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Catalyst Development for Methanol Synthesis Using Parallel Reactors for High-throughput Screening Based on a 96 Well Microplate System

机译:基于96孔微板系统的平行反应器甲醇合成催化剂的高通量筛选

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摘要

The combinatorial approach is widely used for homogeneous and heterogeneous catalyst development.The main key technologies are "combinatorial chemistry (CC)" for material preparation and "high-throughput screening (HTS)" for rapid assay using automated and/or robotic equip9ment.A HTS reactor with 96 parallel lines was designed and manufactured to optimize the Cu-Zn catalyst for methanol synthesis.A neural network (NN) was constructed from the "catalyst composition-activity" dataset obtained by the HTS reactor.The catalyst composition was op9timized by a genetic algorithm combined with the trained NN.Active Cu-Zn catalysts for methanol synthesis under CO_2 rich syngas were discovered by these combinatorial tools.
机译:组合方法广泛用于均相和非均相催化剂的开发。主要的关键技术是用于材料制备的“组合化学(CC)”和用于使用自动化和/或机器人设备进行快速测定的“高通量筛选(HTS)”。设计并制造了具有96条平行线的HTS反应器,以优化用于甲醇合成的Cu-Zn催化剂。根据HTS反应器获得的“催化剂组成-活性”数据集,构建了神经网络(NN)。利用这些组合工具,发现了在富CO_2合成气下甲醇合成甲醇的活性Cu-Zn催化剂。

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