Computational simulations of the mass transfer zone in GS adsorption column packed with Fe3+ type ion exchanger. (January 2019)

• Record Type: Journal Article
• Authors: Qian, Wenbin; Song, Qiaoqiao; Ding, Hanjing; Xie, Wenjing
• Is Part Of: Chemosphere. Volume 215(2019)
• Page Start: 507
• Page End: 514
• Publication Date: 2019-01
• Subjects: Adsorption -- MTZ -- Diffusion -- Geniposide -- COMSOL -- Waster water; Pollution -- Periodicals; Pollution -- Physiological effect -- Periodicals; Environmental sciences -- Periodicals; Atmospheric chemistry -- Periodicals; 551.511
• DOI: 10.1016/j.chemosphere.2018.10.054
• Languages: English
• ISSNs: 0045-6535

Abstract

Abstract: In this work, a mesoporous Fe 3+ type ion exchanger (DOW-3) was used to adsorb the geniposide (GS) involved in gardenia yellow pigment waste water. To test its viability, the mass transfer zone (MTZ) in dynamic adsorption column that plays an important role in the future scale-up of the GS adsorption process was studied systematically. Simulation of the MTZ behavior under various operation conditions in a packed adsorption column enabled the predictions of breakthrough curves of GS for the mesoporous adsorbent. Several modes of mass transport and processes taking place simultaneously, such as permeation, convection, dispersion and adsorption equilibrium were incorporated in the proposed model. Modeling process firstly affected the behavior of MTZ when it formed and moved throughout the column, and then had a much greater impact on the shape of breakthrough curve in the simulation. The dynamics of MTZ were studied under different adsorption conditions such as various column heights, flow rates and inlet concentrations. Moreover, the post-processing technique and 3D visualization of MTZ simulation results were capable of demonstrating the expanding and progressing of the MTZ related to the adsorption isotherm. The basic findings of MTZ dynamics will be very useful for process scale up. Additionally, the effective molecule docking results obtained from this study, help us fully understand the contribution of various molecular forces in the adsorption mechanism. Graphical abstract: Highlights: A mesoporous iron-type ion exchanger was firstly used in GS adsorption processes. PDEs in the column model were solved in Comsol Multiphysics by a 3D technology. Overall mass transfer coefficient K overall were obtained by this model. Behavior and properties of MTZ was studied detailedly in adsorption experiments. Molecule docking results well explains the adsorption mechanism of GS molecule.