WENO scheme on characteristics for the equilibrium dispersive model of chromatography with generalized Langmuir isotherms
Fuente:
arXiv
Saved in:
| Main Authors: | , , |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866909203991363584 |
|---|---|
| author | Donat, R. Martí, M. C. Mulet, P. |
| author_facet | Donat, R. Martí, M. C. Mulet, P. |
| contents | Column chromatography is a laboratory and industrial technique used to separate different substances mixed in a solution. Mathematically, it can be modelled using non-linear partial differential equations whose main ingredients are the adsorption isotherms, which are non-linear functions modelling the affinity between the different substances in the solution and the solid stationary phase filling the column. The goal of this work is twofold. Firstly, we aim to extend the techniques of Donat, Guerrero and Mulet (Appl. Numer. Math. 123 (2018) 22-42) to other adsorption isotherms. In particular, we propose a family of generalized Langmuir-type isotherms and prove that the correspondence between the concentrations of solutes in the liquid phase (the primitive variables) and the conserved variables is well defined and admits a global smooth inverse that can be computed numerically. Secondly, to establish the well-posedness of the mathematical model, we study the eigenstructure of the Jacobian of the mentioned correspondence and use this characteristic information to get oscillation-free sharp interfaces on the numerical approximate solutions. To do so, we determine the structure of the Jacobian matrix of the system and use it to deduce its eigenstructure. We combine the use of characteristic-based numerical fluxes with a second-order implicit-explicit scheme proposed in the cited reference and perform some numerical experiments with Tóth's adsorption isotherms to demonstrate that the characteristic-based schemes produce accurate numerical solutions with no oscillations, even when steep gradients appear in the solutions. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2405_09328 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | WENO scheme on characteristics for the equilibrium dispersive model of chromatography with generalized Langmuir isotherms Donat, R. Martí, M. C. Mulet, P. Numerical Analysis Column chromatography is a laboratory and industrial technique used to separate different substances mixed in a solution. Mathematically, it can be modelled using non-linear partial differential equations whose main ingredients are the adsorption isotherms, which are non-linear functions modelling the affinity between the different substances in the solution and the solid stationary phase filling the column. The goal of this work is twofold. Firstly, we aim to extend the techniques of Donat, Guerrero and Mulet (Appl. Numer. Math. 123 (2018) 22-42) to other adsorption isotherms. In particular, we propose a family of generalized Langmuir-type isotherms and prove that the correspondence between the concentrations of solutes in the liquid phase (the primitive variables) and the conserved variables is well defined and admits a global smooth inverse that can be computed numerically. Secondly, to establish the well-posedness of the mathematical model, we study the eigenstructure of the Jacobian of the mentioned correspondence and use this characteristic information to get oscillation-free sharp interfaces on the numerical approximate solutions. To do so, we determine the structure of the Jacobian matrix of the system and use it to deduce its eigenstructure. We combine the use of characteristic-based numerical fluxes with a second-order implicit-explicit scheme proposed in the cited reference and perform some numerical experiments with Tóth's adsorption isotherms to demonstrate that the characteristic-based schemes produce accurate numerical solutions with no oscillations, even when steep gradients appear in the solutions. |
| title | WENO scheme on characteristics for the equilibrium dispersive model of chromatography with generalized Langmuir isotherms |
| topic | Numerical Analysis |
| url | https://arxiv.org/abs/2405.09328 |