ThermoChimie database developments in the framework of cement/clay interactions

Blanc, Philippe; Vieillard, Philippe; Gailhanou, Hélène; Gaboreau, Stéphane; Marty, Nicolas; Claret, Francis; Madé, Benoı̂t; Giffaut, Éric

doi:10.1016/j.apgeochem.2014.12.006

Cited by 48 publications

(40 citation statements)

References 62 publications

(97 reference statements)

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“…These zeolites are often related to the poorly crystalline N-A-S-H (sodium-aluminium-silicate-hydrate) and K-A-S-H (potassium-aluminiumsilicate-hydrate) gels that form in these systems [74,103]; the type of gel formed depends on the presence of Na + or K + , cation concentrations, the relative degree of saturation of the liquid phase with respect to silica, pH and temperature [120]. Several papers in recent years estimated solubility data for different zeolites, based mainly on heat capacity and enthalpy measurements [47,74,121]. This may lead to considerable bias in the estimated solubility data in the range of several log units due to uncertainties associated with the measurements of enthalpy data.…”

Section: Zeolitesmentioning

confidence: 99%

Cemdata18: A chemical thermodynamic database for hydrated Portland cements and alkali-activated materials

Lothenbach

Kulik

Matschei

et al. 2019

Cement and Concrete Research

740

319

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Thermodynamic modelling can reliably predict hydrated cement phase assemblages and chemical compositions, including their interactions with prevailing service environments, provided an accurate and complete thermodynamic database is used. Here, we summarise the Cemdata18 database, which has been developed specifically for hydrated Portland, calcium aluminate, calcium sulfoaluminate and blended cements, as well as for alkali-activated materials. It is available in GEMS and PHREEQC computer program formats, and includes thermodynamic properties determined from various experimental data published in recent years. Cemdata18 contains thermodynamic data for common cement hydrates such as C-S-H, AFm and AFt phases, hydrogarnet, hydrotalcite, zeolites, and M-S-H that are val-Cemdata18 includes a comprehensive selection of cement hydrates commonly encountered in Portland cement (PC) systems in the temperature range of to 100°C, including calcium silicate hydrate (C-S-H), magnesium silicate hydrate (M-S-H), hydrogarnet, hydrotalcite-like phases, some zeolites, AFm and AFt phases, and various solid solutions used to describe the solubility of these phases. Solubility constants have generally been calculated based on critical reviews of all available experimental data and from additional experiments made either to obtain missing data or to verify existing data. Additional solubility data were measured and compiled using temperatures ranging from 0 to 100°C in many instances, as documented in [9, 12, 27, 28]. Numerous solid solutions among AFm and AFt phases, siliceous hydrogarnets, hydrotalcite-like phases, C-S-H, and M-S-H have been observed and are included in Cemdata18. Several C-S-H solid solution models, as well as two models for hydroxide-hydrotalcite are available in Cemdata18. The CSHQ model from [11] and the OH-hydrotalcite end member with Mg/Al = 2 are well adapted for PC. Although the CSHQ model is able to describe the entire range of Ca/Si ratios encountered, it is best used for high Ca/Si C-S-H, as it still lacks the ability to predict aluminium uptake, which is of less importance for Portland cements than for blended cements. For alkali activated binders, the calcium (alkali) aluminosilicate hydrate (C-(N-)A-S-H) gel model, with lower calcium but higher aluminium and alkali content than in the C-S-H type phase which exists in hydrated PC, and a Mg-Al layered double hydroxide with variable Mg/Al ratio, are available. This paper summarises Cemdata18, which includes the most important additions to the Cemdata07 and Cemdata14 databases in recent years. It also discusses the relevance and implications of these additions, and compares Cemdata07 and Cemdata18, accounting for their main differences. Summaries

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Section: Zeolitesmentioning

confidence: 99%

Cemdata18: A chemical thermodynamic database for hydrated Portland cements and alkali-activated materials

Lothenbach

Kulik

Matschei

et al. 2019

Cement and Concrete Research

740

319

View full text Add to dashboard Cite

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“…For the cases that account for full complexity, the perturbation extension is even 5 times lower. Still, in saturated conditions and besides the simulation conceptualization, the accuracy and numerical stability of the reactive transport codes have been successfully benchmarked (Blanc et al 2015b). While simulations conducted in saturated conditions are numerous, simulations accounting for non-saturated and nonisothermal conditions are rare, making their results more difficult to evaluate.…”

Section: Interfacesmentioning

confidence: 99%

“…Overall, these simulations provide a better understanding of physical and chemical change and how materials interact; they give more confidence in the prediction of the durability of materials by converging on the alteration extent that can be expected at the interfaces between different materials over long periods of time. Benchmarking RTM codes on problems related to waste repositories (e.g., Marty et al 2015b) and continuous database development (Blanc et al 2012(Blanc et al , 2015bGiffaut et al 2014;Lothenbach et al 2019) also improve the robustness of the predictions. This is not to say that we fully understand all the physical and chemical phenomena or that modeling is fully representative of all the processes occurring in such complex systems.…”

Section: General Conclusion and Perspectivesmentioning

confidence: 99%

RTM for Waste Repositories

Bildstein

Claret

Frugier

2019

Reviews in Mineralogy and Geochemistry

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“…in underground concrete structures or cementitious nuclear waste repositories. Zeolitic precipitates, such as nitrate-sodalite, nitrate-cancrinite, and faujasite, could form from clays (e.g., illite, vermiculite, or montmorillonite) subjected to weathering in high-level radioactive tank waste leachate [9], such that cements, zeolites and clays can be expected to co-exist in long-term underground constructions [10,11].…”

Section: Introductionmentioning

confidence: 99%

“…Due to the lack of experimental data, researchers tried developing "critical and systematic" estimation strategies of thermodynamic data of zeolites [11,12]. The standard Gibbs free energies of formation (ΔGf 0 ) and standard enthalpies of formation (ΔHf 0 ) has been calculated by the polymer model [13,14], polyhedral model [15], exchange models [16], and phase relation methods [17].…”

Section: Introductionmentioning

confidence: 99%

Synthesis, characterization, and thermodynamic study of selected Na-based zeolites

Lothenbach

2020

Cement and Concrete Research

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Zeolites are crystalline aluminosilicates with three-dimensional framework structures that can form in alkali-activated cements, Roman cements, and the interaction zone of cements and clays. However, their stability domains are uncertain due to their high structural variability and the lack of experimental solubility data. Thermodynamic data were here determined for selected Na-based zeolites built from six different secondary building units that could possibly form in the interaction zones of cement/clay. The zeolites were synthesized by hydrothermal methods and full-scale characterized with respect to framework structures, extra-framework cations, Si/Al ratios, and water contents. Their thermodynamic properties were determined based on the experimental solubility products at different temperatures using GEMS. Predominance diagrams of zeolite-clay/mica-SiO2/Al(OH)3 minerals in the chemical subsystems of Na2O-SiO2-Al2O3-H2O were successfully established using PHREEQC-PhreePlot code. The experimentally derived thermodynamic data provide insights on the early stage of the zeolite ageing and predicting zeolite stability domains during cementitious material hydration.

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ThermoChimie database developments in the framework of cement/clay interactions

Cited by 48 publications

References 62 publications

Cemdata18: A chemical thermodynamic database for hydrated Portland cements and alkali-activated materials

Cemdata18: A chemical thermodynamic database for hydrated Portland cements and alkali-activated materials

RTM for Waste Repositories

Synthesis, characterization, and thermodynamic study of selected Na-based zeolites

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