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

IF 2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Journal of Flow Chemistry Pub Date : 2022-08-08 DOI:10.1007/s41981-022-00240-2
Shuai Guo, Guang-kai Zhu, Le-wu Zhan, Bin-dong Li
{"title":"Kinetics and safeties of 2-Ethyl-1-hexanol nitration in a capillary-microreactor","authors":"Shuai Guo,&nbsp;Guang-kai Zhu,&nbsp;Le-wu Zhan,&nbsp;Bin-dong Li","doi":"10.1007/s41981-022-00240-2","DOIUrl":null,"url":null,"abstract":"<div><p>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.</p><h3>Graphical abstract</h3>\n <figure><div><div><div><picture><source><img></source></picture></div></div></div></figure>\n </div>","PeriodicalId":630,"journal":{"name":"Journal of Flow Chemistry","volume":"12 3","pages":"285 - 296"},"PeriodicalIF":2.0000,"publicationDate":"2022-08-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"2","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Flow Chemistry","FirstCategoryId":"92","ListUrlMain":"https://link.springer.com/article/10.1007/s41981-022-00240-2","RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
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

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
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
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
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.
期刊最新文献
Rapid and practical synthesis of N-protected amino ketones in continuous flow via pre-deprotonation protocol Expedited access to β-lactams via a telescoped three-component Staudinger reaction in flow Efficient “One-Column” grignard generation and reaction in continuous flow Two deep learning methods in comparison to characterize droplet sizes in emulsification flow processes Enhanced emulsification process between viscous liquids in an ultrasonic capillary microreactor: mechanism analysis and application in nano-emulsion preparation
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1