Darmon Alexandre, Benzaquen Michael, Salez Thomas, Dauchot Olivier
EC2M, UMR CNRS 7083 Gulliver, PSL Research University, ESPCI ParisTech, 10 Rue Vauquelin, 75005 Paris, France.
PCT, UMR CNRS 7083 Gulliver, PSL Research University, ESPCI ParisTech, 10 Rue Vauquelin, 75005 Paris, France.
J Chem Phys. 2014 Dec 28;141(24):244704. doi: 10.1063/1.4903994.
We study the problem of the transformation of a given reactant species into an immiscible product species, as they flow through a chemically active porous medium. We derive the equation governing the evolution of the volume fraction of the species, in a one-dimensional macroscopic description, identify the relevant dimensionless numbers, and provide simple models for capillary pressure and relative permeabilities, which are quantities of crucial importance when tackling multiphase flows in porous media. We set the domain of validity of our models and discuss the importance of viscous coupling terms in the extended Darcy's law. We investigate numerically the steady regime and demonstrate that the spatial transformation rate of the species along the reactor is non-monotonous, as testified by the existence of an inflection point in the volume fraction profiles. We obtain the scaling of the location of this inflection point with the dimensionless lengths of the problem. Eventually, we provide key elements for optimization of the reactor.
我们研究了给定反应物物种在流经化学活性多孔介质时转化为不混溶产物物种的问题。在一维宏观描述中,我们推导了控制物种体积分数演化的方程,确定了相关的无量纲数,并提供了毛细管压力和相对渗透率的简单模型,这些量在处理多孔介质中的多相流时至关重要。我们设定了模型的有效域,并讨论了扩展达西定律中粘性耦合项的重要性。我们对稳态进行了数值研究,并证明物种沿反应器的空间转化率是非单调的,这由体积分数分布中存在拐点所证实。我们得到了该拐点位置与问题无量纲长度的标度关系。最后,我们提供了反应器优化的关键要素。