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Detailed modeling of sorptive and textural properties of CaO-based sorbents with various porous structures
Separation and Purification Technology ( IF 8.6 ) Pub Date : 2020-09-22 , DOI: 10.1016/j.seppur.2020.117746
Ya.V. Bazaikin , E.G. Malkovich , D.I. Prokhorov , V.S. Derevschikov

In the current study, the volume-sintering model was implemented for the simulation of sorption/desorption and textural evolution of the set of CaO-based sorbents with broad differences in porous structure. The porous structure of the materials was modeled with the dense random packing of spheres using the Lubachevsky–Stillinger compression algorithm. The simulated packages were fitted to the parameters of the porous structure of real templated and non-templated CaO-based sorbents. The sintering of the packages during sorption/regeneration cycles was carried out based on the assumptions of the lattice diffusion mechanism and the sintering rate of CaCO3 being higher than that of CaO in the proposed model. The obtained model predicts well the dependence of textural changes and the recarbonation extent on the number of the sorption/regeneration cycles for the sorbents with different porosity and grain size.



中文翻译:

具有各种多孔结构的CaO基吸附剂的吸附和质构特性的详细模型

在当前的研究中,采用体积烧结模型来模拟一组多孔结构差异很大的CaO基吸附剂的吸附/解吸和组织演变。使用Lubachevsky–Stillinger压缩算法,通过球体的密集无规堆积对材料的多孔结构进行建模。模拟包装适合真实的模板化和非模板化的基于CaO的吸附剂的多孔结构参数。基于晶格扩散机理和CaCO 3的烧结速率的假设,进行了吸附/再生循环过程中包装的烧结。高于所提出模型中的CaO。所获得的模型很好地预测了结构变化和再碳化程度对具有不同孔隙率和粒径的吸附剂的吸附/再生循环数的依赖性。

更新日期:2020-09-22
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