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Jenni A, Gimmi T, Mäder U
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A critical review of the solution chemistry, solubility, and thermodynamics of europium: recent advances on the Eu(III) hydrolysis
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Katheras AS, Karalis K, Krack M, Scheinost AC, Churakov SV
Stability and speciation of hydrated magnetite {111} surfaces from ab initio simulations with relevance for geochemical redox processes
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A pore-level 3D lattice Boltzmann simulation of mass transport and reaction in catalytic particles used for methane synthesis
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Li M, Zhu X, Zhang Y, Tsang DCW
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Mokos A, Patel RA, Karalis K, Churakov SV, Prasianakis NI
Surface controlled mechanism of water boiling for nuclear reactor fuel assembly
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Pan R, Gysi AP, Miron GD, Zhu C
Optimized thermodynamic properties of REE aqueous species (REE3+ and REEOH2+) and experimental database for modeling the solubility of REE phosphate minerals (monazite, xenotime, and rhabdophane) from 25 to 300 °C
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Peng H, Fei L, He X, Carmeliet J, Churakov SV, Prasianakis NI
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AI-enhanced X-ray diffraction analysis: towards real-time mineral phase identification and quantification
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Stefanini L, Walkley B, Provis JL
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Stefanini L, Ansari D, Walkley B, Provis JL
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Thermodynamic model of MSWI flue gas cooling path: Effect of flue gas composition on heavy metal binding forms
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Yang Y, Patel RA, Prasianakis NI, Churakov SV, Deissmann G, Bosbach D
Elucidating the role of water films on solute diffusion in unsaturated porous media by improved pore-scale modeling
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Yang Q, He X, Peng H
Lattice Boltzmann modelling of multicomponent and multiphase flow with high density ratio
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Zhang Y, Zhu X, Ma B, Wang L, Yan J, Tsang DCW
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Chen P, Churakov SV, Glaus M, Van Loon LR
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Probabilistic service life prediction of alkali activated concretes exposed to chloride induced corrosion
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He X, Peng H, Zhang J
A lattice Boltzmann investigation of liquid viscosity effects on the evolution of a cavitation bubble attached to chemically patterned walls
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He X, Song X, Peng H, Yuan H
A lattice Boltzmann study of the thermodynamics of an interaction between two cavitation bubbles
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He X, Song X, Zhang J, Peng H, Zhou S
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He X, Song X, Peng H, Huang W, Zhang J
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He X, Peng H, Zhang J, Yuan H
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He X, Peng H, Zhang J, Liu Y
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Hu G, Pfingsten W
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Theoretical and numerical constant mean curvature surface and liquid entry pressure calculations for a combined pillar-pore structure
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Validating the transition criteria from the Cassie-Baxter to the Wenzel state for periodically pillared surfaces with lattice Boltzmann simulations
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Relevance of diffuse-layer, Stern-layer and interlayers for diffusion in clays: a new model and its application to Na, Sr, and Cs data in bentonite
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Miron GD, Leal AMM, Dmytrieva SV, Kulik DA
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Preceramic polymers for additive manufacturing of silicate ceramics
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Van Loon LR, Bunic P, Frick S, Glaus MA, Wüst RAJ
Diffusion of HTO, 36Cl and 22Na in the Mesozoic rocks of northern Switzerland: I. effective diffusion coefficients and capacity factors across the heterogeneous sediment sequences
Applied Geochemistry. 2023; 159: 105843 (15 pp.). https://doi.org/10.1016/j.apgeochem.2023.105843
DORA PSI -
Wei X, Pan D, Tan Q, Shi X, Hou J, Tang Q, et al.
Surface charge property governing co-transport of illite colloids and Eu(III) in saturated porous media
Chinese Chemical Letters. 2023; 34(11): 108275 (7 pp.). https://doi.org/10.1016/j.cclet.2023.108275
DORA PSI -
Wersin P, Gimmi T, Ma J, Mazurek M, Zwahlen C, Aschwanden L, et al.
Porewater profiles of Cl and Br in boreholes penetrating the Mesozoic sequence in northern Switzerland
Applied Geochemistry. 2023; 159: 105845 (14 pp.). https://doi.org/10.1016/j.apgeochem.2023.105845
DORA PSI -
Wieland E, Miron GD, Ma B, Geng G, Lothenbach B
Speciation of iron(II/III) at the iron-cement interface: a review
Materials and Structures. 2023; 56(2): 31 (24 pp.). https://doi.org/10.1617/s11527-023-02115-x
DORA PSI -
Yan Y, Bernard E, Miron GD, Rentsch D, Ma B, Scrivener K, et al.
Kinetics of Al uptake in synthetic calcium silicate hydrate (C-S-H)
Cement and Concrete Research. 2023; 172: 107250 (39 pp.). https://doi.org/10.1016/j.cemconres.2023.107250
DORA PSI -
Yang S, Liu D, Yang Z, Xu J, Li Y
Experimental insight into the dissolution behavior and interaction of key components in shale-persulfate system
Gas Science and Engineering. 2023; 110: 204867 (11 pp.). https://doi.org/10.1016/j.jgsce.2022.204867
DORA PSI -
Yang Z, Ning Y, Wang C, Yang S, Zhang W, Dähn R, et al.
