Cracking and damage from crystallization in pores: Coupled chemo-hydro-mechanics and phase-field modeling

• Published in: Computer methods in applied mechanics and engineering Vol. 335; pp. 347 - 379
• Main Authors: Choo, Jinhyun, Sun, WaiChing
• Format: Journal Article
• Language: English
• Published: Amsterdam Elsevier B.V 15.06.2018; Elsevier BV
• Subjects: Boundary value problems; Carbon sequestration; Carbonation; Catalytic cracking; Chemo-hydro-mechanics; Computer simulation; Conservation laws; Cracking (fracturing); Crystal growth; Crystallization; Deformation mechanisms; Effective stress; Finite element method; Fracture; Fracture mechanics; In-pore crystallization; Materials conservation; Mathematical models; Phase field; Porosity; Porous materials; Porous media; Preconditioning; Reactive flow; Robustness (mathematics); Strain rate; Stress corrosion cracking; Unsaturated flow; Weathering; In-pore crystallization; Fracture; Effective stress; Reactive flow; Chemo-hydro-mechanics; Phase field
• ISSN: 0045-7825; 1879-2138
• DOI: 10.1016/j.cma.2018.01.044

Cracking and damage from crystallization of minerals in pores center on a wide range of problems, from weathering and deterioration of structures to storage of CO2 via in situ carbonation. Here we develop a theoretical and computational framework for modeling these crystallization-induced deformation and fracture in fluid-infiltrated porous materials. Conservation laws are formulated for coupled chemo-hydro-mechanical processes in a multiphase material composed of the solid matrix, liquid solution, gas, and crystals. We then derive an expression for the effective stress tensor that is energy-conjugate to the strain rate of a porous material containing crystals growing in pores. This form of effective stress incorporates the excess pore pressure exerted by crystal growth – the crystallization pressure – which has been recognized as the direct cause of deformation and fracture during crystallization in pores. Continuum thermodynamics is further exploited to formalize a constitutive framework for porous media subject to crystal growth. The chemo-hydro-mechanical model is then coupled with a phase-field approach to fracture which enables simulation of complex fractures without explicitly tracking their geometry. For robust and efficient solution of the initial–boundary value problem at hand, we utilize a combination of finite element and finite volume methods and devise a block-partitioned preconditioning strategy. Through numerical examples we demonstrate the capability of the proposed modeling framework for simulating complex interactions among unsaturated flow, crystallization kinetics, and cracking in the solid matrix.