A Novel Internet-Based Reaction Monitoring, Control and Autonomous Self-Optimization Platform for Chemical Synthesis

被引：153

作者：

Fitzpatrick, Daniel E. ^{[1
]}

Battilocchio, Claudio ^{[1
]}

Ley, Steven V. ^{[1
]}

机构：

[1] Univ Cambridge, Dept Chem, Innovat Technol Ctr, Lensfield Rd, Cambridge CB2 1EW, England

来源：

ORGANIC PROCESS RESEARCH & DEVELOPMENT | 2016年 / 20卷 / 02期

基金：

英国工程与自然科学研究理事会;

关键词：

ORGANIC-SYNTHESIS; PROCESS WINDOWS; FLOW; SYSTEM; INTELLIGENT;

D O I：

10.1021/acs.oprd.5b00313

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

We have developed a modular software system that enables researchers to monitor and control chemical reactions-via the Internet, using any device from any location in the world. It facilitates the automation of synthetic procedures and is able to autonomously self optimize reaction parameters to find the best conditions meeting customizable, multicomponent optimization functions. In this report, we demonstrate its utility as applied to reaction automation to maximize the output from a fixed volume of catalyst. We also showcase its ability to optimize a three-dimensional heterogeneous catalytic reaction and a five-dimensional Appel reaction against various target functions.

引用

收藏

页码：386 / 394

页数：9

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