The sensitive mobility of Cr in ashes studied by SiO2-Al2O3-Fe2O3-CaO system
Environmental Pollution. 2023; 321: 121091 (10 pp.). https://doi.org/10.1016/j.envpol.2023.121091
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Zhu X, Zhang Y, Chen L, Wang L, Ma B, Li J, et al.
Bonding mechanisms and micro-mechanical properties of the interfacial transition zone (ITZ) between biochar and paste in carbon-sink cement-based composites
Cement and Concrete Composites. 2023; 139: 105004 (11 pp.). https://doi.org/10.1016/j.cemconcomp.2023.105004
DORA PSI -
Altmaier M, Bertrand J, Churakov S, Diomidis N
Long-term radionuclide retention in the near field: collaborative R&D studies within EURAD focusing on container optimisation, mobility, mechanisms and monitoring
EPJ Nuclear Sciences and Technologies. 2022; 8: 27 (12 pp.). https://doi.org/10.1051/epjn/2022022
DORA PSI -
Asaad A, Hubert F, Dazas B, Razafitianamaharavo A, Brunet J, Glaus MA, et al.
A baseline study of mineralogical and morphological properties of different size fractions of illite du Puy
Applied Clay Science. 2022; 224: 106517 (12 pp.). https://doi.org/10.1016/j.clay.2022.106517
DORA PSI -
Cametti G, Roos DP, Prieur D, Scheinost AC, Churakov SV
Pbx(OH)y cluster formation and anomalous thermal behaviour in STI framework-type zeolites
Scientific Reports. 2022; 12(1): 15934 (12 pp.). https://doi.org/10.1038/s41598-022-20317-1
DORA PSI -
Cametti G, Nagashima M, Churakov SV
Role of lone-pair electron localization in temperature-induced phase transitions in mimetite
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2022; B78: 618-626. https://doi.org/10.1107/S2052520622006254
DORA PSI -
Chen P, Van Loon LR, Fernandes M do SM, Churakov S
Sorption mechanism of Fe(II) on illite: sorption and modelling
Applied Geochemistry. 2022; 143: 105389 (8 pp.). https://doi.org/10.1016/j.apgeochem.2022.105389
DORA PSI -
Claret F, Dauzeres A, Jacques D, Sellin P, Cochepin B, De Windt L, et al.
Modelling of the long-term evolution and performance of engineered barrier system
EPJ Nuclear Sciences and Technologies. 2022; 8: 41 (15 pp.). https://doi.org/10.1051/epjn/2022038
DORA PSI -
Fleury M, Gimmi T, Mazurek M
Porewater content, pore structure and water mobility in clays and shales from NMR methods
Clays and Clay Minerals. 2022; 70: 417-437. https://doi.org/10.1007/s42860-022-00195-4
DORA PSI -
Geng G, Shi Z, Lothenbach B, Leemann A, Wieland E, Dähn R
A micro-XAS and XRD study of the crystalline alkali-silica reaction products
In: Lopes Batista A, Santos Silva A, Fernandes I, Oliveira Santos L, Custódio J, Serra C, eds. Proceedings of the 16th international conference on alkali-aggregate reaction in concrete (ICAAR). Vol. 1. Lisboa: Laboratório Nacional de Engenharia Civil (LNEC); 2022:15-23.
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Giordani M, Ballirano P, Pacella A, Meli MA, Roselli C, Di Lorenzo F, et al.
