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

12/09/2019
by   Vasiliy V. Grigoriev, et al.
0

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.

READ FULL TEXT

page 4

page 10

page 13

page 17

07/19/2021

Global random walk solvers for reactive transport and biodegradation processes in heterogeneous porous media

Flow and multicomponent reactive transport in saturated/unsaturated poro...
04/25/2022

On the Performance of Machine Learning Methods for Breakthrough Curve Prediction

Reactive flows are important part of numerous technical and environmenta...
09/06/2019

Computational analysis of transport in three-dimensional heterogeneous materials

Porous and heterogeneous materials are found in many applications from c...
10/26/2020

Simulation of hydrogen permeation through pure iron for trapping and surface phenomena characterisation

There is a need for numerical models capable of predicting local accumul...
12/20/2021

Space-time upscaling of reactive transport in porous media

Reactive transport in saturated/unsaturated porous media is numerically ...
11/30/2017

Numerical Simulation of Fecal Coliform Dynamics in Luruaco Lake, Colombia

The Luruaco Lake located in the Department of Atlántico, Colombia, is da...