1.Colors of chemical reaction engineering models Kinetic models of chemical reactions are a crucial asset for understanding and optimizing chemical processes[1].These models are critical for reactor design,process opt...1.Colors of chemical reaction engineering models Kinetic models of chemical reactions are a crucial asset for understanding and optimizing chemical processes[1].These models are critical for reactor design,process optimization,catalyst design,scale-up,and process control,making them indispensable in the chemical industry.Kinetic models predict the change in temperature and concentration of the relevant species,given an actual concentration and temperature.Reaction predictions are made by integrating the kinetic model with a reactor model,which accounts for external constraints,such as flow,inlet concentration。展开更多
By combining machine learning with the design of experiments,thereby achieving so-called active machine learning,more efficient and cheaper research can be conducted.Machine learning algorithms are more flexible and a...By combining machine learning with the design of experiments,thereby achieving so-called active machine learning,more efficient and cheaper research can be conducted.Machine learning algorithms are more flexible and are better than traditional design of experiment algorithms at investigating processes spanning all length scales of chemical engineering.While active machine learning algorithms are maturing,their applications are falling behind.In this article,three types of challenges presented by active machine learning—namely,convincing the experimental researcher,the flexibility of data creation,and the robustness of active machine learning algorithms—are identified,and ways to overcome them are discussed.A bright future lies ahead for active machine learning in chemical engineering,thanks to increasing automation and more efficient algorithms that can drive novel discoveries.展开更多
基金Yannick Ureel and Maarten Dobbelaere acknowledge financial support from the Fund for Scientific Research Flanders(FWO Flanders)respectively through doctoral fellowship grants(1185822N and 1S45522N)The authors acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation programme/ERC(818607).
文摘1.Colors of chemical reaction engineering models Kinetic models of chemical reactions are a crucial asset for understanding and optimizing chemical processes[1].These models are critical for reactor design,process optimization,catalyst design,scale-up,and process control,making them indispensable in the chemical industry.Kinetic models predict the change in temperature and concentration of the relevant species,given an actual concentration and temperature.Reaction predictions are made by integrating the kinetic model with a reactor model,which accounts for external constraints,such as flow,inlet concentration。
基金financial support from the Fund for Scientific Research Flanders(FWO Flanders)through the doctoral fellowship grants(1185822N,1S45522N,and 3F018119)funding from the European Research Council(ERC)under the European Union’s Horizon 2020 research and innovation programme(818607)。
文摘By combining machine learning with the design of experiments,thereby achieving so-called active machine learning,more efficient and cheaper research can be conducted.Machine learning algorithms are more flexible and are better than traditional design of experiment algorithms at investigating processes spanning all length scales of chemical engineering.While active machine learning algorithms are maturing,their applications are falling behind.In this article,three types of challenges presented by active machine learning—namely,convincing the experimental researcher,the flexibility of data creation,and the robustness of active machine learning algorithms—are identified,and ways to overcome them are discussed.A bright future lies ahead for active machine learning in chemical engineering,thanks to increasing automation and more efficient algorithms that can drive novel discoveries.
