Assessment of averaged 1D models for column adsorption with 3D computational experiments
We present a 3D mathematical model for contaminant capture in an adsorption column. The novelty of our approach involves the description of mass transfer by adsorption via a nonlinear evolution equation on the porous media surface, while Stokes flow and an advection-diffusion equation model contamin...
| Autores: | , |
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 2026 |
| País: | España |
| Institución: | Universitat Politècnica de Catalunya (UPC) |
| Repositorio: | UPCommons. Portal del coneixement obert de la UPC |
| Idioma: | inglés |
| OAI Identifier: | oai:upcommons.upc.edu:2117/456934 |
| Acceso en línea: | https://hdl.handle.net/2117/456934 https://dx.doi.org/10.1016/j.physd.2025.135064 |
| Access Level: | acceso abierto |
| Palabra clave: | Advection-diffusion Nonlinear model Homogenization 3D computational experiments Porous media Contaminant removal Adsorption Àrees temàtiques de la UPC::Matemàtiques i estadística::Anàlisi numèrica::Modelització matemàtica Àrees temàtiques de la UPC::Matemàtiques i estadística::Matemàtica aplicada a les ciències |
| Sumario: | We present a 3D mathematical model for contaminant capture in an adsorption column. The novelty of our approach involves the description of mass transfer by adsorption via a nonlinear evolution equation on the porous media surface, while Stokes flow and an advection-diffusion equation model contaminant transport through the interstices. Simulations with varying microstructures but identical porosity show minimal microstructure impact on contaminant distribution, especially in the radial direction. Using homogenization theory and a periodic microstructure, we derive a 1D adsorption model with two effective coefficients, dispersion and permeability, that explicitly incorporate microstructural details. The 1D model closely reproduces 3D results, including concentration profiles and outlet breakthrough curves. The 3D simulations converge to the 1D model as the microstructure is refined. Our model provides a theoretical foundation for the widely used 1D model, confirming its reliability for investigating, optimising, and designing column adsorption processes. |
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