LES Publication List (since 2014)


  • A pore-level direct numerical investigation of water evaporation characteristics under air and hydrogen in the gas diffusion layers of polymer electrolyte fuel cells Safi Mohammad Amin, Mantzaras John, Prasianakis Nikolaos I, Lamibrac Adrien, Buchi Felix N
    DOI: 10.1016/j.ijheatmasstransfer.2018.10.042


  • A comparative anion diffusion study on different argillaceous, low permeability sedimentary rocks with various pore waters Wigger C, Kennell-Morrison L, Jensen M, Glaus M, Van Loon L
    APPLIED GEOCHEMISTRY 92, 157 (2018).
    DOI: 10.1016/j.apgeochem.2018.02.009
  • A new approach to coupled two-phase reactive transport simulation for long-term degradation of concrete Huang Y, Shao H, Wieland E, Kolditz O, Kosakowski G
    DOI: 10.1016/j.conbuildmat.2018.09.114
  • Actinide Sorption by Cementitious Materials Tits J, Wieland E
    PSI Bericht Nr 18-02, 1-88 (2018).
  • Analysis of 14 C-bearing compounds released by the corrosion of irradiated steel using accelerator mass spectrometry Cvetkovic BZ, Salazar G, Kunz D, Szidat S, Wieland E
    The Analyst 143, 3059 (2018).
    DOI: 10.1039/c8an00237a
  • Characterisation of magnesium silicate hydrate phases (M-S-H): A combined approach using synchrotron-based absorption-spectroscopy and ab initio calculations Vespa M, Lothenbach B, Dähn R, Huthwelker T, Wieland E
    DOI: 10.1016/j.cemconres.2018.03.011
  • Combined tracer through-diffusion of HTO and 22 Na through Na-montmorillonite with different bulk dry densities Bestel M, Glaus Martin A, Frick S, Gimmi T, Juranyi F, Van Loon Luc R, Diamond Larryn W
    APPLIED GEOCHEMISTRY 93, 158 (2018).
    DOI: 10.1016/j.apgeochem.2018.04.008
  • Corrigendum to ?Aqueous-solid solution thermodynamic model of U(VI) uptake in C-S-H phases? [Appl. Geochem. 27 (2012), 81?95] Gaona X, Kulik Dmitrii A, Macé N, Wieland E
    APPLIED GEOCHEMISTRY 90, 150 (2018).
    DOI: 10.1016/j.apgeochem.2017.10.009
  • Crystal growth and aggregation in suspensions of ?-MnO 2 nanoparticles: implications for surface reactivity Marafatto F, Lanson B, Peña J
    Environmental Science: Nano 5, 497 (2018).
    DOI: 10.1039/C7EN00817A
  • Diffusion- and pH-Dependent Reactivity of Layer-Type MnO 2 : Reactions at Particle Edges versus Vacancy Sites Wang Y, Benkaddour S, Marafatto F, Peña J
    DOI: 10.1021/acs.est.7b05820
  • Effect of the pore water composition on the diffusive anion transport in argillaceous, low permeability sedimentary rocks Wigger C, Van Loon LR
    DOI: 10.1016/j.jconhyd.2018.05.001
  • Experimental and Numerical Investigation of Fuel-Lean H-2/CO/Air and H-2/CH4/Air Catalytic Microreactors Sui Ran, Es-sebbar Et-touhami, Mantzaras John, Prasianakis Nikolaos I
    DOI: 10.1080/00102202.2017.1391231
  • Formation of Low-Molecular-Weight Organic Compounds During Anoxic Corrosion of Zero-Valent Iron Cvetkovic BZ, Rothardt J, Büttler A, Kunz D, Schlotterbeck G, Wieland E
    DOI: 10.1089/ees.2017.0216
  • Incorporating electrical double layers into reactive-transport simulations of processes in clays by using the Nernst-Planck equation: A benchmark revisited Alt-Epping P, Gimmi T, Wersin P, Jenni A
    APPLIED GEOCHEMISTRY 89, 1 (2018).
