙烧温度和沉淀剂的用量进行了优化。最佳催化剂组成为Cu/Zn/Al/Sc/B/Zr=43/17/23/11/0/6，用2.2倍当量的草酸制备，在605 K下焙烧。活性（427 g-MeOH/kg-cat./ h）远高于工业催化剂（250 g-MeOH/kg-cat./ h）1MPa，498K。
Compact and economic processes for methanol synthesis from syngas demand a new catalyst that is active under low-pressure and low temperature. Combinatorial approach comprising a high-pressure high-throughput screening (HTS) reactor system, an artificial neural network (NN), and a genetic algorithm (GA) was applied for the catalyst development. A variety of 96 microplates were used in the HTS reactor system for both preparation and activity testing to handle 96 catalyst samples simultaneously. Activity test results were used as training data for NN. After training, the NN can map catalyst activity as a function of catalyst composition and parameters for catalyst preparation. GA was used as an optimization tool to find maximum catalyst activity in the trained artificial neural network. Composition of methanol synthesis catalyst (Cu–Zn–Al–Sc–B–Zr), calcination temperature and the amount of precipitant were optimized simultaneously under pressure (1MPa) because optimum catalyst composition is usually affected by both preparation and reaction conditions. The composition of the optimum catalyst was Cu/Zn/Al/Sc/B/Zr=43/17/23/11/0/6 prepared using 2.2 times the equivalent of oxalic acid and calcined at 605K. The activity (427g-MeOH/kg-cat./h) was much higher than that of industrial catalyst (250g-MeOH/kg-cat./h) at 1MPa, 498K.
遗传联系、生物联系
DOI：
--
发表时间：
2018
期刊：
影响因子：
--
作者：
下山 晴彦;佐藤 隆夫;本郷 一夫;石丸 径一郎;Ken-ichi Nanbu;日比野由利
通讯作者：
日比野由利
Cu、Ni和Fe纳米线氧化形成氧化物纳米管
DOI：
--
发表时间：
2009
期刊：
影响因子：
--
作者：
松林玄;仲村龍介;中嶋英雄;土谷博昭;藤本慎司
通讯作者：
藤本慎司