LES Publication List (since 2018)

  • Albà A, Adelmann A, Münster L, Rochman D, Boiger R
    Fast uncertainty quantification of spent nuclear fuel with neural networks
    Annals of Nuclear Energy. 2024; 196: 110204 (8 pp.). https://doi.org/10.1016/j.anucene.2023.110204
    DORA PSI
  • Adams DJ, Churakov SV
    Classification of perovskite structural types with dynamical octahedral tilting
    IUCrJ. 2023; 10: 309-320. https://doi.org/10.1107/S2052252523002208
    DORA PSI
  • Caron R, Patel RA, Miron GD, Le Galliard C, Lothenbach B, Dehn F
    Microstructure development of slag activated with sodium silicate solution: experimental characterization and thermodynamic modeling
    Journal of Building Engineering. 2023; 71: 106398 (18 pp.). https://doi.org/10.1016/j.jobe.2023.106398
    DORA PSI
  • Chen P, Churakov SV, Glaus M, Van Loon LR
    Impact of Fe(II) on 99Tc diffusion behavior in illite
    Applied Geochemistry. 2023; 156: 105759 (9 pp.). https://doi.org/10.1016/j.apgeochem.2023.105759
    DORA PSI
  • Chen Y, Miranda de Lima L, Li Z, Ma B, Lothenbach B, Ying S, et al.
    Synthesis, characterization and solubility of sodium aluminosilicate hydrate (N-A-S-H) gel
    In: Further reduction of CO2-emission and circularity in the cement and concrete industry. Vol. 2. Duesseldorf: ICCC Permanent Secretariat; 2023:294-297.
    DORA PSI
  • 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
    Physics of Fluids. 2023; 35(9): 093303 (15 pp.). https://doi.org/10.1063/5.0169239
    DORA PSI
  • He X, Song X, Zhang J, Peng H, Zhou S
    Deciphering surface tension effects of double cavitation bubbles interaction: a lattice Boltzmann study
    International Journal of Thermal Sciences. 2023; 189: 108266 (21 pp.). https://doi.org/10.1016/j.ijthermalsci.2023.108266
    DORA PSI
  • He X, Song X, Peng H, Huang W, Zhang J
    Heat flux characteristics during growth and collapse of wall-attached cavitation bubbles with different wall wettability: a lattice Boltzmann study
    Ocean Engineering. 2023; 276: 114261 (15 pp.). https://doi.org/10.1016/j.oceaneng.2023.114261
    DORA PSI
  • He X, Peng H
    Modeling inception and evolution of near-wall vapor thermo-cavitation bubbles via a lattice Boltzmann method
    International Journal of Hydrogen Energy. 2023. https://doi.org/10.1016/j.ijhydene.2023.09.092
    DORA PSI
  • He X, Peng H, Zhang J, Yuan H
    Thermodynamics of the inception and interactions of multiple laser-produced cavitation bubbles using the lattice Boltzmann method
    Computers and Fluids. 2023; 252: 105771 (21 pp.). https://doi.org/10.1016/j.compfluid.2022.105771
    DORA PSI
  • He X, Peng H, Zhang J, Liu Y
    Wall wettability effects on the collapse of the attached vapor cavitation bubble with a thermal lattice Boltzmann method
    International Communications in Heat and Mass Transfer. 2023; 140: 106529 (20 pp.). https://doi.org/10.1016/j.icheatmasstransfer.2022.106529
    DORA PSI
  • Hu G, Pfingsten W
    Data-driven machine learning for disposal of high-level nuclear waste: a review
    Annals of Nuclear Energy. 2023; 180: 109452 (10 pp.). https://doi.org/10.1016/j.anucene.2022.109452
    DORA PSI
  • Hu G, Pfingsten W
    Machine learning-assisted heat transport modelling for full-scale emplacement experiment at Mont Terri underground laboratory
    International Journal of Heat and Mass Transfer. 2023; 213: 124290 (22 pp.). https://doi.org/10.1016/j.ijheatmasstransfer.2023.124290
    DORA PSI
  • Jäger T, Keup J, Prasianakis NI, Leyer S
    Theoretical and numerical constant mean curvature surface and liquid entry pressure calculations for a combined pillar-pore structure
    Coatings. 2023; 13(5): 865 (18 pp.). https://doi.org/10.3390/coatings13050865
    DORA PSI
  • Kolditz O, Jacques D, Claret F, Bertrand J, Churakov SV, Debayle C, et al.
    Digitalisation for nuclear waste management: predisposal and disposal