    DOI: 10.1016/j.apgeochem.2017.10.018
  • Investigation of Re(VII) diffusion in bentonite by through-diffusion and modeling techniques Wu T, Wang Z, Tong Y, Wang Y, Van Loon LR
    APPLIED CLAY SCIENCE 166, 223 (2018).
    DOI: 10.1016/j.clay.2018.08.023
  • Pore geometry as a limiting factor for anion diffusion in argillaceous rocks Wigger C, Plötze M, Van Loon LR
    CLAYS AND CLAY MINERALS 66, 329 (2018).
    DOI: 10.1346/CCMN.2018.064101
  • Retention of selenium by calcium aluminate hydrate (AFm) phases under strongly-reducing radioactive waste repository conditions Rojo H, Scheinost AC, Lothenbach B, Laube A, Wieland E, Tits J
    DALTON TRANSACTIONS 47, 4209 (2018).
    DOI: 10.1039/c7dt04824f
  • Sorption of Sr, Co and Zn on illite: Batch experiments and modelling including Co in-diffusion measurements on compacted samples Montoya V, Baeyens B, Glaus MA, Kupcik T, Marques Fernandes M, Van Laer L, Bruggeman C, Maes N, Schäfer T
    DOI: 10.1016/j.gca.2017.11.027
  • The influence of small pores on the anion transport properties of natural argillaceous rocks ? A pore size distribution investigation of Opalinus Clay and Helvetic Marl Wigger C, Gimmi T, Muller A, Van Loon LR
    APPLIED CLAY SCIENCE 156, 134 (2018).
    DOI: 10.1016/j.clay.2018.01.032
  • Thermodynamics of the solid solution - Aqueous solution system (Ba,Sr,Ra)SO 4 + H 2 O: I. The effect of strontium content on radium uptake by barite Vinograd VL, Kulik DA, Brandt F, Klinkenberg M, Weber J, Winkler B, Bosbach D
    APPLIED GEOCHEMISTRY 89, 59 (2018).
    DOI: 10.1016/j.apgeochem.2017.11.009
  • Transport behaviour of low molecular weight organic compounds in multi-mineral clay systems. A comparison between measured and predicted values Chen Y, Glaus MA, Van Loon LR, Mäder U
    APPLIED CLAY SCIENCE 165, 247 (2018).
    DOI: 10.1016/j.clay.2018.08.004
  • Transport of low molecular weight organic compounds in compacted illite and kaolinite Chen Y, Glaus Martin A, Van Loon Luc R, Mäder U
    CHEMOSPHERE 198, 226 (2018).
    DOI: 10.1016/j.chemosphere.2018.01.137
  • Upscaling Strategies of Porosity-Permeability Correlations in Reacting Environments from Pore-Scale Simulations Prasianakis Nikolaos I, Gatschet Michael, Abbasi Aida, Churakov Sergey V
    GEOFLUIDS , UNSP 9260603 (2018).
    DOI: 10.1155/2018/9260603


  • An internally consistent thermodynamic dataset for aqueous species in the system Ca-Mg-Na-K-Al-Si-O-H-C-Cl to 800 °C and 5 kbar Miron George D, Wagner T, Kulik D, Lothenbach B
    AMERICAN JOURNAL OF SCIENCE 317, 755 (2017).
    DOI: 10.2475/07.2017.01
  • An overview of computational methods for chemical equilibrium and kinetic calculations for geochemical and reactive transport modeling Leal AMM, Kulik DA, Smith WR, Saar MO
    PURE AND APPLIED CHEMISTRY 89, 597-643 (2017).
