Enhanced production of Pirfenidone through a microfluidic system: A novel and thorough chemical kinetics investigation

IF 3.8 3区 工程技术 Q3 ENERGY & FUELS Chemical Engineering and Processing - Process Intensification Pub Date : 2024-08-04 DOI:10.1016/j.cep.2024.109928
Farzad Bastan, Mohammad Kazemeini
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Abstract

Batch and continuous systems were fabricated to synthesize Pirfenidone (PFD). Effects of parameters on reaction yield including; microreactors, micromixer, solvents, temperature, reaction time, and catalysts were understudied. Moreover, FTIR, NMR and HPLC analyses used to evaluate the prepared PFD. Its yield in microfluidic (30.5 %) was higher than that of batch (17.1 %) reactor. Besides, reaction yield in the presence of DMSO was higher than DMF in both reactors. It was shown that, adding a micromixer enhanced reaction time. leading to a higher PFD yield. Nonetheless, the yield was reduced by enhancing the temperature when DMF was utilized. Additionally, the traditional synthesis method of PFD in a batch system, which reached a yield of 53.7 % after 19 h, now reached 30.5 % in a microreactor under similar conditions within 40 min. Utilizing the Design Expert Software, the results revealed a maximum overall reaction yield of 31 % achieved at reactant ratio of K2CO3 to 2‑hydroxy-5-methylpyridine of 7, Temperature of 160 °C and reaction time of 60 min completely matching the experimental results. Ultimately, kinetics of PFD was understudied incorporating a Molecular Dynamic Software where a new 3-steps mechanism was proposed. Moreover, a power law model revealed an empirical reaction order of 1.45.

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通过微流控系统提高吡非尼酮的产量:新颖而全面的化学动力学研究
为合成吡非尼酮(PFD)制造了间歇式和连续式系统。研究了微反应器、微搅拌器、溶剂、温度、反应时间和催化剂等参数对反应产率的影响。此外,傅立叶变换红外光谱、核磁共振和高效液相色谱分析用于评估制备的 PFD。微流控反应器的产率(30.5%)高于间歇反应器的产率(17.1%)。此外,两种反应器在 DMSO 存在下的反应产率均高于 DMF。结果表明,添加微搅拌器可以延长反应时间,从而提高 PFD 产率。然而,当使用 DMF 时,温度升高会降低产率。此外,在批处理系统中合成 PFD 的传统方法在 19 小时后的产率为 53.7%,而在微反应器中,在类似条件下,40 分钟内的产率就达到了 30.5%。利用设计专家软件,结果显示在反应物 K2CO3 与 2-羟基-5-甲基吡啶的比例为 7、温度为 160 °C、反应时间为 60 分钟时,总反应产率最高可达 31%,与实验结果完全吻合。最后,利用分子动力学软件对 PFD 的动力学进行了深入研究,提出了一种新的三步机理。此外,幂律模型显示经验反应顺序为 1.45。
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来源期刊
CiteScore
7.80
自引率
9.30%
发文量
408
审稿时长
49 days
期刊介绍: Chemical Engineering and Processing: Process Intensification is intended for practicing researchers in industry and academia, working in the field of Process Engineering and related to the subject of Process Intensification.Articles published in the Journal demonstrate how novel discoveries, developments and theories in the field of Process Engineering and in particular Process Intensification may be used for analysis and design of innovative equipment and processing methods with substantially improved sustainability, efficiency and environmental performance.
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