    Environmental Earth Sciences. 2023; 82(1): 42 (11 pp.). https://doi.org/10.1007/s12665-022-10675-4
    DORA PSI
  • Krejci P, Gimmi T, Van Loon LR, Glaus M
    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
    Applied Clay Science. 2023; 244: 107086 (12 pp.). https://doi.org/10.1016/j.clay.2023.107086
    DORA PSI
  • Marques Fernandes M, Klinkenberg M, Baeyens B, Bosbach D, Brandt F
    Adsorption of Ba and 226Ra on illite: a comparative experimental and modelling study
    Applied Geochemistry. 2023; 159: 105815 (18 pp.). https://doi.org/10.1016/j.apgeochem.2023.105815
    DORA PSI
  • Miron GD, Leal AMM, Dmytrieva SV, Kulik DA
    ThermoFun: A C++/Python library for computing standard thermodynamic properties of substances and reactions across wide ranges of temperatures and pressures
    Journal of Open Source Software. 2023; 8(83): 4624 (5 pp.). https://doi.org/10.21105/joss.04624
    DORA PSI
  • Mundra S, Tits J, Wieland E, Angst UM
    Aerobic and anaerobic oxidation of ferrous ions in near-neutral solutions
    Chemosphere. 2023; 335: 138955 (12 pp.). https://doi.org/10.1016/j.chemosphere.2023.138955
    DORA PSI
  • Owusu JP, Karalis K, Prasianakis NI, Churakov SV
    Diffusion and gas flow dynamics in partially saturated smectites
    Journal of Physical Chemistry C. 2023; 127(29): 14425-14438. https://doi.org/10.1021/acs.jpcc.3c02264
    DORA PSI
  • Qian Y, Scheinost AC, Grangeon S, Greneche J-M, Hoving A, Bourhis E, et al.
    Oxidation state and structure of Fe in nontronite: from oxidizing to reducing conditions
    ACS Earth and Space Chemistry. 2023; 7(10): 1868-1881. https://doi.org/10.1021/acsearthspacechem.3c00136
    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
  • 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
    DORA PSI
  • 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
  • Damiani LH, Kosakowski G, Vinsot A, Churakov SV
    Hydrogen gas transfer between a borehole and claystone: experiment and geochemical model
    Environmental Geotechnics. 2022. https://doi.org/10.1680/jenge.21.00061
    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.
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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.
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
    DORA PSI
  • 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
  • Leal AMM, Kyas S, Kulik DA, Saar MO
    Accelerating reactive transport modeling: on-demand machine learning algorithm for chemical equilibrium calculations
    Transport in Porous Media. 2020; 133: 161-204. https://doi.org/10.1007/s11242-020-01412-1
    DORA PSI
  • Li Q, Wang Y, Geng G, Chen H, Hou P, Cheng X, et al.
    Microstructural study of hydration of C3S in the presence of calcium nitrate using scanning transmission X-ray microscopy (STXM)
    Journal of Nanomaterials. 2020; 2020: 8419130 (9 pp.). https://doi.org/10.1155/2020/8419130
    DORA PSI
  • Luraschi P, Gimmi T, Van Loon LR, Shafizadeh A, Churakov SV
    Evolution of HTO and 36Cl- diffusion through a reacting cement-clay interface (OPC paste-Na montmorillonite) over a time of six years
    Applied Geochemistry. 2020; 119: 104581 (13 pp.). https://doi.org/10.1016/j.apgeochem.2020.104581
    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. 2020; 113: 104460 (15 pp.). https://doi.org/10.1016/j.apgeochem.2019.104460
    DORA PSI
  • Miron GD, Kulik DA, Thoenen T
    Generating isocoulombic reactions as a tool for systematic evaluation of temperature trends of thermodynamic properties: application to aquocomplexes of lanthanides and actinides
    Geochimica et Cosmochimica Acta. 2020; 286: 119-142. https://doi.org/10.1016/j.gca.2020.07.020
    DORA PSI
  • Nedyalkova L, Lothenbach B, Geng G, Mäder U, Tits J
    Uptake of iodide by calcium aluminate phases (AFm phases)
    Applied Geochemistry. 2020; 116: 104559 (13 pp.). https://doi.org/10.1016/j.apgeochem.2020.104559
    DORA PSI
