Self-optimisation and model-based design of experiments for developing a C-H activation flow process.
Self-optimisation and model-based design of experiments for developing a C-H activation flow process.
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DOI：
10.3762/bjoc.13.18
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发表时间：
2017
影响因子：
2.7
通讯作者：
Lapkin A
中科院分区：
文献类型：
--
作者：
Echtermeyer A;Amar Y;Zakrzewski J;Lapkin A
最近描述的C（sp3）-H活化反应合成氮杂环丙烷被用作模型反应，以证明开发一个过程模型的方法，使用基于模型的实验设计（MBDoE）和自优化方法的流程。这两种方法进行了比较的实验效率。自优化方法需要最少的实验次数，以达到指定的目标的成本和产品的产量，而MBDoE的方法，使一个过程模型的快速生成。
A recently described C(sp3)–H activation reaction to synthesise aziridines was used as a model reaction to demonstrate the methodology of developing a process model using model-based design of experiments (MBDoE) and self-optimisation approaches in flow. The two approaches are compared in terms of experimental efficiency. The self-optimisation approach required the least number of experiments to reach the specified objectives of cost and product yield, whereas the MBDoE approach enabled a rapid generation of a process model.