Theoretical Investigation of the Nonlinear General Rate Model with the Bi-Langmuir Adsorption Isotherm Using Core–Shell Adsorbents

• Published in: ACS omega Vol. 8; no. 46; pp. 43964 - 43977
• Main Authors: Rasheed, Muhammad Afraz, Perveen, Sadia, Qamar, Shamsul
• Format: Journal Article
• Language: English
• Published: American Chemical Society 21.11.2023
• ISSN: 2470-1343; 2470-1343
• DOI: 10.1021/acsomega.3c06023

Core-shell particles enable the separation of intricate mixtures in a highly efficient and rapid manner. The porous shell particles increased the separation efficiency with expedited flow rates due to an abatement in the pore volume accessible for longitudinal diffusion and a decrease in diffusion path length. This study focuses on the numerical approximation of a nonlinear isothermal general rate model applied to stationary bed columns that are replete with inert core adsorbents featuring double adsorption sites. The transport of solute in heterogeneous porous media can be modeled by a nonlinear convection acquiescent partial differential equation system together with a specific nonlinear algebraic relation: the bi-Langmuir adsorption isotherm. Therefore, it is important to develop accurate and reliable numerical techniques that can perform accurate numerical simulations of these models. We extended and implemented a second-order, semidiscrete, high-resolution finite volume method to simulate the governing equations of the model. Single solute flow and multi component mixture flows are assessed through a series of numerical experiments to theoretically illustrate the repercussions of intraparticle diffusion, film mass resistance, axial dispersion, and the size of the inert core radius upon simulated elution curves. Standard performance criteria are assessed to determine the optimal core radius fraction range for optimizing the separation performance.Core-shell particles enable the separation of intricate mixtures in a highly efficient and rapid manner. The porous shell particles increased the separation efficiency with expedited flow rates due to an abatement in the pore volume accessible for longitudinal diffusion and a decrease in diffusion path length. This study focuses on the numerical approximation of a nonlinear isothermal general rate model applied to stationary bed columns that are replete with inert core adsorbents featuring double adsorption sites. The transport of solute in heterogeneous porous media can be modeled by a nonlinear convection acquiescent partial differential equation system together with a specific nonlinear algebraic relation: the bi-Langmuir adsorption isotherm. Therefore, it is important to develop accurate and reliable numerical techniques that can perform accurate numerical simulations of these models. We extended and implemented a second-order, semidiscrete, high-resolution finite volume method to simulate the governing equations of the model. Single solute flow and multi component mixture flows are assessed through a series of numerical experiments to theoretically illustrate the repercussions of intraparticle diffusion, film mass resistance, axial dispersion, and the size of the inert core radius upon simulated elution curves. Standard performance criteria are assessed to determine the optimal core radius fraction range for optimizing the separation performance.