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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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Accelerating Reactive Transport Modeling: On-Demand Machine Learning Algorithm for Chemical Equilibrium Calculations

Transport in porous media, 2020-06, Vol.133 (2), p.161-204

2020

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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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Modeling reactive transport in non-ideal aqueous–solid solution system

Applied geochemistry, 2009-07, Vol.24 (7), p.1287-1300

2009

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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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GEM-Selektor geochemical modeling package: revised algorithm and GEMS3K numerical kernel for coupled simulation codes

Computational geosciences, 2013-02, Vol.17 (1), p.1-24

2013

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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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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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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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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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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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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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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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Aqueous–solid solution thermodynamic model of U(VI) uptake in C–S–H phases

Applied geochemistry, 2012, Vol.27 (1), p.81-95

2012

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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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Correction to: Accelerating Reactive Transport Modeling: On-Demand Machine Learning Algorithm for Chemical Equilibrium Calculations

Transport in porous media, 2020-06, Vol.133 (2), p.205-206

2020

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Reactive Transport Modelling of Dolomitisation Using the New CSMP++GEM Coupled Code: Governing Equations, Solution Method and Benchmarking Results

Transport in porous media, 2017-04, Vol.117 (3), p.385-413

2017

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A unified approach to model uptake kinetics of trace elements in complex aqueous – solid solution systems

Applied geochemistry, 2014-02, Vol.41, p.135-150

2014

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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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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

Accelerating Reactive Transport Modeling: On-Demand Machine Learning Algorithm for Chemical Equilibrium Calculations

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

Modeling reactive transport in non-ideal aqueous–solid solution system

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

GEM-Selektor geochemical modeling package: revised algorithm and GEMS3K numerical kernel for coupled simulation codes

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

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

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

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

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

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

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

Aqueous–solid solution thermodynamic model of U(VI) uptake in C–S–H phases

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

Correction to: Accelerating Reactive Transport Modeling: On-Demand Machine Learning Algorithm for Chemical Equilibrium Calculations

Reactive Transport Modelling of Dolomitisation Using the New CSMP++GEM Coupled Code: Governing Equations, Solution Method and Benchmarking Results

A unified approach to model uptake kinetics of trace elements in complex aqueous – solid solution systems

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

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