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首页> 外文期刊>Separation and Purification Technology >Using local IAST with micropore size distribution to predict desorption and displacement kinetics of mixed gases in activated carbon
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Using local IAST with micropore size distribution to predict desorption and displacement kinetics of mixed gases in activated carbon

机译：使用具有微孔尺寸分布的局部IAST预测活性炭中混合气体的解吸和置换动力学

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摘要

A mathematical model utilizing ideal adsorbed solution theory (IAST) and micropore size distribution (MPSD) concept to describe the adsorption equilibrium and surface energetic heterogeneity is used to predict the desorption and displacement kinetics of mixed gases in activated carbon. The model takes into account the intraparticle diffusion in both prove volume and adsorbed phase. The driving force for surface diffusion is the chemical potential gradient, and the apparent surface diffusivity is a function of the adsorbed concentration. The adsorbate-adsorbent interaction energy is related to the micropore size by the Lennard-Jones potential, and the matching energies between different species in the adsorbed phase are therefore described by this adsorbate-pore interaction mechanism in both equilibrium and diffusion of the adsorbed species. The overall adsorption isotherm and the diffusion flux of the adsorbed species are the integrals of their corresponding local values over all MPSD range accessible by the adsorbate molecules. The size exclusion effect is taken into account in the competition of the different gases for the given pore. The model parameters are obtained using only information of pure gas equilibrium and mass transfer. The model predictions are tested with the desorption and displacement kinetics data of binary gases on Ajax activated carbon and found to be in good agreement with the experimental data.
机译：使用理想吸附溶液理论（IAST）和微孔尺寸分布（MPSD）概念描述吸附平衡和表面能不均一性的数学模型来预测活性炭中混合气体的解吸和置换动力学。该模型考虑了颗粒内在证明体积和吸附相中的扩散。表面扩散的驱动力是化学势梯度，表观表面扩散率是吸附浓度的函数。吸附物与吸附剂的相互作用能通过Lennard-Jones电位与微孔尺寸有关，因此，在吸附相的平衡和扩散过程中，吸附相之间不同物种之间的匹配能由该吸附剂-孔相互作用机理来描述。整个吸附等温线和被吸附物质的扩散通量是被吸附物分子可及的所有MPSD范围内其相应局部值的积分。对于给定的孔，在不同气体的竞争中考虑了尺寸排阻效应。仅使用纯气体平衡和传质信息获得模型参数。使用Ajax活性炭上二元气体的解吸和置换动力学数据测试了模型预测，发现与实验数据非常吻合。

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