    DOI: 10.1515/pac-2016-1107
  • Benchmark computations for 3D two-phase flows: A coupled lattice Boltzmann-level set study Safi M, Prasianakis N, Turek S
    DOI: 10.1016/j.camwa.2016.12.014
  • Combined XAFS Spectroscopy and Ab Initio Study on the Characterization of Iron Incorporation by Montmorillonite Keri Annamaria, Dahn Rainer, Krack Matthias, Churakov Sergey V
    ENVIRONMENTAL SCIENCE & TECHNOLOGY 51, 10585-10594 (2017).
    DOI: 10.1021/acs.est.7b01670
  • Deciphering pore-level precipitation mechanisms Prasianakis NI, Curti E, Kosakowski G, Poonoosamy J, Churakov SV
    Scientific Reports 7, 13765 (2017).
    DOI: 10.1038/s41598-017-14142-0
  • Effect of Celestite Precipitation in Compacted Illite on the Diffusion of HTO, 36 Cl - , and 22 Na + Fukatsu Y, Van Loon LR, Shafizadeh A, Grolimund D, Ikeda Y, Tsukahara T
    Energy Procedia 131, 133 (2017).
    DOI: 10.1016/j.egypro.2017.09.450
  • Estimates of the influence of radionuclide solubility limits and sorption competition on the sorption values in the SDBs of MX-80 bentonite and Opalinus Clay Bradbury MH, Marques Fernandes M, Baeyens B
    Nagra NTB 17-11, - (2017).
  • Estimates of the influence of radionuclide solubility limits and sorption competition on the sorption values in the SDBs of MX-80 bentonite and Opalinus Clay Bradbury MH, Marques Fernandes M, Baeyens B
    PSI Bericht Nr 17-04, - (2017).
  • Experimental and pore-level numerical investigation of water evaporation in gas diffusion layers of polymer electrolyte fuel cells Safi Mohammad Amin, Prasianakis Nikolaos I, Mantzaras John, Lamibrac Adrien, Buchi Felix N
    DOI: 10.1016/j.ijheatmasstransfer.2017.07.050
  • Exploring diffusion and sorption processes at the Mont Terri rock laboratory (Switzerland): lessons learned from 20 years of field research Leupin Olivier X, Van Loon L, Gimmi T, Wersin P, Soler Josep M
    Swiss Journal of Geosciences 110, 391 (2017).
    DOI: 10.1007/s00015-016-0254-z
  • Importance of Interlayer Equivalent Pores for Anion Diffusion in Clay-Rich Sedimentary Rocks Wigger C, Van Loon LR
    DOI: 10.1021/acs.est.6b03781
  • Instant release of fission products in leaching experiments with high burn-up nuclear fuels in the framework of the Euratom project FIRST- Nuclides Lemmens K, González-Robles E, Kienzler B, Curti E, Serrano-Purroy D, Sureda R, Martínez-Torrents A, Roth O, Slonszki E, Mennecart T, Günther-Leopold I, Hózer Z
    DOI: 10.1016/j.jnucmat.2016.10.048
  • Interaction of ordinary Portland cement and Opalinus Clay: Dual porosity modelling compared to experimental data Jenni A, Gimmi T, Alt-Epping P, Mäder U, Cloet V
    Physics and Chemistry of the Earth, Parts A/B/C 99, 22 (2017).
    DOI: 10.1016/j.pce.2017.01.004
  • Porewater Chemistry in Claystones in the Context of Radioactive Waste Disposal Wersin P, Traber D, Mäder UK, Mazurek M, Waber HN, Rufer D, Gimmi T, Cloet V
    Procedia Earth and Planetary Science 17, 718 (2017).
    DOI: 10.1016/j.proeps.2016.12.182
  • Radioactive Waste Confinement: Clays in Natural and Engineered Barriers Meng S, Pfingsten W
    Geological Society, London, Special Publications 443, 211 (2017).
