Publications Current Year

2019

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
DORA PSI
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
DORA PSI
Di Lorenzo F, Ruiz-Agudo C, Churakov SV
The key effects of polymorphism during Pb^II uptake by calcite and aragonite
CrystEngComm. 2019; 21(41): 6145-6155. https://doi.org/10.1039/C9CE01040H
DORA PSI
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
DORA PSI
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
DORA PSI
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
DORA PSI
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
DORA PSI
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.
DORA PSI
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
DORA PSI
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.
DORA PSI
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.
DORA PSI
Krejci P, Gimmi T, Van Loon L
Modelling diffusion of sorbing cations in Opalinus Clay
Presented at: Goldschmidt; August 18-23, 2019; Barcelona.
DORA PSI
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
DORA PSI
Kéri AG
Mechanism of metal uptake by clay minerals ― X-ray spectroscopy and molecular modelling study
2019.
DORA PSI
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
DORA PSI
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
DORA PSI
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
DORA PSI
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
DORA PSI
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.
DORA PSI
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.
DORA PSI
Mancini A, Wieland E, Geng G, Dähn R, Skibsted J, Wehrli B, et al.
Fe(III) uptake by calcium silicate hydrates
Applied Geochemistry. 2019. https://doi.org/10.1016/j.apgeochem.2019.104460
DORA PSI
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
DORA PSI
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
DORA PSI
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
DORA PSI
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. https://doi.org/10.5445/KSP/1000084618
DORA PSI
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
DORA PSI
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.
DORA PSI
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.
DORA PSI
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
DORA PSI
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.
DORA PSI
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
DORA PSI
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
DORA PSI
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
DORA PSI
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.
DORA PSI
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
DORA PSI
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
DORA PSI