Another potentially hazardous zeolite from Northern Italy: fibrous mordenite
Minerals. 2022; 12(5): 627 (17 pp.). https://doi.org/10.3390/min12050627
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Guillemot T, Salazar G, Rauber M, Kunz D, Szidat S, Wieland E
Carbon-14 release and speciation during corrosion of irradiated steel under radioactive waste disposal conditions
Science of the Total Environment. 2022; 817: 152596 (9 pp.). https://doi.org/10.1016/j.scitotenv.2021.152596
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He X, Peng H, Zhang J, Yuan H
Multiple vapor cavitation bubble interactions with a thermal lattice Boltzmann method
Ocean Engineering. 2022; 266: 113058 (19 pp.). https://doi.org/10.1016/j.oceaneng.2022.113058
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He X, Yang Q, Peng H, Zhang J
Non-condensable gas bubble dissolution with a modified tunable surface tension multicomponent lattice Boltzmann model
Computers and Fluids. 2022; 233: 105252 (14 pp.). https://doi.org/10.1016/j.compfluid.2021.105252
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Izuo H, Nakarai K, Kulik DA
Twenty-two-year investigation of strength development and surface deterioration of cement-treated clay in an in-situ field test
Cement and Concrete Composites. 2022; 134: 104783 (10 pp.). https://doi.org/10.1016/j.cemconcomp.2022.104783
DORA PSI -
Jordan N, Thoenen T, Starke S, Spahiu K, Brendler V
A critical review of the solution chemistry, solubility, and thermodynamics of europium: recent advances on the Eu3+ aqua ion and the Eu(III) aqueous complexes and solid phases with the sulphate, chloride, and phosphate inorganic ligands
Coordination Chemistry Reviews. 2022; 473: 214608 (36 pp.). https://doi.org/10.1016/j.ccr.2022.214608
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Jäger T, Mokos A, Prasianakis NI, Leyer S
Pore-level multiphase simulations of realistic distillation membranes for water desalination
Membranes. 2022; 12(11): 1112 (22 pp.). https://doi.org/10.3390/membranes12111112
DORA PSI -
Khatoonabadi M, Prasianakis IN, Mantzaras J
Lattice Boltzmann modeling and simulation of velocity and concentration slip effects on the catalytic reaction rate of strongly nonequimolar reactions in microflows
Physical Review E. 2022; 106(6): 065305 (16 pp.). https://doi.org/10.1103/PhysRevE.106.065305
DORA PSI -
Kulik DA, Miron GD, Lothenbach B
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; 151: 106585 (21 pp.). https://doi.org/10.1016/j.cemconres.2021.106585
DORA PSI -
Liu X, Tournassat C, Grangeon S, Kalinichev AG, Takahashi Y, Marques Fernandes M
Molecular-level understanding of metal ion retention in clay-rich materials
Nature Reviews Earth & Environment. 2022; 3: 461-476. https://doi.org/10.1038/s43017-022-00301-z
DORA PSI -
Mahrous M, Curti E, Churakov SV, Prasianakis NI
Petrophysical initialization of core-scale reactive transport simulations on Indiana limestones: pore-scale characterization, spatial autocorrelations, and representative elementary volume analysis
Journal of Petroleum Science and Engineering. 2022; 213: 110389 (21 pp.). https://doi.org/10.1016/j.petrol.2022.110389
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Mattioli M, Ballirano P, Pacella A, Cangiotti M, Di Lorenzo F, Valentini L, et al.
Fibrous ferrierite from northern Italy: mineralogical characterization, surface properties, and assessment of potential toxicity
Minerals. 2022; 12(5): 626 (24 pp.). https://doi.org/10.3390/min12050626
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Metzler R, Rajyaguru A, Berkowitz B
Modelling anomalous diffusion in semi-infinite disordered systems and porous media
New Journal of Physics. 2022; 24(12): 123004 (13 pp.). https://doi.org/10.1088/1367-2630/aca70c
DORA PSI -
Miron GD, Kulik DA, Lothenbach B, Tits J
A new CASH+ solid solution model for cation uptake in cementitious materials used in wastemanagement
Presented at: NUWCEM 2022 - international symposium on cement-based materials for nuclear wastes; May 4-6, 2022; Avignon.
DORA PSI -
Miron GD, Kulik DA, Yan Y, Tits J, Lothenbach B
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; 152: 106667 (27 pp.). https://doi.org/10.1016/j.cemconres.2021.106667
DORA PSI -
Miron GD, Kulik DA, Lothenbach B
Porewater compositions of Portland cement with and without silica fume calculated using the fine-tuned CASH+NK solid solution model
Materials and Structures. 2022; 55(8): 212 (13 pp.). https://doi.org/10.1617/s11527-022-02045-0
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Mokos A, Violeau D, Sarret F, De Leffe M, Bercovitz Y
SPH modelling of the water nappe gravity fall over a dam
Journal of Hydraulic Research. 2022; 60(4): 606-618. https://doi.org/10.1080/00221686.2021.2022029
DORA PSI -
Nedyalkova L, Tits J, Renaudin G, Wieland E, Mäder U, Lothenbach B
Mechanisms and thermodynamic modelling of iodide sorption on AFm phases
Journal of Colloid and Interface Science. 2022; 608: 683-691. https://doi.org/10.1016/j.jcis.2021.09.104
DORA PSI -
Owusu JP, Karalis K, Prasianakis NI, Churakov SV
Mobility of dissolved gases in smectites under saturated conditions: effects of pore size, gas types, temperature, and surface interaction
Journal of Physical Chemistry C. 2022; 126(40): 17441-17455. https://doi.org/10.1021/acs.jpcc.2c05678
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Pearce BBJ, Deutsch L, Fry P, Marafatto FF, Lieu J
Going beyond the AHA! moment: insight discovery for transdisciplinary research and learning
Humanities and Social Sciences Communications. 2022; 9(1): 123 (10 pp.). https://doi.org/10.1057/s41599-022-01129-0
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Peng Y, He X, Peng H, Lin Y, Zhang J
Mesoscopic modeling of vapor cavitation bubbles collapse and interaction in near-wall region with a pseudopotential lattice Boltzmann method
Physics of Fluids. 2022; 34(9): 092012 (16 pp.). https://doi.org/10.1063/5.0099989
DORA PSI -
Sarraf F, Hadian A, Churakov SV, Clemens F
EVA-PVA binder system for polymer derived mullite made by material extrusion based additive manufacturing
Journal of the European Ceramic Society. 2022; 42: 530-541. https://doi.org/10.1016/j.jeurceramsoc.2022.10.009
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Stockmann M, Fritsch K, Bok F, Fernandes MM, Baeyens B, Steudtner R, et al.