  • Reactive Transport Modelling of Dolomitisation Using the New CSMP++GEM Coupled Code: Governing Equations, Solution Method and Benchmarking Results Yapparova A, Gabellone T, Whitaker F, Kulik Dmitrii A, Matthäi Stephan K
    TRANSPORT IN POROUS MEDIA 117, 385 (2017).
    DOI: 10.1007/s11242-017-0839-7
  • Reactive transport modelling of hydrothermal dolomitisation using the CSMP++GEM coupled code: Effects of temperature and geological heterogeneity Yapparova A, Gabellone T, Whitaker F, Kulik D, Matthäi Stephan K
    CHEMICAL GEOLOGY 466, 562 (2017).
    DOI: 10.1016/j.chemgeo.2017.07.005
  • Reinvestigation of the zemannite structure and its dehydration behavior: a single-crystal X-ray and atomistic simulation study Cametti Georgia, Churakov Sergey, Armbruster Thomas
    DOI: 10.1127/ejm/2017/0029-2587
  • Salt effects on Re(VII) and Se(IV) diffusion in bentonite Wu T, Wang Z, Wang H, Zhang Z, Van Loon Luc R
    APPLIED CLAY SCIENCE 141, 104 (2017).
    DOI: 10.1016/j.clay.2017.02.021
  • Soft X-ray absorption near-edge investigations of Mg-containing mineral phases relevant for cementitious materials Vespa M, Dähn R, Huthwelker T, Wieland E
    Physics and Chemistry of the Earth, Parts A/B/C 99, 168 (2017).
    DOI: 10.1016/j.pce.2017.03.006
  • Thallium Adsorption onto Illite Wick S, Baeyens B, Marques Fernandes M, Voegelin A
    DOI: 10.1021/acs.est.7b04485
  • The development of a thermodynamic sorption data base for illite and the application to arggilaceous rocks Bradbury MH, Baeyens B
    Nagra NTB 17-14, - (2017).
  • The development of a thermodynamic sorption data base for illite and the application to argillaceous rocks Bradbury MH, Baeyens B
    PSI Bericht Nr 17-06, - (2017).
  • The development of a thermodynamic sorption data base for montmorillonite and the application to bentonite Baeyens B, Bradbury MH
    PSI Bericht Nr 17-05, - (2017).
  • The development of a thermodynamic sorption data base for montmorillonite and the application to bentonite Baeyens B, Bradbury MH
    Nagra NTB 17-13, - (2017).
  • Thermodynamics and Molecular Mechanism of Al Incorporation in Calcium Silicate Hydrates Churakov Sergey V, Labbez Christophe
    JOURNAL OF PHYSICAL CHEMISTRY C 121, 4412-4419 (2017).
    DOI: 10.1021/acs.jpcc.6b12850
  • Thermodynamics of the solid solution - Aqueous solution system (Ba,Sr,Ra)SO 4 + H 2 O: II. Radium retention in barite-type minerals at elevated temperatures Vinograd VL, Kulik DA, Brandt F, Klinkenberg M, Weber J, Winkler B, Bosbach D
    APPLIED GEOCHEMISTRY -, S0883292717303256 (2017).
    DOI: 10.1016/j.apgeochem.2017.10.019


  • 3. Ab initio simulations of mineral surfaces: Recent advances in numerical methods and selected applications Churakov SV
    Highlights in Mineralogical Crystallography 3, 75 (2016).
    DOI: 10.1515/9783110417104
  • Alkali uptake in calcium alumina silicate hydrate (C-A-S-H) L'Hôpital E, Lothenbach B, Scrivener K, Kulik DA
    DOI: 10.1016/j.cemconres.2016.03.009
  • An experimental and numerical investigation of the combustion and heat transfer characteristics of hydrogen-fueled catalytic microreactors Sui Ran, Prasianakis Nikolaos I, Mantzaras John, Mallya Nithin, Theile Juergen, Lagrange Damien, Friess Martin
    CHEMICAL ENGINEERING SCIENCE 141, 214-230 (2016).
