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

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 deformatio...

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Bibliographic Details
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
Online Access:Get full text
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Summary: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.
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ISSN:0045-7825
1879-2138
DOI:10.1016/j.cma.2018.01.044