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

Cement and concrete research, 2019-01, Vol.115, p.472-506

2019

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Extraction of heavy metals from MSWI fly ash using hydrochloric acid and sodium chloride solution

Waste management (Elmsford), 2018-06, Vol.76, p.457-471

2018

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Improving the structural consistency of C-S-H solid solution thermodynamic models

Cement and concrete research, 2011-05, Vol.41 (5), p.477-495

Kulik, Dmitrii A.

2011

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An internally consistent thermodynamic dataset for aqueous species in the system Ca-Mg-Na-K-Al-Si-O-H-C-Cl to 800 °C and 5 kbar

American journal of science (1880), 2017-09, Vol.317 (7), p.755-806

2017

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A structurally-consistent CASH+ sublattice solid solution model for fully hydrated C-S-H phases: Thermodynamic basis, methods, and Ca-Si-H2O core sub-model

Cement and concrete research, 2022-01, Vol.151, p.106585, Article 106585

2022

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Extensions of CASH+ thermodynamic solid solution model for the uptake of alkali metals and alkaline earth metals in C-S-H

Cement and concrete research, 2022-02, Vol.152, p.106667, Article 106667

2022

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Emulation of short-range ordering within the Compound Energy Formalism: Application to the calcite-magnesite solid solution

Calphad, 2019-03, Vol.64, p.115-125

2019

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Oxygen potential calculations for conventional and Cr-doped UO2 fuels based on solid solution thermodynamics

Journal of nuclear materials, 2020-06, Vol.534, p.152140, Article 152140

2020

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Twenty-two-year investigation of strength development and surface deterioration of cement-treated clay in an in-situ field test

Cement & concrete composites, 2022-11, Vol.134, p.104783, Article 104783

2022

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Porewater compositions of Portland cement with and without silica fume calculated using the fine-tuned CASH+NK solid solution model

Materials and structures, 2022, Vol.55 (8), p.212-212, Article 212

2022

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GEM-SELEKTOR GEOCHEMICAL MODELING PACKAGE: TSolMod LIBRARY AND DATA INTERFACE FOR MULTICOMPONENT PHASE MODELS

Canadian mineralogist, 2012-10, Vol.50 (5), p.1173-1195

2012

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An overview of computational methods for chemical equilibrium and kinetic calculations for geochemical and reactive transport modeling

Pure and applied chemistry, 2017-05, Vol.89 (5), p.597-643

2017

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Internally consistent thermodynamic data for aqueous species in the system Na–K–Al–Si–O–H–Cl

Geochimica et cosmochimica acta, 2016-08, Vol.187, p.41-78

2016

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GEMSFITS: Code package for optimization of geochemical model parameters and inverse modeling

Applied geochemistry, 2015-04, Vol.55, p.28-45

2015

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Gibbs energy minimization approach to modeling sorption equilibria at the mineral-water interface: Thermodynamic relations for multi-site-surface complexation

American journal of science (1880), 2002-03, Vol.302 (3), p.227-279

Kulik, D. A.

2002

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Computational methods for reactive transport modeling: A Gibbs energy minimization approach for multiphase equilibrium calculations

Advances in water resources, 2016-02, Vol.88, p.231-240

2016

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Thermodynamic model of MSWI flue gas cooling path: Effect of flue gas composition on heavy metal binding forms

Waste management & research, 2024-03, Vol.42 (3), p.273-284

2024

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Geochemical impact of a low-pH cement liner on the near field of a repository for spent fuel and high-level radioactive waste

Physics and chemistry of the earth. Parts A/B/C, 2013, Vol.64, p.46-56

2013

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An advanced reactive transport simulation scheme for hydrothermal systems modelling

Geothermics, 2019-03, Vol.78, p.138-153

2019

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Enabling Gibbs energy minimization algorithms to use equilibrium constants of reactions in multiphase equilibrium calculations

Chemical geology, 2016-10, Vol.437, p.170-181

2016

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Computational methods for reactive transport modeling: An extended law of mass-action, xLMA, method for multiphase equilibrium calculations

Advances in water resources, 2016-10, Vol.96, p.405-422

2016

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A suite of programs, OptimA, OptimB, OptimC, and OptimS compatible with the Unitherm database, for deriving the thermodynamic properties of aqueous species from solubility, potentiometry and spectroscopy measurements

Applied geochemistry, 2015-04, Vol.55, p.17-27

Shvarov, Yuri

2015

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Thermodynamic Concepts in Modeling Sorption at the Mineral-Water Interface

Reviews in mineralogy and geochemistry, 2009-01, Vol.70 (1), p.125-180

Kulik, D. A.

2009

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CemGEMS – an easy-to-use web application for thermodynamic modeling of cementitious materials

RILEM Technical Letters, 2021-06, Vol.6, p.36-52

2021

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Aqueous electrolyte solution modelling: Some limitations of the Pitzer equations

Applied geochemistry, 2015-04, Vol.55, p.170-183

2015

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

Extraction of heavy metals from MSWI fly ash using hydrochloric acid and sodium chloride solution

Improving the structural consistency of C-S-H solid solution thermodynamic models

An internally consistent thermodynamic dataset for aqueous species in the system Ca-Mg-Na-K-Al-Si-O-H-C-Cl to 800 °C and 5 kbar

A structurally-consistent CASH+ sublattice solid solution model for fully hydrated C-S-H phases: Thermodynamic basis, methods, and Ca-Si-H2O core sub-model

Extensions of CASH+ thermodynamic solid solution model for the uptake of alkali metals and alkaline earth metals in C-S-H

Emulation of short-range ordering within the Compound Energy Formalism: Application to the calcite-magnesite solid solution

Oxygen potential calculations for conventional and Cr-doped UO2 fuels based on solid solution thermodynamics

Twenty-two-year investigation of strength development and surface deterioration of cement-treated clay in an in-situ field test

Porewater compositions of Portland cement with and without silica fume calculated using the fine-tuned CASH+NK solid solution model

GEM-SELEKTOR GEOCHEMICAL MODELING PACKAGE: TSolMod LIBRARY AND DATA INTERFACE FOR MULTICOMPONENT PHASE MODELS

An overview of computational methods for chemical equilibrium and kinetic calculations for geochemical and reactive transport modeling

Internally consistent thermodynamic data for aqueous species in the system Na–K–Al–Si–O–H–Cl

GEMSFITS: Code package for optimization of geochemical model parameters and inverse modeling

Gibbs energy minimization approach to modeling sorption equilibria at the mineral-water interface: Thermodynamic relations for multi-site-surface complexation

Computational methods for reactive transport modeling: A Gibbs energy minimization approach for multiphase equilibrium calculations

Thermodynamic model of MSWI flue gas cooling path: Effect of flue gas composition on heavy metal binding forms

Geochemical impact of a low-pH cement liner on the near field of a repository for spent fuel and high-level radioactive waste

An advanced reactive transport simulation scheme for hydrothermal systems modelling

Enabling Gibbs energy minimization algorithms to use equilibrium constants of reactions in multiphase equilibrium calculations

Computational methods for reactive transport modeling: An extended law of mass-action, xLMA, method for multiphase equilibrium calculations

A suite of programs, OptimA, OptimB, OptimC, and OptimS compatible with the Unitherm database, for deriving the thermodynamic properties of aqueous species from solubility, potentiometry and spectroscopy measurements

Thermodynamic Concepts in Modeling Sorption at the Mineral-Water Interface

CemGEMS – an easy-to-use web application for thermodynamic modeling of cementitious materials

Aqueous electrolyte solution modelling: Some limitations of the Pitzer equations

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