  • Poonoosamy J, Klinkenberg M, Deissmann G, Brandt F, Bosbach D, Mäder U, et al.
    Effects of solution supersaturation on barite precipitation in porous media and consequences on permeability: experiments and modelling
    Geochimica et Cosmochimica Acta. 2020; 270: 43-60. https://doi.org/10.1016/j.gca.2019.11.018
    DORA PSI
  • Prasianakis NI, Haller R, Mahrous M, Poonoosamy J, Pfingsten W, Churakov SV
    Neural network based process coupling and parameter upscaling in reactive transport simulations
    Geochimica et Cosmochimica Acta. 2020; 291: 126-143. https://doi.org/10.1016/j.gca.2020.07.019
    DORA PSI
  • Shafizadeh A, Gimmi T, Van Loon LR, Kaestner AP, Mäder UK, Churakov SV
    Time-resolved porosity changes at cement-clay interfaces derived from neutron imaging
    Cement and Concrete Research. 2020; 127: 105924 (11 pp.). https://doi.org/10.1016/j.cemconres.2019.105924
    DORA PSI
  • Tournassat C, Steefel CI, Gimmi T
    Solving the Nernst-Planck equation in heterogeneous porous media with finite volume methods: averaging approaches at interfaces
    Water Resources Research. 2020; 56(3): e2019WR026832 (10 pp.). https://doi.org/10.1029/2019WR026832
    DORA PSI
  • Vespa M, Borca C, Huthwelker T, Lothenbach B, Dähn R, Wieland E
    Structural characterisation of magnesium (sodium) aluminium silicate hydrate (M-(N)-A-S-H) phases by X-ray absorption near-edge spectroscopy
    Applied Geochemistry. 2020; 123: 104750 (8 pp.). https://doi.org/10.1016/j.apgeochem.2020.104750
    DORA PSI
  • Wick S, Baeyens B, Marques Fernandes M, Göttlicher J, Fischer M, Pfenninger N, et al.
    Thallium sorption and speciation in soils: role of micaceous clay minerals and manganese oxides
    Geochimica et Cosmochimica Acta. 2020; 288: 83-100. https://doi.org/10.1016/j.gca.2020.07.037
    DORA PSI
  • Wieland E, Kosakowski G, Lothenbach B, Kulik DA
    Geochemical modelling of the effect of waste degradation processes on the long-term performance of waste forms
    Applied Geochemistry. 2020; 115: 104539 (15 pp.). https://doi.org/10.1016/j.apgeochem.2020.104539
    DORA PSI
  • Wielinski J, Femi Marafatto F, Gogos A, Scheidegger A, Voegelin A, Müller CR, et al.
    Synchrotron hard X-ray chemical imaging of trace element speciation in heterogeneous samples: development of criteria for uncertainty analysis
    Journal of Analytical Atomic Spectrometry. 2020; 35(3): 567-579. https://doi.org/10.1039/C9JA00394K
    DORA PSI
  • Yang G, Prasianakis NI, Churakov SV
    Comparative modeling of ions and solvent properties in Ca-Na montmorillonite by atomistic simulations and fluid density functional theory
    Clays and Clay Minerals. 2020; 68(2): 100-114. https://doi.org/10.1007/s42860-019-00058-5
    DORA PSI
  • 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
  • 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
    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 PbII 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
  • Guillemot T, Stockhecke M, Bechtel A, Ladd SN, Nelson DB, Schubert CJ
    Paleoenvironmental and paleoclimatic variations around Lake Van (Eastern Turkey) recorded by sedimentary source specific biomarkers 250–130 ka (MIS7 and MIS6)
    Quaternary Science Reviews. 2019; 225: 105997 (10 pp.). https://doi.org/10.1016/j.quascirev.2019.105997
    DORA PSI
  • 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.
    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
  • 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.
    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:(6 pp.).
    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
  • 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; 2019:219-227. 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; 2019:619-627.
    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
  • 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
    DORA PSI
  • Baeyens B, Marques Fernandes M
