Computational identification of adsorption and desorption parameters for pore scale transport in periodic porous media

TL;DR

This paper presents a computational method for identifying adsorption and desorption parameters in pore-scale reactive flow, using deterministic and stochastic approaches, applicable to various geometries and flow regimes.

Contribution

It introduces a multistage identification procedure for adsorption/desorption parameters in reactive flow within porous media, considering noise effects and different geometries.

Findings

Effective parameter identification demonstrated for Langmuir isotherm in 2D periodic media.

The approach is robust to measurement noise and adaptable to various geometries.

Simulation results indicate potential for broader applications in porous media analysis.

Abstract

Computational identification of unknown adsorption and desorption rates is discussed in conjunction with reactive flow considered at pore scale. The reactive transport is governed by incompressible Stokes equations, coupled with convection-diffusion equation for species transport. The surface reactions, namely adsorption and desorption, are accounted via Robin boundary conditions. Henry and Langmuir isotherms are considered. Measured concentration of the specie at the outlet of the domain has to be provided to carry out the identification procedure. Deterministic and stochastic parameter identification approaches are considered. The influence of the noise in the measurements on the accuracy of the identified parameters is discussed. Multistage identification procedure is suggested for the considered class of problems. The proposed identification approach is applicable for different geometries (random and periodic) and for a range of process parameters. In this paper the potential of the approach is demonstrated in identifying parameters of Langmuir isotherm for low Peclet and low Damkoler numbers reactive flow in a 2D periodic porous media with circular inclusions. Simulation results for random porous media and other regime parameters are subject of follow up papers. Finite element approximation in space and implicit time discretization are exploited.