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测量扩散系数在反应器设计与模拟中的重要性。

The importance of measuring diffusion coefficients in reactor design and simulation.

作者信息

Taddeo Francesco, Ortona Ornella, Ciccarelli Donato, Tesser Riccardo, Grénman Henrik, Di Serio Martino, Russo Vincenzo, Paduano Luigi

机构信息

Department of Chemical Sciences, University of Naples Federico II Via Cintia IT-80126 Naples Italy

Laboratory of Industrial Chemistry and Reaction Engineering, Åbo Akademi Henrikinkatu 2 FI-20500 Turku/Åbo Finland.

出版信息

RSC Adv. 2025 May 13;15(20):15701-15711. doi: 10.1039/d5ra00669d. eCollection 2025 May 12.

DOI:10.1039/d5ra00669d
PMID:40365219
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12070269/
Abstract

Glucose is extensively employed to produce sorbitol through catalytic hydrogenation. In the process development, parameters such as fluid dynamic conditions, temperature, and diffusion coefficients must be evaluated. To optimize the production of sorbitol, it is necessary to know the diffusion coefficients of the reacting system. In this study, they were determined at different solute concentrations and temperatures. Diffusion coefficients can also be estimated using models, such as Wilke-Chang and Hayduk and Minhas correlations. The values between 25 °C and 45 °C are similar to the experimental data, while at 65 °C, both models significantly overestimate the experimental results. As for the ternary systems, at 25 °C, both glucose and sorbitol are essentially transported by their concentration gradient. Finally, simulations of reactors operating in laminar flow conditions were made, estimating the diffusion coefficients using the Wilke-Chang correlation and determining them experimentally, showing that the glucose conversion profile along the axis of the reactor was different.

摘要

葡萄糖通过催化氢化被广泛用于生产山梨醇。在工艺开发过程中,必须评估诸如流体动力学条件、温度和扩散系数等参数。为了优化山梨醇的生产,有必要了解反应体系的扩散系数。在本研究中,它们是在不同溶质浓度和温度下测定的。扩散系数也可以使用Wilke-Chang和Hayduk以及Minhas关联式等模型来估算。25℃至45℃之间的值与实验数据相似,而在65℃时,两个模型都显著高估了实验结果。至于三元体系,在25℃时,葡萄糖和山梨醇基本上都是通过它们的浓度梯度进行传输的。最后,对在层流条件下运行的反应器进行了模拟,使用Wilke-Chang关联式估算扩散系数并通过实验确定它们,结果表明沿反应器轴线的葡萄糖转化曲线是不同的。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c0ee/12070269/c9e89d32c336/d5ra00669d-f8.jpg
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本文引用的文献

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Study on the Solution and Variation Law of Diffusion Coefficient Based on the Numerical Simulation Optimization Method.基于数值模拟优化方法的扩散系数求解及变化规律研究
ACS Omega. 2024 Jan 11;9(3):3950-3961. doi: 10.1021/acsomega.3c08335. eCollection 2024 Jan 23.
2
Products of sugar beet processing as raw materials for chemicals and biodegradable polymers.甜菜加工产品作为化学品和可生物降解聚合物的原料。
RSC Adv. 2018 Jan 17;8(6):3161-3177. doi: 10.1039/c7ra12782k. eCollection 2018 Jan 12.
3
On the Importance of Choosing the Best Minimization Algorithm for the Determination of Ternary Diffusion Coefficients by the Taylor Dispersion Method.
关于为通过泰勒分散法测定三元扩散系数选择最佳最小化算法的重要性。
ACS Omega. 2017 Jun 23;2(6):2945-2952. doi: 10.1021/acsomega.7b00384. eCollection 2017 Jun 30.
4
Estimation of molecular diffusivity in liquid phase systems by the Wilke-Chang equation.通过威尔克-张方程估算液相体系中的分子扩散系数。
J Chromatogr A. 2011 Sep 23;1218(38):6639-45. doi: 10.1016/j.chroma.2011.07.018. Epub 2011 Aug 2.