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Direct oxidation of propylene to propylene oxide using combinatorial methods.

机译：使用组合方法将丙烯直接氧化为环氧丙烷。

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Combinatorial method is a very effective tool for discovery, development and optimization of a desired material. The method was applied to selective oxidation of propylene to propylene oxide (PO), which is one of the most essential feedstock in petrochemical industry. Direct oxidation of propylene by oxygen in gas phase was performed, in atmospheric pressure and at a temperature range of 150°C∼350°C, feed gas with 20,000 GHSV, 40% propylene, 10% oxygen, and balance helium. Most of the commercially available metals on the periodic table were impregnated on various support materials including alumina, ceria, silica, titania, and zirconia. Multi-metallic catalysts were also investigated, with varying compositions. Parameters to be optimized in this project include operating conditions, namely reaction temperature, feed gas composition and concentration, as well as catalyst properties, such as supported element and its loading level, and support materials. In the first stage, preliminary screening of the periodic table was performed, with discovery of some lead elements. PO yield and selectivity was significantly improved by addition of promoters, and the highest yield achieved was 5∼10 times as high as the original lead catalysts. Other than catalytic activity such as PO yield, propylene and oxygen conversion, and PO selectivity as parameters of investigation, activation energy, extent of combustion process, was examined as secondary information to evaluate the material and analyze the underlying mechanisms of the reaction. With progressive data collection and analysis through high-throughput screening, catalytic database concerning gas phase oxidation of propylene was established, starting from "scratch," where such comprehensive information was non-existent. From primary to secondary screening and to the last stage of optimization, the result had made revolutionary improvement, an order of a magnitude difference.
机译：组合方法是用于发现，开发和优化所需材料的非常有效的工具。该方法用于将丙烯选择性氧化为环氧丙烷（PO），这是石油化工行业中最重要的原料之一。在大气压下和在150°C至350°C的温度范围内，含有20,000 GHSV，40％丙烯，10％氧气和平衡氦气的进料气中，通过气相氧气直接氧化丙烯。周期表上大多数可商购的金属都浸渍在各种载体材料上，包括氧化铝，二氧化铈，二氧化硅，二氧化钛和氧化锆。还研究了具有不同组成的多金属催化剂。在该项目中要优化的参数包括操作条件，即反应温度，进料气组成和浓度，以及催化剂特性，例如负载的元素及其负载量，以及负载材料。在第一阶段，对元素周期表进行了初步筛选，并发现了一些先导元素。通过加入促进剂可以显着提高PO的收率和选择性，达到的最高收率是原始铅催化剂的5-10倍。除催化活性（如PO收率，丙烯和氧的转化率以及PO选择性作为研究参数）外，还考察了活化能，燃烧过程的程度，作为评估材料和分析反应机理的辅助信息。通过逐步收集数据并通过高通量筛选进行分析，从不存在此类全面信息的“划痕”开始，建立了有关丙烯气相氧化的催化数据库。从初次筛选到二次筛选，再到优化的最后一个阶段，结果均取得了革命性的改进，幅度相差一个数量级。

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