2019
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Cametti G, Scheinost AC, Giordani M, Churakov SV
Framework modifications and dehydration path of a Ag+-modified zeolite with STI framework type
Journal of Physical Chemistry C. 2019; 123(22): 13651-13663. https://doi.org/10.1021/acs.jpcc.9b01976
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Cametti G, Scheinost AC, Churakov SV
Structural modifications and thermal stability of Cd2+-exchanged stellerite, a zeolite with STI framework type
Journal of Physical Chemistry C. 2019; 123(41): 25236-25245. https://doi.org/10.1021/acs.jpcc.9b07297
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Curti E, Xto J, Borca CN, Henzler K, Huthwelker T, Prasianakis NI
Modelling Ra-bearing baryte nucleation/precipitation kinetics at the pore scale: application to radioactive waste disposal
European Journal of Mineralogy. 2019; 31(2): 247-262. https://doi.org/10.1127/ejm/2019/0031-2818
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Di Lorenzo F, Ruiz-Agudo C, Churakov SV
The key effects of polymorphism during PbII uptake by calcite and aragonite
CrystEngComm. 2019; 21(41): 6145-6155. https://doi.org/10.1039/C9CE01040H
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Fazeli H, Patel RA, Ellis BR, Hellevang H
Three-dimensional pore-scale modeling of fracture evolution in heterogeneous carbonate caprock subjected to CO2-enriched brine
Environmental Science and Technology. 2019; 53(8): 4630-4639. https://doi.org/10.1021/acs.est.8b05653
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Geng G, Li J, Zhang W, Yu Y-S, Shapiro DA, Monteiro PJM
The hydration of β- and α′H-dicalcium silicates: an X-ray spectromicroscopic study
ACS Sustainable Chemistry and Engineering. 2019; 7(2): 2316-2326. https://doi.org/10.1021/acssuschemeng.8b05060
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Gimmi T, Churakov SV
Water retention and diffusion in unsaturated clays: connecting atomistic and pore scale simulations
Applied Clay Science. 2019; 175: 169-183. https://doi.org/10.1016/j.clay.2019.03.035
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Giordani M, Cametti G, Di Lorenzo F, Churakov SV
Real-time observation of fibrous zeolites reactivity in contact with simulated lung fluids (SLFs) obtained by atomic force microscope (AFM)
Minerals. 2019; 9(2): 83 (23 pp.). https://doi.org/10.3390/min9020083
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Guillemot T, Wieland E, Kunz D, Tits J, Salazar G, Szidat S
Corrosion of irradiated steel in cementitious environment: speciation of carbon-14
Presented at: 5th International workshop on mechanisms and modelling of waste / cement interaction; March 25-27, 2019; Karlsruhe, Germany.
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Guillemot T, Wieland E, Kunz D, Cvetković B
Understanding the carbon speciation during iron corrosion in alkaline anoxic conditions for safety assessment of radioactive waste repositories
Presented at: 7th international workshop on long-term prediction of corrosion damage in nuclear waste systems (LTC 2019); November 19-21, 2019; Nancy, France.
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Hummel W, Filella M, Rowland D
Where to find equilibrium constants?
Science of the Total Environment. 2019; 692: 49-59. https://doi.org/10.1016/j.scitotenv.2019.07.161
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Jacques D, Dauzères A, Dejssmann G, Govaerts J, Holt E, Kosakowski G, et al.
EURAD ACED. Assessment of chemical evolution of ILW and HLW disposal cells
Presented at: 9th European commission conference on EURATOM research and training in radioactive waste management (EURADWASTE '19); June 4-7, 2019; Pitesti, Romania.
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Jenni A, Wersin P, Thoenen T, Baeyens B, Ferrari A, Gimmi T, et al.
Bentonite backfill performance in a high-level waste repository: a geochemical perspective
Wettingen: National Cooperative for the Disposal of Radioactive Waste (Nagra); 2019. Nagra: technical report: NTB 19-03.
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Kosakowski G, Lothenbach B
Influence of temperature pulse on a cementitious near field
Presented at: EGU general assembly 2019; April 7-12, 2019; Vienna, Austria.