    DOI: 10.1016/j.ces.2015.10.034
  • Application of micro X-ray diffraction to investigate the reaction products formed by the alkali-silica reaction in concrete structures Dähn R, Arakcheeva A, Schaub Ph, Pattison P, Chapuis G, Grolimund D, Wieland E, Leemann A
    CEMENT AND CONCRETE RESEARCH 79, 49-56 (2016).
    DOI: 10.1016/j.cemconres.2015.07.012
  • Barite precipitation following celestite dissolution in a porous medium: A SEM/BSE and mu-XRD/XRF study Poonoosamy J, Curti E, Kosakowski G, Grolimund D, Van Loon L R, Mader U
    GEOCHIMICA ET COSMOCHIMICA ACTA 182, 131-144 (2016).
    DOI: 10.1016/j.gca.2016.03.011
  • Combined X-ray microanalytical study of the Nd uptake capability of argillaceous rocks Kéri A, Osán J, Fábián M, Dähn R, Török S
    X-RAY SPECTROMETRY 45, 54 (2016).
    DOI: 10.1002/xrs.2656
  • Computational methods for reactive transport modeling: A Gibbs energy minimization approach for multiphase equilibrium calculations Leal Allan MM, Kulik Dmitrii A, Kosakowski G
    ADVANCES IN WATER RESOURCES 88, 231-240 (2016).
    DOI: 10.1016/j.advwatres.2015.11.021
  • Computational methods for reactive transport modeling: An extended law of mass-action, xLMA, method for multiphase equilibrium calculations Leal Allan MM, Kulik Dmitrii A, Kosakowski G, Saar Martin O
    DOI: 10.1016/j.advwatres.2016.08.008
  • Constraining porewater chemistry in a 250m thick argillaceous rock sequence Wersin P, Mazurek M, Mäder Urs K, Gimmi T, Rufer D, Lerouge C, Traber D
    CHEMICAL GEOLOGY 434, 43 (2016).
    DOI: 10.1016/j.chemgeo.2016.04.006
  • Enabling Gibbs energy minimization algorithms to use equilibrium constants of reactions in multiphase equilibrium calculations Leal Allan MM, Kulik Dmitrii A, Saar Martin O
    CHEMICAL GEOLOGY 437, 170 (2016).
    DOI: 10.1016/j.chemgeo.2016.05.029
  • Influence of calcium to silica ratio on aluminium uptake in calcium silicate hydrate L?Hôpital E, Lothenbach B, Kulik DA, Scrivener K
    DOI: 10.1016/j.cemconres.2016.01.014
  • Internally consistent thermodynamic data for aqueous species in the system Na?K?Al?Si?O?H?Cl Miron George D, Wagner T, Kulik Dmitrii A, Heinrich Christoph A
    DOI: 10.1016/j.gca.2016.04.026
  • Microscopic Chemical Imaging: A Key to Understand Ion Mobility in Tight Formations Grolimund D, Wang HAO, Van Loon LR, Marone F, Diaz N, Kaestner A, Jakob A
    CMS Workshop Lecture Series in: Filling the Gaps ? from Microscopic Pore Structures to Transport Properties in Shales (T. Schäfer, R. Dohrmann, and H.C. Greenwell, editors). CMS Workshop Lectures, 21 9, 105-128 (2016).
    DOI: 10.1346/CMS-WLS-21.9
  • Multispecies random walk simulations in radial symmetry: model concept, benchmark, and application to HTO, 22 Na and 36 Cl diffusion in clay Meng S, Pfingsten W
    Geological Society, London, Special Publications -, SP443.15 (2016).
    DOI: 10.1144/SP443.15
  • Neptunium characterization in uranium dioxide fuel: Combining a XAFS and a thermodynamic approach Chollet M, Martin P, Degueldre C, Poonoosamy J, Belin R C, Hennig C
    JOURNAL OF ALLOYS AND COMPOUNDS 662, 448-454 (2016).