New insights into U(VI) sorption onto montmorillonite from batch sorption and spectroscopic studies at increased ionic strength
Science of the Total Environment. 2022; 806(2): 150653 (13 pp.). https://doi.org/10.1016/j.scitotenv.2021.150653
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Voegelin A, Wick S, Pfenninger N, Mangold S, Baeyens B, Marques Fernandes M
Thallium adsorption onto phyllosilicate minerals
Environmental Science: Processes and Impacts. 2022; 24(9): 1343-1359. https://doi.org/10.1039/D2EM00028H
DORA PSI -
Wang K, Fernandez Martinez A, Simonelli L, Madé B, Hénocq P, Ma B, et al.
Redox interaction between selenite and mackinawite in cement pore water
Environmental Science and Technology. 2022; 56(9): 5602-5610. https://doi.org/10.1021/acs.est.2c00901
DORA PSI -
Wersin P, Mazurek M, Gimmi T
Porewater chemistry of Opalinus Clay revisited: findings from 25 years of data collection at the Mont Terri Rock Laboratory
Applied Geochemistry. 2022; 138: 105234 (12 pp.). https://doi.org/10.1016/j.apgeochem.2022.105234
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Yan Y, Ma B, Miron GD, Kulik DA, Scrivener K, Lothenbach B
Al uptake in calcium silicate hydrate and the effect of alkali hydroxide
Cement and Concrete Research. 2022; 162: 106957 (17 pp.). https://doi.org/10.1016/j.cemconres.2022.106957
DORA PSI -
Yan Y, Lothenbach B, Miron GD, Scrivener K
Effect of alkali hydroxide on calcium silicate hydrate (C-S-H)
Presented at: NUWCEM 2022 - international symposium on cement-based materials for nuclear wastes; May 4-6, 2022; Avignon.
DORA PSI -
Yan Y, Yang S-Y, Miron GD, Collings IE, L'Hôpital E, Skibsted J, et al.
Effect of alkali hydroxide on calcium silicate hydrate (C-S-H)
Cement and Concrete Research. 2022; 151: 106636 (22 pp.). https://doi.org/10.1016/j.cemconres.2021.106636
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Yang Q, He X, Peng H, Zhang J
Wall wettability effect on process of collapse of single cavitation bubbles in near-wall region using pseudo-potential lattice Boltzmann method
Heliyon. 2022; 8(12): e12636 (15 pp.). https://doi.org/10.1016/j.heliyon.2022.e12636
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Zhang Y, He M, Wang L, Yan J, Ma B, Zhu X, et al.
Biochar as construction materials for achieving carbon neutrality
Biochar. 2022; 4(1): 59 (25 pp.). https://doi.org/10.1007/s42773-022-00182-x
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Zhang Y, Wan Z, Wang L, Guo B, Ma B, Chen L, et al.
Designing magnesium phosphate cement for stabilization/solidification of Zn-Rich electroplating sludge
Environmental Science and Technology. 2022; 56(13): 9398-9407. https://doi.org/10.1021/acs.est.2c01450
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Adams DJ, Wang L, Steinle-Neumann G, Passerone D, Churakov SV
Anharmonic effects on the dynamics of solid aluminium from ab initio simulations
Journal of Physics: Condensed Matter. 2021; 33(17): 175501 (8 pp.). https://doi.org/10.1088/1361-648X/abc972
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Bernier F, Rey H, Govers K, De Clercq O, Pochet G, Surkova M, et al.
SITEX.Network benchmark on safety case reviewing approaches
Presented at: International conference on radioactive waste management: solutions for a sustainable future; November 1-5, 2021; Vienna , Austria.
DORA PSI -
Cametti G, Scheinost AC, Churakov SV
Cd2+ incorporation in small-pore LEV/ERI intergrown zeolites: a multi-methodological study
Microporous and Mesoporous Materials. 2021; 313: 110835 (11 pp.). https://doi.org/10.1016/j.micromeso.2020.110835
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Cramer K, Prasianakis NI, Niceno B, Ihli J, Holler M, Leyer S
Three-dimensional membrane imaging with X-ray ptychography: determination of membrane transport properties for membrane distillation
Transport in Porous Media. 2021; 138: 265-284. https://doi.org/10.1007/s11242-021-01603-4
DORA PSI -
Dan Miron G, Kulik DA, Lothenbach B
Incremental parameterisation of cash+ sublattice solid solution model against recent data for Na, K, and Al uptake in C-S-H
In: Pichler BLA, McDonald PJ, Lothenbach B, Scrivener K, Bortolotti V, Ben Haha M, eds. ERICA CASH II final conference. Wien: Technische Universität Wien; 2021:53-54.
