Insights into the nucleation mechanism of N2O bubble during the oxidation of alcohol-ketone oil by nitric acid in microreactors

IF 3.8 3区 工程技术 Q3 ENERGY & FUELS Chemical Engineering and Processing - Process Intensification Pub Date : 2024-11-20 DOI:10.1016/j.cep.2024.110074
Hui-Long Wei , De-Tao Pan , Hu Li , Zheng-Hong Luo
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Abstract

The nucleation mechanism of N2O bubble during the oxidation of alcohol-ketone mixtures (K/A oil) by nitric acid in microreactors was investigated through modeling approach. A comprehensive mathematical model was developed, taking into account detailed reaction kinetics, Helmholtz free energy theory and gas-liquid mass transfer process, and subsequently implemented by self-programming. This model successfully calculated the critical bubble nucleation radius under homogeneous, heterogeneous, and quasi-classical nucleation assumptions, with validation against experimental results. Additionally, the evolution of bubble diameter along axial location under different flow velocities and temperatures was investigated through the established model. This work can provide valuable insights for designing continuous flow tubular reactors with effective control over bubble sizes.

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对硝酸在微反应器中氧化醇酮油过程中 N2O 气泡成核机制的见解
通过建模方法研究了硝酸在微反应器中氧化醇酮混合物(K/A 油)过程中 N2O 气泡的成核机理。在考虑了详细的反应动力学、亥姆霍兹自由能理论和气液传质过程后,建立了一个全面的数学模型,并通过自编程实现了该模型。该模型成功地计算了在均相、异相和准经典成核假设条件下的临界气泡成核半径,并与实验结果进行了验证。此外,建立的模型还研究了不同流速和温度下气泡直径沿轴向位置的演变。这项研究为设计可有效控制气泡大小的连续流管式反应器提供了宝贵的见解。
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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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