Kinetics and safeties of 2-Ethyl-1-hexanol nitration in a capillary-microreactor

IF 2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY
Shuai Guo, Guang-kai Zhu, Le-wu Zhan, Bin-dong Li
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引用次数: 2

Abstract

The nitration reaction and purification process of 2-Ethyl-1-hexanol is highly hazardous and characterized by severe thermal instability. Therefore, appropriate safety and kinetics studies are needed to promote safe synthesis in chemical production. However, obtaining accurate kinetic data is challenging due to its fast, highly exothermic, and heterogeneous characteristics. In this study, we obtained reaction kinetic parameters of 2-Ethyl-1-hexanol in a capillary-microreactor at different sulfuric acid concentrations and temperatures and calculated the per-exponential factor and activation energy. The thermal stability of 2-Ethylhexyl nitrate in mixed acids was determined by differential scanning calorimetry. Computational Fluid Dynamics was used to simulated the temperature distribution inside the capillary-microreactor for a T-shaped structure based on the kinetic and thermal stability data. The results show that even small-scale reaction tubes produce hot spots in the reactor inlet region in an isothermal environment. Under adiabatic conditions, the temperature inside the capillary is close to the decomposition temperature of the acid mixture. Therefore, the thermal safety of nitration reactions, even in small-scale microreactor systems, cannot be ignored. The results of this study have important implications for the industrial process design and safety for highly-exothermic reactions.

Graphical abstract

Abstract Image

毛细管微反应器中2-乙基-1-己醇硝化动力学及安全性
2-乙基-1-己醇的硝化反应和提纯过程具有危险性大、热不稳定性强的特点。因此,需要进行适当的安全性和动力学研究,以促进化学生产中的安全合成。然而,由于其快速、高度放热和非均相的特点,获得准确的动力学数据是具有挑战性的。在本研究中,我们得到了2-乙基-1-己醇在不同硫酸浓度和温度下在毛细管微反应器中的反应动力学参数,并计算了指数因子和活化能。用差示扫描量热法测定了硝酸2-乙基己基在混合酸中的热稳定性。基于毛细管微反应器的动力学和热稳定性数据,采用计算流体力学方法模拟了t型结构毛细管微反应器内的温度分布。结果表明,在等温环境下,即使是小型反应管也会在反应器入口区域产生热点。在绝热条件下,毛细管内温度接近酸混合物的分解温度。因此,即使在小型微反应器系统中,硝化反应的热安全性也不容忽视。本研究结果对高放热反应的工业工艺设计和安全性具有重要意义。图形抽象
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来源期刊
Journal of Flow Chemistry
Journal of Flow Chemistry CHEMISTRY, MULTIDISCIPLINARY-
CiteScore
6.40
自引率
3.70%
发文量
29
审稿时长
>12 weeks
期刊介绍: The main focus of the journal is flow chemistry in inorganic, organic, analytical and process chemistry in the academic research as well as in applied research and development in the pharmaceutical, agrochemical, fine-chemical, petro- chemical, fragrance industry.
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