Automated kinetics measurement for homogeneous photocatalytic reactions in continuous microflow

Yujie Wang , Jian Li , Xuze Chen , Weiping Zhu , Xuhong Guo , Fang Zhao
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Abstract

Photocatalytic reactions, achieving chemical synthesis in a more sustainable manner than thermal reactions, have been demonstrated to become more efficient, greener and easier to scale up when combined with continuous microflow technology. Nevertheless, the report on the kinetics measurement for photocatalytic reactions in continuous microflow, especially in a fully automated way, is very rare. In this work, two challenging parameters, i.e., the reaction order with respect to oxygen (2.48) and photoreaction activation energy (-16.83 kJ/mol) of the photocatalytic oxidation of 9,10-diphenylanthracene, were acquired in an automated continuous flow platform using the Steady-state Method. Moreover, the Ramping Method was also successfully implemented in the automated continuous flow photoreaction platform, exhibiting a predictive accuracy of 4.42 %, with 64.3 % less time and 58.0 % less material consumption than the Steady-state Method. And it was found that the improvement in the residence time distribution of the microreactor could improve the accuracy of the Ramping Method. The automated continuous flow process developed in this work could offer an efficient and accurate way to attain the reaction kinetics information for homogeneous photocatalytic reactions.

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连续微流中均相光催化反应的自动动力学测量
与热反应相比,光催化反应能以更可持续的方式实现化学合成,与连续微流技术相结合后,光催化反应已被证明更高效、更环保、更易于推广。然而,在连续微流中进行光催化反应动力学测量,尤其是全自动测量的报告却非常罕见。在这项工作中,利用稳态法(Steady-state Method)在自动化连续流平台上获得了 9,10-二苯基蒽光催化氧化反应的两个挑战性参数,即相对于氧气的反应阶次(2.48)和光反应活化能(-16.83 kJ/mol)。此外,还在自动连续流光反应平台上成功实施了斜坡法,与稳态法相比,预测精度达到了 4.42%,所用时间和材料消耗分别减少了 64.3% 和 58.0%。研究还发现,改善微反应器的停留时间分布可以提高斜坡法的准确性。本研究中开发的自动连续流工艺可为均相光催化反应提供高效、准确的反应动力学信息。
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Artificial intelligence chemistry
Artificial intelligence chemistry Chemistry (General)
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