A variationally consistent and asymptotically convergent phase-field model for solute precipitation and dissolution

TL;DR

This paper introduces a new variationally consistent phase-field model for solute precipitation and dissolution, ensuring asymptotic convergence and providing numerical validation in multiple dimensions.

Contribution

The authors develop a novel phase-field model with variational consistency and asymptotic convergence for solute precipitation and dissolution processes.

Findings

Model derived from a free energy functional of Modica-Mortola type.

Convergence to sharp-interface model demonstrated via matched asymptotic expansions.

Numerical examples validate the model in 2D and 3D simulations.

Abstract

We propose a novel phase-field model for solute precipitation and dissolution in liquid solutions. Unlike in previous studies with similar scope, in our model the two non-linear coupled governing equations of the problem, which deliver the solute ion concentration and the phase-field variable, are derived in a variationally consistent way starting from a free energy functional of Modica-Mortola type. The phase-field variable is assumed to follow the non-conservative Allen-Cahn evolution law, whereas the solute ion concentration obeys the conservative Cahn-Hilliard equation. We also assess the convergence of the new model to the corresponding sharp-interface model via the method of matched asymptotic expansions, and derive a novel expression of the reaction rate of the sharp-interface model. Through a finite element discretization, we present several numerical examples in two and three dimensions.