Reactor performance estimation in microscale flow calorimeter for rapid characterization of exothermic reactions

IF 2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY
Timothy Aljoscha Frede, Nick Nikbin, Norbert Kockmann
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引用次数: 0

Abstract

Continuous flow calorimeters are a promising tool in process development and safety engineering, especially for flow chemistry applications to characterize the heat release and kinetic parameters of rapid chemical reactions. In this study, the digital accompaniment of an isoperibolic flow calorimeter for characterization of exothermic reactions is presented. To support experimental planning and evaluation, computational fluid dynamic simulations are carried out for single-phase flow in the microreactor. The residence time distribution is obtained and used for estimation of conversion and temperature profiles along the microreactor channel. This leads to an integration of CFD simulations into the calorimeter’s software-guided workflow reducing the experimental effort regarding the determination of thermokinetic data. The approach is tested for a highly exothermic test reaction, which provides further hints for future investigations.

Abstract Image

用于放热反应快速表征的微尺度流动量热计反应器性能评估
连续流量热计在工艺开发和安全工程中是一种很有前途的工具,特别是在流动化学应用中,用于表征快速化学反应的热释放和动力学参数。在这项研究中,提出了用于表征放热反应的等循环流量量热计的数字伴奏。为了支持实验规划和评估,对微反应器内的单相流动进行了计算流体动力学模拟。得到了停留时间分布,并用于估计微反应器通道的转化和温度分布。这使得CFD模拟集成到量热计的软件指导工作流程中,减少了关于确定热力学数据的实验工作。该方法进行了高放热测试反应的测试,为未来的研究提供了进一步的线索。
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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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