    DOI: 10.1016/j.jallcom.2015.12.005
  • Numerical Simulation of Reactive Fluid Flow on Unstructured Meshes Fowler S, Kosakowski G, Driesner T, Kulik Dmitrii A, Wagner T, Wilhelm S, Masset O
    TRANSPORT IN POROUS MEDIA 112(1), 283-312 (2016).
    DOI: 10.1007/s11242-016-0645-7
  • Re(VII) diffusion in bentonite: Effect of organic compounds, pH and temperature Wu T, Wang Z, Li Q, Pan G, Li J, Van Loon LR
    APPLIED CLAY SCIENCE 127-128, 10 (2016).
    DOI: 10.1016/j.clay.2016.03.039
  • Reactive Transport in "Thermo-Hydro-Mechanical-Chemical Processes in Fractured Porous Media: Modelling and Benchmarking" He W, Poonoosamy J, Kosakowski G, Van Loon LR, Maeder U, Kalbacher T
    Springer International Publishing Switzerland , pp 179-197 (2016).
    DOI: 10.1007/978-3-319-29224-3_10
  • Sorption and diffusion studies with low molecular weight organic compounds in cementitious systems Wieland E, Jakob A, Tits J, Lothenbach B, Kunz D
    APPLIED GEOCHEMISTRY 67, 101-117 (2016).
    DOI: 10.1016/j.apgeochem.2016.01.009
  • Sorption of trivalent lanthanides and actinides onto montmorillonite: Macroscopic, thermodynamic and structural evidence for ternary hydroxo and carbonato surface complexes on multiple sorption sites Marques Fernandes M, Scheinost AC, Baeyens B
    WATER RESEARCH 99, 74 (2016).
    DOI: 10.1016/j.watres.2016.04.046


  • A luminescence line-narrowing spectroscopic study of the uranium(VI) interaction with cementitious materials and titanium dioxide Tits J, Walther C, Stumpf T, Mace N, Wieland E
    DALTON TRANSACTIONS 44, 966 (2015).
    DOI: 10.1039/c4dt02172j
  • A modified version of Archie's law to estimate effective diffusion coefficients of radionuclides in argillaceous rocks and its application in safety analyses Van Loon LR, Mibus J
    APPLIED GEOCHEMISTRY 59, 85 (2015).
    DOI: 10.1016/j.apgeochem.2015.04.002
  • Cation diffusion in the electrical double layer enhances the mass transfer rates for Sr2+, Co2+ and Zn2+ in compacted illite Glaus M A, Aertsens M, Appelo C A J, Kupcik T, Maes N, Van Laer L, Van Loon L R
    GEOCHIMICA ET COSMOCHIMICA ACTA 165, 376-388 (2015).
    DOI: 10.1016/j.gca.2015.06.014
  • Characteristics of uranium uptake of Boda Claystone Formation as the candidate host rock of high level radioactive waste repository in Hungary Breitner Daniel, Osan Janos, Fabian Margit, Zagyvai Peter, Szabo Csaba, Daehn Rainer, Fernandes Maria Marques, Sajo Istvan E, Mathe Zoltan, Toeroek Szabina
    Environmental Earth Sciences 73, 209-219 (2015).
    DOI: 10.1007/s12665-014-3413-4
  • Characterization of selenium in UO2 spent nuclear fuel by micro X-ray absorption spectroscopy and its thermodynamic stability Curti E, Puranen A, Grolimund D, Jädernas D, Sheptyakov D, Mesbah A
    Environmental Science-Processes & Impacts 17, 1760-1768 (2015).
    DOI: 10.1039/c5em00275c
  • Decalcification of cracked cement structures Perko Janez, Mayer K Ulrich, Kosakowski Georg, DeWindt Laurent, Govaerts Joan, Jacques Diederik, Su Danyang, Meeussen Johannes C L
    COMPUTATIONAL GEOSCIENCES 19, 673-693 (2015).
