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Modeling of adsorption-reaction-desorption in granular media

机译：颗粒介质中吸附-反应-解吸的模型

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The scope of this work is to model the mass transport process from a moving Newtonian fluid to an assemblage of spherical solid absorbers. The flow field for laminar flow was obtained by numerically solving the Navier-Stokes equation in the pore space of a stochastically constructed three-dimensional assemblage of spherical particles, where the convective/diffusive transport is simulated by involving an adsorption/reaction/desorption mechanism as an appropriate boundary condition. The spatial/volume-averaging technique was used here for up-scaling, where the simplified boundary-value problems have been described and numerically solved for the velocity field and concentration. Macroscopic mass transfer coefficient was then calculated and compared with other approaches. The process was found to be controlled by the Peclet number as well as the porosity of the porous structure. Through model validation, the sorption mechanism considered here proved to provide a reasonable estimation of the mass transfer.
机译：这项工作的范围是模拟从运动的牛顿流体到球形固体吸收剂集合体的传质过程。层流流动的流场是通过在随机构造的三维球状三维组装体的孔隙空间中对Navier-Stokes方程进行数值求解而获得的，其中对流/扩散输运是通过吸收/反应/解吸机理模拟的。适当的边界条件。这里使用空间/体积平均技术进行放大，其中描述了简化的边值问题，并通过数值方法求解了速度场和浓度。然后计算宏观传质系数，并将其与其他方法进行比较。发现该过程受佩克雷特数和多孔结构的孔隙率控制。通过模型验证，这里考虑的吸附机理证明可以提供对传质的合理估计。

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