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Detilleux V, Swahn J, Miksova J, Pellegrini D, Pfingsten W, Zeleznik N
SITEX_network for the development of sustainable and independent technical expertise on radioactive waste management: general overview of the network and its interactions with civil society
In: Challenges faced by technical and scientific support organizations (TSOs) in enhancing nuclear safety and security: ensuring effective and sustainable expertise. Proceedings series. Vienna: International Atomic Energy Agency (IAEA); 2021:93-97.
DORA PSI -
Di Lorenzo F, Arnold T, Churakov SV
Pb2+ uptake by magnesite: the competition between thermodynamic driving force and reaction kinetics
Minerals. 2021; 11(4): 415 (18 pp.). https://doi.org/10.3390/min11040415
DORA PSI -
Di Lorenzo F, Steiner K, Churakov SV
The effect of pH, ionic strength and the presence of PbII on the formation of calcium carbonate from homogenous alkaline solutions at room temperature
Minerals. 2021; 11(7): 783 (15 pp.). https://doi.org/10.3390/min11070783
DORA PSI -
Dähn R, Baeyens B, Fernandes MM
Zn uptake by illite and argillaceous rocks
Geochimica et Cosmochimica Acta. 2021; 312: 180-193. https://doi.org/10.1016/j.gca.2021.07.001
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Geng G, Barbotin S, Shakoorioskooie M, Shi Z, Leemann A, Sanchez DF, et al.
An in-situ 3D micro-XRD investigation of water uptake by alkali-silica-reaction (ASR) product
Cement and Concrete Research. 2021; 141: 106331 (8 pp.). https://doi.org/10.1016/j.cemconres.2020.106331
DORA PSI -
Glaus MA, Frick S, Van Loon LR
Competitive effects of cations on the diffusion properties of strongly sorbing trace cations in compacted illite and Opalinus Clay
ACS Earth and Space Chemistry. 2021; 5(10): 2621-2625. https://doi.org/10.1021/acsearthspacechem.1c00250
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Huang Y, Shao H, Wieland E, Kolditz O, Kosakowski G
Two-phase transport in a cemented waste package considering spatio-temporal evolution of chemical conditions
npj Materials Degradation. 2021; 5(1): 4 (14 pp.). https://doi.org/10.1038/s41529-021-00150-z
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Jaquenoud M, Elam WT, Grundl T, Gimmi T, Jakob A, Schefer S, et al.
In-situ X-ray fluorescence to investigate iodide diffusion in opalinus clay: demonstration of a novel experimental approach
Chemosphere. 2021; 269: 128674 (11 pp.). https://doi.org/10.1016/j.chemosphere.2020.128674
DORA PSI -
Karalis K, Zahn D, Prasianakis NI, Niceno B, Churakov SV
Deciphering the molecular mechanism of water boiling at heterogeneous interfaces
Scientific Reports. 2021; 11(1): 19858 (10 pp.). https://doi.org/10.1038/s41598-021-99229-5
DORA PSI -
Khatoonabadi M, Safi MA, Prasianakis NI, Roth J, Mantzaras J, Kirov N, et al.
Insights on the interaction of serpentine channels and gas diffusion layer in an operating polymer electrolyte fuel cell: numerical modeling across scales
International Journal of Heat and Mass Transfer. 2021; 181: 121859 (13 pp.). https://doi.org/10.1016/j.ijheatmasstransfer.2021.121859
DORA PSI -
Khatoonabadi M, Prasianakis NI, Mantzaras J
Lattice Boltzmann model with generalized wall boundary conditions for arbitrary catalytic reactivity
Physical Review E. 2021; 103(6): 063303 (13 pp.). https://doi.org/10.1103/PhysRevE.103.063303
DORA PSI -
Klinkenberg M, Brandt F, Baeyens B, Bosbach D, Fernandes MM
Adsorption of barium and radium on montmorillonite: a comparative experimental and modelling study
Applied Geochemistry. 2021; 135: 105117 (11 pp.). https://doi.org/10.1016/j.apgeochem.2021.105117
DORA PSI -
Krattiger N, Lothenbach B, Churakov SV
Sorption and electrochemical properties of ASR products and C-S-H: a comparative modelling study
In: Pichler BLA, McDonald PJ, Lothenbach B, Scrivener K, Bortolotti V, Ben Haha M, eds. ERICA CASH II final conference. Wien: Technische Universität Wien; 2021:69-70.
DORA PSI -
Krattiger N, Lothenbach B, Churakov SV
Sorption and electrokinetic properties of ASR product and C-S-H: a comparative modelling study
Cement and Concrete Research. 2021; 146: 106491 (11 pp.). https://doi.org/10.1016/j.cemconres.2021.106491
DORA PSI -
Krejci P, Gimmi T, Van Loon LR
On the concentration-dependent diffusion of sorbed cesium in Opalinus Clay
Geochimica et Cosmochimica Acta. 2021; 298: 149-166. https://doi.org/10.1016/j.gca.2021.01.012
DORA PSI -
Kulik DA, Winnefeld F, Kulik A, Miron GD, Lothenbach B
CemGEMS – an easy-to-use web application for thermodynamic modeling of cementitious materials
RILEM Technical Letters. 2021; 6: 36-52. https://doi.org/10.21809/rilemtechlett.2021.140
DORA PSI -
Leemann A, Bagheri M, Lothenbach B, Scrivener K, Barbotin S, Boehm-Courjault E, et al.