    Adsorption of heavy metals including radionuclides
    In: Schoonheydt R, Johnston CT, Bergaya F, eds. Surface and interface chemistry of clay minerals. Developments in clay science. Amsterdam: Elsevier; 2018:125-172. https://doi.org/10.1016/B978-0-08-102432-4.00005-6
    DORA PSI
  • Bestel M, Glaus MA, Frick S, Gimmi T, Juranyi F, Van Loon LR, et al.
    Combined tracer through-diffusion of HTO and 22Na through Na-montmorillonite with different bulk dry densities
    Applied Geochemistry. 2018; 93: 158-166. https://doi.org/10.1016/j.apgeochem.2018.04.008
    DORA PSI
  • Chen Y, Glaus MA, Van Loon LR, Mäder U
    Transport behaviour of low molecular weight organic compounds in multi-mineral clay systems. A comparison between measured and predicted values
    Applied Clay Science. 2018; 165: 247-256. https://doi.org/10.1016/j.clay.2018.08.004
    DORA PSI
  • Chen Y, Glaus MA, Van Loon LR, Mäder U
    Transport of low molecular weight organic compounds in compacted illite and kaolinite
    Chemosphere. 2018; 198: 226-237. https://doi.org/10.1016/j.chemosphere.2018.01.137
    DORA PSI
  • Churakov SV, Liu X
    Quantum-chemical modelling of clay mineral surfaces and clay mineral-surface-adsorbate interactions
    In: Schoonheydt R, Johnston CT, Bergaya F, eds. Surface and interface chemistry of clay minerals. Developments in clay science. Amsterdam: Elsevier; 2018:49-87. https://doi.org/10.1016/B978-0-08-102432-4.00003-2
    DORA PSI
  • Churakov SV, Prasianakis NI
    Review of the current status and challenges for a holistic process-based description of mass transport and mineral reactivity in porous media
    American Journal of Science. 2018; 318(9): 921-948. https://doi.org/10.2475/09.2018.03
    DORA PSI
  • Cvetković BZ, Salazar G, Kunz D, Szidat S, Wieland E
    Analysis of 14C-bearing compounds released by the corrosion of irradiated steel using accelerator mass spectrometry
    Analyst. 2018; 143(13): 3059-3067. https://doi.org/10.1039/c8an00237a
    DORA PSI
  • Cvetković BZ, Rothardt J, Büttler A, Kunz D, Schlotterbeck G, Wieland E
    Formation of low-molecular-weight organic compounds during anoxic corrosion of zero-valent iron
    Environmental Engineering Science. 2018; 35(5): 447-461. https://doi.org/10.1089/ees.2017.0216
    DORA PSI
  • Cvetković BZ, Salazar G, Kunz D, Tits J, Szidat S, Wieland E
    Quantification of dissolved organic 14C-containing compounds by accelerator mass spectrometry in a corrosion experiment with irradiated steel
    Radiocarbon. 2018; 60(6): 1711-1727. https://doi.org/10.1017/RDC.2018.90
    DORA PSI
  • Endrizzi F, Gaona X, Marques Fernandes M, Baeyens B, Altmaier M
    Solubility and hydrolysis of U(VI) in 0.5 mol/kg NaCl solutions at T = 22 and 80 °C
    The Journal of Chemical Thermodynamics. 2018; 120: 45-53. https://doi.org/10.1016/j.jct.2018.01.006
    DORA PSI
  • Fazeli H, Patel R, Hellevang H
    Effect of pore-scale mineral spatial heterogeneity on chemically induced alterations of fractured rock: a lattice Boltzmann study
    Geofluids. 2018; 2018: 6046182 (28 pp.). https://doi.org/10.1155/2018/6046182
    DORA PSI
  • Geng G, Vasin RN, Li J, Abdolhosseini Qomi MJ, Yan J, Wenk H-R, et al.
    Preferred orientation of calcium aluminosilicate hydrate induced by confined compression
    Cement and Concrete Research. 2018; 113: 186-196. https://doi.org/10.1016/j.cemconres.2018.09.002
    DORA PSI

Contact

Research Division
Nuclear Energy and Safety
Paul Scherrer Institute
OHSA/E72
5232 Villigen PSI
Switzerland

 

Andreas


Division Head
Prof. Dr. Andreas Pautz
E-mail: Andreas.Pautz@psi.ch

Maria Marques


Deputy Division Head
Dr. Maria Marques
E-mail: maria.marques@psi.ch

Ute


Executive Assistant
Ute D. Mayer
Telephone: +41 56 310 2740
E-mail: Ute.Mayer@psi.ch

Ramona


Assistant LEA
Ramona Dreier
Telephone: +41 56 310 2741
E-mail: Ramona.Dreier@psi.ch

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