Acid Water–Rock–Cement Interaction and Multicomponent Reactive Transport Modeling

Cama, Jordi; Soler, Josep M.; Ayora, Carlos

doi:10.2138/rmg.2018.85.15

Cited by 13 publications

(6 citation statements)

References 148 publications

(146 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…For example, reactive transport modelling has emerged at the end of the 20 th century mostly in the context of contaminant transport for groundwater quality 1 . Now, this field has grown to tackle more and more applications 2 , including the description of material degradation, for example in radioactive waste repositories 3,4 . The impact of geochemical reactions within a porous medium can significantly alter its properties 5,6 , further impacting its response to various perturbations.…”

Section: Introductionmentioning

confidence: 99%

A coupled hydro-chemo-mechanical approach to model the degradation and appearance of cracks in cementitious materials subject to carbonation

Seigneur

Socié

Bary

et al. 2023

Preprint

View full text Add to dashboard Cite

Coupled Thermal-Hydraulic-Mechanical-Chemical (THMC) approaches are crucial for assessing the durability of cementitious materials. We present a novel approach to overcome past limitations of THMC modelling and validate it based on experimental results of accelerated carbonation tests. Our numerical approach rests on a sequential coupling between Hytec and Cast3M. Hytec computes the evolution of hydraulic and mineralogical fields allowing to compute the micromechanical properties (e.g. Young modulus). The mineral reactions generate tensile stresses and Cast3M computes the associated strain tensors and the damage evolution represented by the opening or sealing of cracks, impacting subsequent reactive transport processes. Our approach manages to reproduce the crack patterns and non-uniform degradation depths observed on microtomographic images of carbonated cement samples, which can only be explained by the coupled dynamics of chemical and mechanical processes. Our approach can be extended to a wide range of cement-concrete pathologies and contexts.

show abstract

Section: Introductionmentioning

confidence: 99%

A coupled hydro-chemo-mechanical approach to model the degradation and appearance of cracks in cementitious materials subject to carbonation

Seigneur

Socié

Bary

et al. 2023

Preprint

View full text Add to dashboard Cite

show abstract

Section: Introductionmentioning

confidence: 99%

A fully coupled Hydraulic Mechanical Chemical approach applied to cementitious material damage due to carbonation

et al. 2023

View full text Add to dashboard Cite

Coupled Thermal-Hydraulic-Mechanical-Chemical (THMC) approaches may be important for assessing the long-term durability of cementitious materials. We present a multiphysics approach to overcome past limitations of THMC modelling and validate it based on experimental results of accelerated carbonation tests. Our numerical approach rests on a sequential coupling between Hytec and Cast3m. Hytec computes the evolution of hydraulic and mineralogical fields allowing to compute the micromechanical properties (e.g. Young’s modulus). The mineral reactions generate tensile stresses and Cast3M computes the associated strain tensors and the damage evolution represented by the opening or sealing of cracks, impacting subsequent reactive transport processes. Our approach manages to qualitatively represent the crack patterns and non-uniform degradation depths observed on microtomographic images of carbonated cement samples, which can only be explained by the coupled dynamics of chemical and mechanical processes. Our approach can be extended to a wide range of cement-concrete pathologies and contexts.

show abstract

“…Reactive transport modelling has been extensively applied across a wide variety of environmental systems, providing a powerful means of quantifying and even predicting processes across Earth's (near-) surface environments (Richter and DePaolo, 1987;Bain et al, 2000;Johnson et al, 2004;van Breukelen et al, 2004;Gaus et al, 2005;Torres et al, 2015;Li et al, 2017;Arora et al, 2020;Molins and Knabner, 2020;Rolle and Borgne, 2020;Druhan et al, 2020;Cama et al, 2020). Reactive transport models (RTMs) are constructed by combining multiple physical, chemical, and biological processes to simulate the behaviour of environmental systems.…”

Section: Introductionmentioning

confidence: 99%

An emulation-based approach for interrogating reactive transport models

Fotherby,

Bradbury,

Druhan

et al. 2023

Geosci. Model Dev.

View full text Add to dashboard Cite

Abstract. We present an emulation-based approach to understand the interactions among different chemical and biological processes modelled in environmental reactive transport models (RTMs) and explore how the parameterisation of these processes influences the results of multi-component RTMs. We utilise a previously published RTM consisting of 20 primary species, 20 secondary complexes, 17 mineral reactions, and 2 biologically mediated reactions; this RTM describes bio-stimulation using sediment from a contaminated aquifer. We choose a subset of the input parameters to vary over a range of values. The result is the construction of a new dataset that describes the model behaviour over a range of environmental conditions. Using this dataset to train a statistical model creates an emulator of the underlying RTM. This is a condensed representation of the original RTM that facilitates rapid exploration of a broad range of environmental conditions and sensitivities. As an illustration of this approach, we use the emulator to explore how varying the boundary conditions in the RTM describing the aquifer impacts the rates and volumes of mineral precipitation. A key result of this work is the recognition of an unanticipated dependency of pyrite precipitation on pCO2 in the injection fluid due to the stoichiometry of the microbially mediated sulfate reduction reaction. This complex relationship was made apparent by the emulator, while the underlying RTM was not specifically constructed to create such a feedback. We argue that this emulation approach to sensitivity analysis for RTMs may be useful in discovering such new coupled sensitives in geochemical systems and for designing experiments to optimise environmental remediation. Finally, we demonstrate that this approach can maximise specific mineral precipitation or dissolution reactions by using the emulator to find local maxima, which can be widely applied in environmental systems.

show abstract

Acid Water–Rock–Cement Interaction and Multicomponent Reactive Transport Modeling

Cited by 13 publications

References 148 publications

A coupled hydro-chemo-mechanical approach to model the degradation and appearance of cracks in cementitious materials subject to carbonation

A coupled hydro-chemo-mechanical approach to model the degradation and appearance of cracks in cementitious materials subject to carbonation

A fully coupled Hydraulic Mechanical Chemical approach applied to cementitious material damage due to carbonation

An emulation-based approach for interrogating reactive transport models

Contact Info

Product

Resources

About