    DOI: 10.1007/s10596-014-9467-2
  • Differential alteration of basaltic lava flows and hyaloclastites in Icelandic hydrothermal systems Thien Bruno MJ, Kosakowski G, Kulik Dmitrii A
    Geothermal Energy 3(1), 11 (2015).
    DOI: 10.1186/s40517-015-0031-7
  • Dissolution-precipitation processes in tank experiments for testing numerical models for reactive transport calculations: Experiments and modelling Poonoosamy J, Kosakowski G, Van Loon LR, Maeder U
    DOI: 10.1016/j.jconhyd.2015.02.007
  • Formation and stability of 14C-containing organic compounds in alkaline iron-water systems: preliminary assessment based on a literature survey and thermodynamic modelling Wieland E, Hummel W
    MINERALOGICAL MAGAZINE 79, 1275 (2015).
    DOI: 10.1180/minmag.2015.079.6.03
  • GEMSFITS: Code package for optimization of geochemical model parameters and inverse modeling Miron George D, Kulik Dmitrii A, Dmytrieva Svitlana V, Wagner T
    APPLIED GEOCHEMISTRY 55, 28 (2015).
    DOI: 10.1016/j.apgeochem.2014.10.013
  • Identification of the Thermodynamically Stable Fe-Containing Phase in Aged Cement Pastes Vespa Marika, Wieland Erich, Daehn Rainer, Lothenbach Barbara
    DOI: 10.1111/jace.13542
  • Incorporation of aluminium in calcium-silicate-hydrates L Hopital E, Lothenbach B, Le Saout G, Kulik D, Scrivener K
    DOI: 10.1016/j.cemconres.2015.04.007
  • Model for the interpretation of nuclear magnetic resonance relaxometry of hydrated porous silicate materials Faux D A, Cachia S -H P, McDonald P J, Bhatt J S, Howlett N C, Churakov S V
    PHYSICAL REVIEW E 91, 032311 (2015).
    DOI: 10.1103/PhysRevE.91.032311
  • Predicting the uptake of Cs, Co, Ni, Eu, Th and U on argillaceous rocks using sorption models for illite Marques Fernandes M, Vér N, Baeyens B
    APPLIED GEOCHEMISTRY 59, 189 (2015).
  • Quantification of water content across a cement-clay interface using high resolution neutron radiography Shafizadeh A, Gimmi T, Van Loon LR, Kaestner A, Lehmann E, Maeder UK, Churakov SV
    PHYSICS PROCEDIA 69, 516-523 (2015).
    DOI: 10.1016/j.phpro.2015.07.073
  • Reconstruction of in-situ porosity and porewater compositions of low-permeability crystalline rocks: Magnitude of artefacts induced by drilling and sample recovery Meier DB, Waber HN, Gimmi T, Eichinger F, Diamond LW
    DOI: 10.1016/j.jconhyd.2015.10.006
  • Replacement of barite by a (Ba,Ra)SO4 solid solution at close-to-equilibrium conditions: A combined experimental and theoretical study Brandt F, Curti E, Klinkenberg M, Rozov K, Bosbach D
    DOI: 10.1016/j.gca.2015.01.016
  • Treatment of boundary conditions in through-diffusion: A case study of Sr-85(2+) diffusion in compacted illite Glaus M A, Aertsens M, Maes N, Van Laer L, Van Loon L R
    JOURNAL OF CONTAMINANT HYDROLOGY 177-178, 239-248 (2015).
    DOI: 10.1016/j.jconhyd.2015.03.010
  • Treatment of multi-dentate surface complexes and diffuse layer implementation in various speciation codes Lützenkirchen J, Marsac R, Kulik Dmitrii A, Payne Timothy E, Xue Z, Orsetti S, Haderlein Stefan B
    APPLIED GEOCHEMISTRY 55, 128 (2015).
