Modeling Pore-Scale Two-Phase Flow: How to Avoid Gas-Channeling Phenomena in Micropacked-Bed Reactors via Catalyst Wettability Modification,Industrial & Engineering Chemistry Research

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Modeling Pore-Scale Two-Phase Flow: How to Avoid Gas-Channeling Phenomena in Micropacked-Bed Reactors via Catalyst Wettability Modification
Industrial & Engineering Chemistry Research ( IF 3.8 ) Pub Date : 2017-12-21 00:00:00 , DOI: 10.1021/acs.iecr.7b02493
Francisco J. Navarro-Brull ₁ , Roberto Gómez ₁

Affiliation

A model capable of providing a reliable estimation of two-phase flow dynamics and mass-transfer coefficients, is lacking for the design of micropacked-bed reactors via correlations, especially when the particle size of the bed is around 100 μm. In this work, we present a validation of the use of the phase field method for reproducing two-phase flow experiments found in the literature. This numerical simulation strategy sheds light on the impact of the micropacked-bed geometry and wettability on the formation of preferential gas channels. Counterintuitively, to homogenize the two-phase flow hydrodynamics and reduce radial mass-transfer limitations, solvent wettability of the support needs to be restricted, showing best performance when the contact angle ranges to 60° and capillary forces are still dominant. The tuning of gas–liquid–solid interactions by surface wettability modification opens a new window of opportunity for the design and scale-up of micropacked-bed reactors.

中文翻译：

建模毛孔尺度的两相流：如何通过修饰催化剂的润湿性来避免微包装床反应器中的气体通道现象

通过相关性设计微型填充床反应器的模型缺乏能够可靠地估计两相流动动力学和传质系数的模型，尤其是当床的粒径约为100μm时。在这项工作中，我们对使用相场法再现文献中发现的两相流实验进行了验证。这种数值模拟策略揭示了微填充床几何形状和润湿性对优先气体通道形成的影响。违反直觉，为了使两相流流体力学均匀化并减少径向传质限制，需要限制载体的溶剂润湿性，当接触角在60°范围内且毛细管力仍然占主导时，则表现出最佳性能。

更新日期：2017-12-21

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