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Contributions to the kinetics of the iodide–iodate test reaction for micromixing time calculation with extended incorporation models
Chemical Engineering Science ( IF 4.1 ) Pub Date : 2021-02-23 , DOI: 10.1016/j.ces.2021.116549
Elias Arian , Werner Pauer

In order to characterize the efficiency of micromixing in chemical reactors, Villermaux used a borate buffer in the reaction system named after him. For micromixing time calculations, kinetic data of the Dushman reaction are essential. The choice of the acid and the influence of the salt on the reaction rate constant has led to a debate on the kinetics of the Dushman reaction. In the present work, a comprehensive kinetic study was performed to obtain the reaction rate equation of the Dushman reaction. A fifth-order rate equation with the partial reaction rate orders: H+ 2; IO3- 1; I- 2 could be confirmed.

Furthermore, the influence of ionic strength μ was investigated using sodium perchlorate as the ion source. The reaction rate constant k for the Dushman reaction was determined as a function of the ionic strength k=k0·fDushman logfDushman=-1.93(±0.06)·μ1+μ+0.40±0.02·μ.

The impact of the newly obtained reaction rate constant on micromixing time calculations was investigated using the incorporation model. It could be shown, that micromixing times can differ by a power of ten depending on the chosen reaction rate constant. Moreover, an extension of the incorporation model for sulphuric acid is provided, which includes the acid dissociation constants. This model unites the obtained reaction rate constant from this work and the equilibrium reactions of sulphuric acid. Micromixing experiments can now be performed independent of the acid choice, since similar micromixing times are calculated.

According to the CLP Regulation and REACH, boric acid is classified as toxic for reproduction. Therefore, non-toxic chemicals have recently been preferred which has led to the implementation of a phosphate buffer by Pinot et al. and Baqueiro et al. This has risen questions about the definition of the segregation index and micromixing time calculations. Comprehensive micromixing time calculations have been performed with an extended incorporation model for a phosphate buffer. The results suggest that both HPO42- and H2PO4- species only take partially part in the acid–base reaction.



中文翻译:

扩展掺入模型对微混合时间计算中碘化物-碘酸盐测试反应动力学的贡献

为了表征化学反应器中微混合的效率,Villermaux在以他命名的反应系统中使用了硼酸盐缓冲液。对于微混合时间的计算,Dushman反应的动力学数据是必不可少的。酸的选择和盐对反应速率常数的影响引发了关于杜什曼反应动力学的争论。在目前的工作中,进行了全面的动力学研究,以获得了杜什曼反应的反应速率方程。具有部分反应速率阶数的五阶速率方程:H+ 2; 一世Ø3-- 1; 一世-- 2个可以确认。

此外,离子强度的影响 μ用高氯酸钠作为离子源进行了研究。反应速率常数ķ Dushman反应的离子强度被确定为离子强度的函数 ķ=ķ0·FdüsH一个ñ 日志FdüsH一个ñ=--1.93±0.06·μ1个+μ+0.40±0.02·μ

使用引入模型研究了新获得的反应速率常数对微混合时间计算的影响。可以看出,取决于选择的反应速率常数,微混合时间可以相差十次方。此外,提供了硫酸结合模型的扩展,其中包括酸解离常数。该模型将通过这项工作获得的反应速率常数与硫酸的平衡反应结合在一起。现在可以进行微混合实验,而与酸的选择无关,因为可以计算出相似的微混合时间。

根据CLP法规和REACH,硼酸被归类为有毒生殖物质。因此,近来优选无毒的化学物质,这导致Pinot等人实施了磷酸盐缓冲剂。和Baqueiro等。这引起了关于偏析指数的定义和微混合时间计算的质疑。使用磷酸盐缓冲液的扩展掺入模型可以进行全面的微混合时间计算。结果表明,两者HPØ42个--H2个PØ4-- 物种仅部分参与酸碱反应。

更新日期:2021-03-17
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