Alkali-silica reaction - a multidisciplinary approach
RILEM Technical Letters. 2021; 6: 169-187. https://doi.org/10.21809/RILEMTECHLETT.2021.151
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Ma B, Fernandez-Martinez A, Mancini A, Lothenbach B
Spectroscopic investigations on structural incorporation pathways of FeIII into zeolite frameworks in cement-relevant environments
Cement and Concrete Research. 2021; 140: 106304 (14 pp.). https://doi.org/10.1016/j.cemconres.2020.106304
DORA PSI -
Maier M-L, Patel RA, Prasianakis NI, Churakov SV, Nirschl H, Krause MJ
Coupling of multiscale lattice Boltzmann discrete-element method for reactive particle fluid flows
Physical Review E. 2021; 103(3): 033306 (15 pp.). https://doi.org/10.1103/PhysRevE.103.033306
DORA PSI -
Mancini A, Wieland E, Geng G, Lothenbach B, Wehrli B, Dähn R
Fe(II) interaction with cement phases: method development, wet chemical studies and X-ray absorption spectroscopy
Journal of Colloid and Interface Science. 2021; 588: 692-704. https://doi.org/10.1016/j.jcis.2020.11.085
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Mancini A, Lothenbach B, Geng G, Grolimund D, Sanchez DF, Fakra SC, et al.
Iron speciation in blast furnace slag cements
Cement and Concrete Research. 2021; 140: 106287 (18 pp.). https://doi.org/10.1016/j.cemconres.2020.106287
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Marafatto FF, Dähn R, Grolimund D, Göttlicher J, Voegelin A
Thallium sorption by soil manganese oxides: insights from synchrotron X-ray micro-analyses on a naturally thallium-rich soil
Geochimica et Cosmochimica Acta. 2021; 302: 193-208. https://doi.org/10.1016/j.gca.2021.03.011
DORA PSI -
Marsiske MR, Debus C, Di Lorenzo F, Bernard E, Churakov SV, Ruiz-Agudo C
Immobilization of (aqueous) cations in low pH M-S-H cement
Applied Sciences. 2021; 11(7): 2968 (18 pp.). https://doi.org/10.3390/app11072968
DORA PSI -
Molins S, Soulaine C, Prasianakis NI, Abbasi A, Poncet P, Ladd AJC, et al.
Simulation of mineral dissolution at the pore scale with evolving fluid-solid interfaces: review of approaches and benchmark problem set
Computational Geosciences. 2021; 25: 1285-1318. https://doi.org/10.1007/s10596-019-09903-x
DORA PSI -
Nakarai K, Shibata M, Sakamoto H, Owada H, Kosakowski G
Calcite precipitation at cement-bentonite interface. Part 1: effect of carbonate admixture in bentonite
Journal of Advanced Concrete Technology. 2021; 19(5): 433-446. https://doi.org/10.3151/jact.19.433
DORA PSI -
Nakarai K, Watanabe M, Koibuchi K, Kosakowski G
Calcite precipitation at cement-bentonite interface. Part 2: acceleration of transport by an electrical gradient
Journal of Advanced Concrete Technology. 2021; 19(5): 447-461. https://doi.org/10.3151/jact.19.447
DORA PSI -
Nedyalkova L, Tits J, Bernard E, Wieland E, Mäder U
Sorption experiments with HTO, 36-Cl, 125-I and 14-C labeled formate on aged cement matrices retrieved from long-term in-situ rock laboratory experiments
Journal of Advanced Concrete Technology. 2021; 19(7): 811-829. https://doi.org/10.3151/jact.19.811
DORA PSI -
Patel RA, Churakov SV, Prasianakis NI
A multi-level pore scale reactive transport model for the investigation of combined leaching and carbonation of cement paste
Cement and Concrete Composites. 2021; 115: 103831 (18 pp.). https://doi.org/10.1016/j.cemconcomp.2020.103831
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Patel RA, Prasianakis NI
Pore-scale numerical modeling tools for improving efficiency of direct carbon capture in compacts
In: Valente IB, Ventura Gouveia A, Dias SS, eds. Proceedings of the 3rd RILEM spring convention and conference (RSCC 2020). Volume 2: New materials and structures for ultra-durability. Vol. 33. RILEM bookseries. Cham: Springer Nature; 2021:141-149. https://doi.org/10.1007/978-3-030-76551-4_13
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Poonoosamy J, Mahrous M, Curti E, Bosbach D, Deissmann G, Churakov SV, et al.
A lab-on-a-chip approach integrating in-situ characterization and reactive transport modelling diagnostics to unravel (Ba,Sr)SO4 oscillatory zoning
Scientific Reports. 2021; 11(1): 23678 (15 pp.). https://doi.org/10.1038/s41598-021-02840-9
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Poonoosamy J, Wanner C, Alt Epping P, Águila JF, Samper J, Montenegro L, et al.