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Krejci P, Gimmi T, Van Loon L
Modelling diffusion of sorbing cations in Opalinus Clay
Presented at: Goldschmidt; August 18-23, 2019; Barcelona.
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Kéri A, Dähn R, Krack M, Churakov SV
Characterization of structural iron in smectites — an ab initio based X-ray absorption spectroscopy study
Environmental Science and Technology. 2019; 53(12): 6877-6886. https://doi.org/10.1021/acs.est.8b06952
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Kéri AG
Mechanism of metal uptake by clay minerals ― X-ray spectroscopy and molecular modelling study
2019.
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Li J, Geng G, Myers R, Yu Y-S, Shapiro D, Carraro C, et al.
The chemistry and structure of calcium (alumino) silicate hydrate: a study by XANES, ptychographic imaging, and wide- and small-angle scattering
Cement and Concrete Research. 2019; 115: 367-378. https://doi.org/10.1016/j.cemconres.2018.09.008
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Liu X, Vinograd VL, Nichenko S, Kulik DA, Lu X, Winkler B
Emulation of short-range ordering within the compound energy formalism: application to the calcite-magnesite solid solution
Calphad. 2019; 64: 115-125. https://doi.org/10.1016/j.calphad.2018.11.012
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Liu L, Sun C, Geng G, Feng P, Li J, Dähn R
Influence of decalcification on structural and mechanical properties of synthetic calcium silicate hydrate (C-S-H)
Cement and Concrete Research. 2019; 123: 105793 (8 pp.). https://doi.org/10.1016/j.cemconres.2019.105793
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Lothenbach B, Kulik DA, Matschei T, Balonis M, Baquerizo L, Dilnesa B, et al.
Cemdata18: a chemical thermodynamic database for hydrated Portland cements and alkali-activated materials
Cement and Concrete Research. 2019; 115: 472-506. https://doi.org/10.1016/j.cemconres.2018.04.018
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Mancini A, Wieland E, Lothenbach B, Dähn R, Wehrli B
Fe in GGBFS: new insights from laboratory experiments and synchrotron-based investigations
In: Gemrich J, ed. ICCC Prague 2019 - 15th international congress on the chemistry of cement. Vol. 2. Proceedings of the 15th international congress on the chemistry of cement (ICCC 2019). Prague: Research Institute of Binding Materials Prague; 2019:(6 pp.).
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Mancini A, Wieland E, Lothenbach B, Dähn R, Wehrli B
Fe in GGBFS: new insights from laboratory experiments and synchrotron-based investigations
Presented at: 15th International congress on the chemistry of cement (ICCC 2019); September 16-20, 2019; Prague, Czech Republic.
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Mancini A, Wieland E, Geng G, Dähn R, Skibsted J, Wehrli B, et al.
Fe(III) uptake by calcium silicate hydrates
Applied Geochemistry. 2019; 113: 104460 (15 pp.). https://doi.org/10.1016/j.apgeochem.2019.104460
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Marques Fernandes M, Baeyens B
Cation exchange and surface complexation of lead on montmorillonite and illite including competitive adsorption effects
Applied Geochemistry. 2019; 100: 190-202. https://doi.org/10.1016/j.apgeochem.2018.11.005
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Miron GD, Leal AMM, Yapparova A
Thermodynamic properties of aqueous species calculated using the HKF model: How do different thermodynamic and electrostatic models for solvent water affect calculated aqueous properties?
Geofluids. 2019; 2019: 5750390 (24 pp.). https://doi.org/10.1155/2019/5750390
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Monteiro PJM, Geng G, Marchon D, Li J, Alapati P, Kurtis KE, et al.
