利用平衡双分子反应实现连续尺度混合与分散的双膜方法

IF 2.7 3区 工程技术 Q3 ENGINEERING, CHEMICAL Transport in Porous Media Pub Date : 2024-05-27 DOI:10.1007/s11242-024-02091-y
Simon A. Mathias, Diogo Bolster, Sergii Veremieiev
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引用次数: 0

摘要

要建立可靠的反应传输模型,就必须仔细分离混合和分散过程。在这里,我们将置换流体和被置换流体视为两个独立的流体相,并引用惠特曼的经典双膜理论来模拟两相之间的传质。我们利用格拉姆林的双分子反应实验数据来评估模型的性能。Gramling 的原始模型只涉及三个耦合 PDE。在这种情况下,我们的新表述导致了一组七个耦合 PDE,但只需要指定两个额外参数,与传质系数及其对时间的依赖性相关。双膜传质模型为在欧拉连续尺度方法中分离混合和分散提供了一种简单且基于理论的方法。与现有方法相比,这种方法的优势在于它能够模拟平衡化学反应,而无需引用不切实际的小反应速率系数。与格拉姆林实验数据的对比证实,我们提出的方法适合模拟真实而复杂的双分子反应行为。不过,我们还需要进一步探索其他方法,以避免使用随时间变化的传质速率系数。
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Two Film Approach to Continuum Scale Mixing and Dispersion with Equilibrium Bimolecular Reaction

Reliable reactive transport models require careful separation of mixing and dispersion processes. Here we treat displacing and displaced fluids as two separate fluid phases and invoke Whitman’s classical two-film theory to model mass transfer between the two phases. We use experimental data from Gramling’s bimolecular reaction experiment to assess model performance. Gramling’s original model involved just three coupled PDEs. In this context, our new formulation leads to a set of seven coupled PDEs but only requires the specification of two extra parameters, associated with the mass transfer coefficient and its dependence on time. The two film mass transfer model provides a simple and theoretically based method for separating mixing from dispersion in Eulerian continuum-scale methods. The advantage of this approach over existing methods is that it enables the simulation of equilibrium chemical reactions without having to invoke unrealistically small reaction rate coefficients. The comparison with Gramling’s experimental data confirms that our proposed method is suitable for simulating realistic and complicated bimolecular reaction behaviour. However, further work is needed to explore alternative methods for avoiding the need of a time-dependent mass transfer rate coefficient.

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来源期刊
Transport in Porous Media
Transport in Porous Media 工程技术-工程:化工
CiteScore
5.30
自引率
7.40%
发文量
155
审稿时长
4.2 months
期刊介绍: -Publishes original research on physical, chemical, and biological aspects of transport in porous media- Papers on porous media research may originate in various areas of physics, chemistry, biology, natural or materials science, and engineering (chemical, civil, agricultural, petroleum, environmental, electrical, and mechanical engineering)- Emphasizes theory, (numerical) modelling, laboratory work, and non-routine applications- Publishes work of a fundamental nature, of interest to a wide readership, that provides novel insight into porous media processes- Expanded in 2007 from 12 to 15 issues per year. Transport in Porous Media publishes original research on physical and chemical aspects of transport phenomena in rigid and deformable porous media. These phenomena, occurring in single and multiphase flow in porous domains, can be governed by extensive quantities such as mass of a fluid phase, mass of component of a phase, momentum, or energy. Moreover, porous medium deformations can be induced by the transport phenomena, by chemical and electro-chemical activities such as swelling, or by external loading through forces and displacements. These porous media phenomena may be studied by researchers from various areas of physics, chemistry, biology, natural or materials science, and engineering (chemical, civil, agricultural, petroleum, environmental, electrical, and mechanical engineering).
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