Benchmarking of reactive transport codes for 2D simulations with mineral dissolution-precipitation reactions and feedback on transport parameters
Computational Geosciences. 2021; 25(4): 1337-1358. https://doi.org/10.1007/s10596-018-9793-x
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Rajyaguru A, Wang J, Wittebroodt C, Bildstein O, Detilleux V, Lagneau V, et al.
Barite precipitation in porous media: impact of pore structure and surface charge on ionic diffusion
Journal of Contaminant Hydrology. 2021; 242: 103851 (11 pp.). https://doi.org/10.1016/j.jconhyd.2021.103851
DORA PSI -
Roos DP, Scheinost AC, Churakov SV, Nagashima M, Cametti G
On the nature of Pb species in Pb-exchanged zeolite stellerite (STI): a combined experimental and theoretical study
Microporous and Mesoporous Materials. 2021; 327: 111444 (8 pp.). https://doi.org/10.1016/j.micromeso.2021.111444
DORA PSI -
Sarraf F, Abbatinali E, Gorjan L, Sebastian T, Colombo P, Churakov SV, et al.
Effect of MgO sintering additive on mullite structures manufactured by fused deposition modeling (FDM) technology
Journal of the European Ceramic Society. 2021; 41(13): 6677-6686. https://doi.org/10.1016/j.jeurceramsoc.2021.06.012
DORA PSI -
Schliemann R, Churakov SV
Atomic scale mechanism of clay minerals dissolution revealed by ab initio simulations
Geochimica et Cosmochimica Acta. 2021; 293: 438-460. https://doi.org/10.1016/j.gca.2020.10.026
DORA PSI -
Schliemann R, Churakov SV
Pyrophyllite dissolution at elevated pressure conditions: an ab initio study
Geochimica et Cosmochimica Acta. 2021; 307: 42-55. https://doi.org/10.1016/j.gca.2021.05.017
DORA PSI -
Wick S, Baeyens B, Marques Fernandes M, Pfenninger N, Voegelin A
Exploring the geochemistry of thallium in soils by X-ray absorption spectroscopy and chemical soil extractions
Chimia. 2021; 75(1-2): 103. https://doi.org/10.2533/chimia.2021.103
DORA PSI -
Wolffers M, Eggenberger U, Schlumberger S, Churakov SV
Characterization of MSWI fly ashes along the flue gas cooling path and implications on heavy metal recovery through acid leaching
Waste Management. 2021; 134: 231-240. https://doi.org/10.1016/j.wasman.2021.08.022
DORA PSI -
Yang Z, Ning Y, He C, Li Y, Yang S, Yang B, et al.
Identification of the chromate sorption mechanism conversions in a quartz-montmorillonite-ferrihydrite system
ACS Earth and Space Chemistry. 2021; 6(1): 90-99. https://doi.org/10.1021/acsearthspacechem.1c00300
DORA PSI -
Águila JF, Montoya V, Samper J, Montenegro L, Kosakowski G, Krejci P, et al.
Modeling cesium migration through Opalinus clay: a benchmark for single- and multi-species sorption-diffusion models
Computational Geosciences. 2021; 25: 1405-1436. https://doi.org/10.1007/s10596-021-10050-5
DORA PSI -
Altmaier M, Lothenbach B, Metz V, Wieland E
Preface / special issue "Geochemistry research for cement-based materials in nuclear waste disposal applications"
Applied Geochemistry. 2020; 123: 104701 (3 pp.). https://doi.org/10.1016/j.apgeochem.2020.104701
DORA PSI -
Ayoub A, Pfingsten W, Podofillini L, Sansavini G
Uncertainty and sensitivity analysis of the chemistry of cesium sorption in deep geological repositories
Applied Geochemistry. 2020; 117: 104607 (12 pp.). https://doi.org/10.1016/j.apgeochem.2020.104607
DORA PSI -
Bae S, Jee H, Suh H, Kanematsu M, Shiro A, Machida A, et al.
Analysis of atomistic structural deformation characteristics of calcium silicate hydrate in 53-year-old tricalcium silicate paste using atomic pair distribution function
Construction and Building Materials. 2020; 237: 117714 (10 pp.). https://doi.org/10.1016/j.conbuildmat.2019.117714
DORA PSI -
Bonnail E, Cruz-Hernández P, Galleguillos S, Izquierdo T, Abad M
La contaminación metálica en la bahía de Chañaral (norte de Chile): retrospección, prospección y proyección
Geogaceta. 2020; 67: 59-62. https://sge.usal.es/archivos/geogacetas/geo67/Geo67_p59_62.pdf.