Advances in characterizing and understanding the microstructure of cementitious materials
Cement and Concrete Research. 2019; 124: 105806 (29 pp.). https://doi.org/10.1016/j.cemconres.2019.105806
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Nedyalkova L, Lothenbach B, Tits J, Wieland E, Mäder U
Effect of redox conditions on sulfur and selenium binding in AFm phases
In: Altmaier M, Montoya V, Duro L, Valls A, eds. Proceedings of the second workshop of the Horizon 2020 CEBAMA Project. Vol. 7752. KIT scientific reports. Karlsruhe: KIT Scientific Publishing; 2019:219-227. https://doi.org/10.5445/KSP/1000084618
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Nedyalkova L, Lothenbach B, Renaudin G, Mäder U, Tits J
Effect of redox conditions on the structure and solubility of sulfur- and selenium-AFm phases
Cement and Concrete Research. 2019; 123: 105803 (14 pp.). https://doi.org/10.1016/j.cemconres.2019.105803
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Nedyalkova L, Lothenbach B, Wieland E, Mäder U, Tits J
Iodine uptake by AFm phases
Presented at: 5th international workshop on mechanisms and modelling of waste / cement interaction; March 25-27, 2019; Karlsruhe, Germany.
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Phung QT, Seetharam S, Perko J, Maes N, Jacques D, Liu S, et al.
Long-term performance of cementitious materials used in nuclear waste disposal - a case study at SCK•CEN
In: Caspeele R, Taerwe L, Frangopol DM, eds. Life-cycle analysis and assessment in civil engineering: towards an integrated vision. Life-cycle of civil engineering systems. sine loco: Taylor & Francis; 2019:619-627.
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Poonoosamy J, Westerwalbesloh C, Deissmann G, Mahrous M, Curti E, Churakov SV, et al.
A microfluidic experiment and pore scale modelling diagnostics for assessing mineral precipitation and dissolution in confined spaces
Chemical Geology. 2019; 528: 119264 (16 pp.). https://doi.org/10.1016/j.chemgeo.2019.07.039
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Poonoosamy J, Deissmann G, Mahrous M, Curti E, Churakov S, Klinkenberg M, et al.
A microfluidic experiment and pore scale modelling for assessing mineral precipitation and dissolution in confined spaces
Presented at: Goldschmidt 2019; August 18-23, 2019; Barcelona, Spain.
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Safi MA, Mantzaras J, Prasianakis NI, Lamibrac A, Büchi FN
A pore-level direct numerical investigation of water evaporation characteristics under air and hydrogen in the gas diffusion layers of polymer electrolyte fuel cells
International Journal of Heat and Mass Transfer. 2019; 129: 1250-1262. https://doi.org/10.1016/j.ijheatmasstransfer.2018.10.042
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Shi Z, Geng G, Leemann A, Lothenbach B
Synthesis, characterization, and water uptake property of alkali-silica reaction products
Cement and Concrete Research. 2019; 121: 58-71. https://doi.org/10.1016/j.cemconres.2019.04.009
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Soler JM, Steefel CI, Gimmi T, Leupin OX, Cloet V
Modeling the ionic strength effect on diffusion in clay. The DR-A experiment at Mont Terri
ACS Earth and Space Chemistry. 2019; 3(3): 442-451. https://doi.org/10.1021/acsearthspacechem.8b00192
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Tits J, Wieland E
Formate and acetate stability under repository relevant conditions: what can we learn from the literature?
Presented at: 5th International workshop on mechanisms and modelling of waste / cement interaction; March 25-27, 2019; Karlsruhe, Germany.
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Yang Y, Patel RA, Churakov SV, Prasianakis NI, Kosakowski G, Wang M
Multiscale modeling of ion diffusion in cement paste: electrical double layer effects
Cement and Concrete Composites. 2019; 96: 55-65. https://doi.org/10.1016/j.cemconcomp.2018.11.008
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Yapparova A, Miron GD, Kulik DA, Kosakowski G, Driesner T
An advanced reactive transport simulation scheme for hydrothermal systems modelling
Geothermics. 2019; 78: 138-153. https://doi.org/10.1016/j.geothermics.2018.12.003
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Zhou Y, Orozco CA, Duque-Redondo E, Manzano H, Geng G, Feng P, et al.
Modification of poly(ethylene glycol) on the microstructure and mechanical properties of calcium silicate hydrates
Cement and Concrete Research. 2019; 115: 20-30. https://doi.org/10.1016/j.cemconres.2018.10.001
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