Numerical Model for Chloride Ingress in Cement Based Materials: Method of Lines Implementation for Solving Coupled Multi-species Diffusion with Binding

Neven Ukrainczyk, Eduardus A. B. Koenders


Transport processes in cementitious materials play a crucial role in both the degradation process of building materials as well as in the containment of hazardous wastes. In this paper a MATLAB numerical approach is presented for solving a coupled system of nonlinear Nernst-Planck equations for the diffusion of ions through cementitious materials that considers electrical coupling between several diffusive ions as well as reaction with a solid phase. Novelty of the approach is in its numerical implementation employing Matlab’s built-in solvers based on Method of Lines, providing a robust and relatively easy solution to handle non-linearity and the couplings of the equations with a good convergence rate. The model is dedicated to predict concentration profiles and fluxes for each ion and the resulting potential distribution through the porous material. Parameter optimization is performed by Levenberg-Marquard algorithm. The approach is general, but is demonstrated on modeling chloride ingress in cement based materials, which can be used to obtain long term durability predictions of concrete structures.

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