DORA PSI -
Cametti G, Churakov SV
Crystal structure of Ag-exchanged levyne intergrown with erionite: single-crystal X-ray diffraction and Molecular Dynamics simulations
American Mineralogist. 2020; 105(11): 1631-1638. https://doi.org/10.2138/am-2020-7500
DORA PSI -
Cametti G, Scheinost AC, Churakov SV
Structural evolution of Ag-LEV zeolite upon heating: an in situ single-crystal X-ray diffraction (SC-XRD) and X-ray absorption spectroscopy (XAS) study
ACS Omega. 2020; 5(49): 31774-31783. https://doi.org/10.1021/acsomega.0c04455
DORA PSI -
Churakov SV, Hummel W, Marques Fernandes M
Fundamental research on radiochemistry of geological nuclear waste disposal
Chimia. 2020; 74(12): 1000-1009. https://doi.org/10.2533/CHIMIA.2020.1000
DORA PSI -
Curti E, Kulik DA
Oxygen potential calculations for conventional and Cr-doped UO2 fuels based on solid solution thermodynamics
Journal of Nuclear Materials. 2020; 534: 152140 (18 pp.). https://doi.org/10.1016/j.jnucmat.2020.152140
DORA PSI -
Damiani LH, Kosakowski G, Glaus MA, Churakov SV
A framework for reactive transport modeling using FEniCS-Reaktoro: governing equations and benchmarking results
Computational Geosciences. 2020; 24: 1071-1085. https://doi.org/10.1007/s10596-019-09919-3
DORA PSI -
Di Lorenzo F, Cametti G, Vanhecke D, Churakov SV
The role of interfaces in controlling Pb2+ removal by calcium carbonate minerals
Crystal Growth and Design. 2020; 20(9): 6157-6169. https://doi.org/10.1021/acs.cgd.0c00906
DORA PSI -
Eichinger F, Gimmi T, Möri A, Rüedi J
Profiles of chloride in matrix porewater as natural tracer for matrix diffusion in crystalline rocks
Applied Geochemistry. 2020; 118: 104635 (12 pp.). https://doi.org/10.1016/j.apgeochem.2020.104635
DORA PSI -
Fazeli H, Masoudi M, Patel RA, Aagaard P, Hellevang H
Pore-scale modeling of nucleation and growth in porous media
ACS Earth and Space Chemistry. 2020; 4(2): 249-260. https://doi.org/10.1021/acsearthspacechem.9b00290
DORA PSI -
Geng G, Shi Z, Leemann A, Borca C, Huthwelker T, Glazyrin K, et al.
Atomistic structure of alkali-silica reaction products refined from X-ray diffraction and micro X-ray absorption data
Cement and Concrete Research. 2020; 129: 105958 (11 pp.). https://doi.org/10.1016/j.cemconres.2019.105958
DORA PSI -
Geng G, Shi Z, Leemann A, Glazyrin K, Kleppe A, Daisenberger D, et al.
Mechanical behavior and phase change of alkali-silica reaction products under hydrostatic compression
Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials. 2020; 76(4): 674-682. https://doi.org/10.1107/S205252062000846X
DORA PSI -
Glaus MA, Frick S, Van Loon LR
A coherent approach for cation surface diffusion in clay minerals and cation sorption models: diffusion of Cs+ and Eu3+ in compacted illite as case examples
Geochimica et Cosmochimica Acta. 2020; 274: 79-96. https://doi.org/10.1016/j.gca.2020.01.054
DORA PSI -
Grambow B, López-García M, Olmeda J, Grivé M, Marty NCM, Grangeon S, et al.
Retention and diffusion of radioactive and toxic species on cementitious systems: main outcome of the CEBAMA project
Applied Geochemistry. 2020; 112: 104480 (14 pp.). https://doi.org/10.1016/j.apgeochem.2019.104480
DORA PSI -
Guillemot T, Salazar G, Cvetković BZ, Kunz D, Szidat S, Wieland E
Determination of ultra-low concentrations of gaseous 14C-bearing hydrocarbons produced during corrosion of irradiated steel using accelerator mass spectrometry
Analyst. 2020; 145(24): 7870-7883. https://doi.org/10.1039/D0AN01517B
DORA PSI -
Guillemot T, Cvetković BZ, Kunz D, Wieland E
Processes leading to reduced and oxidised carbon compounds during corrosion of zero-valent iron in alkaline anoxic conditions
Chemosphere. 2020; 250: 126230 (8 pp.). https://doi.org/10.1016/j.chemosphere.2020.126230
DORA PSI -
Idiart A, Laviña M, Kosakowski G, Cochepin B, Meeussen JCL, Samper J, et al.
Reactive transport modelling of a low-pH concrete / clay interface
Applied Geochemistry. 2020; 115: 104562 (16 pp.). https://doi.org/10.1016/j.apgeochem.2020.104562
DORA PSI -
Kéri A, Dähn R, Marques Fernandes M, Scheinost AC, Krack M, Churakov SV
Iron adsorption on clays inferred from atomistic simulations and X-ray absorption spectroscopy
Environmental Science and Technology. 2020; 54(19): 11886-11893. https://doi.org/10.1021/acs.est.9b07962
DORA PSI
Prof. Dr. Andreas Pautz
Head of Center