    DOI: 10.1016/j.apgeochem.2014.07.006


  • A comparative molecular dynamics study of crystalline, paracrystalline and amorphous states of cellulose Kulasinski Karol, Keten Sinan, Churakov Sergey V, Derome Dominique, Carmeliet Jan
    CELLULOSE 21, 1103-1116 (2014).
    DOI: 10.1007/s10570-014-0213-7
  • A modified version of the combined in-diffusion/abrasive peeling technique for measuring diffusion of strongly sorbing radionuclides in argillaceous rocks: a test study on the diffusion of caesium in Opalinus Clay Van Loon LR, Mueller W
    DOI: 10.1016/j.apradiso.2014.04.009
  • A new aqueous activity model for geothermal brines in the system Na-K-Ca-Mg-H-Cl-SO4-H2O from 25 to 300 degrees C Hingerl FF, Wagner T, Kulik DA, Thomsen K, Driesner T
    CHEMICAL GEOLOGY 381, 78-93 (2014).
    DOI: 10.1016/j.chemgeo.2014.05.007
  • A simple way to constrain the stoichiometry of secondary smectites upon aqueous glass alteration Thien BMJ
    APPLIED GEOCHEMISTRY 42, 45 (2014).
  • A unified approach to model uptake kinetics of trace elements in complex aqueous - Solid solution systems Thien BMJ, Kulik DA, Curti E
    APPLIED GEOCHEMISTRY 41, 135 (2014).
  • Anisotropic diffusion at the field scale in a 4-year multi-tracer diffusion and retention experiment - I: Insights from the experimental data Gimmi Thomas, Leupin Olivier X, Eikenberg Jost, Glaus Martin A, Van Loon Luc R, Waber H Niklaus, Wersin Paul, Wang Hao A O, Grolimund Daniel, Borca Camelia N, Dewonck Sarah, Wittebroodt Charles
    GEOCHIMICA ET COSMOCHIMICA ACTA 125, 373-393 (2014).
    DOI: 10.1016/j.gca.2013.10.014
  • Comparison between host rock and bentonite sorption measurements and predictions using the SDB approach applied in the provisional safety analyses for SGT-E2 Baeyens B, Marques Fernandes M, Bradbury MH
    Nagra NTB 12-05, - (2014).
  • Competition behaviour of metal uptake in cementitious systems: An XRD and EXAFS investigation of Nd- and Zn-loaded 11 angstrom tobermorite Vespa M, Daehn R, Wieland E
    PHYSICS AND CHEMISTRY OF THE EARTH 70-71, 32-38 (2014).
    DOI: 10.1016/j.pce.2014.01.001
  • Competitive Fe(II)-Zn(II) Uptake on a Synthetic Montmorillonite Soltermann D, Marques Fernandes M, Brendle J, Baeyens B, Daehn R
    DOI: 10.1021/es402783r
  • Determination of the C-14 Content in Activated Steel Components from a Neutron Spallation Source and a Nuclear Power Plant Schumann Dorothea, Stowasser Tanja, Volmert Benjamin, Guenther-Leopold Ines, Linder Hanspeter, Wieland Erich
    ANALYTICAL CHEMISTRY 86, 5448-5454 (2014).
    DOI: 10.1021/ac500654a
  • Diffusion behavior of Se(IV) and Re(VII) in GMZ bentonite Wu T, Wang H, Zheng Q, Zhao YL, Van Loon LR
    APPLIED CLAY SCIENCE 101, 136 (2014).
    DOI: 10.1016/j.clay.2014.07.028
  • Effective diffusion coefficients and porosity values for argillaceous rocks and bentonite: Measured and estimated values for the provisional safety analyses for SGT-E2 Van Loon LR
    Nagra NTB 12-03, - (2014).
  • Fe(II) Uptake on Natural Montmorillonites. I. Macroscopic and Spectroscopic Characterization Soltermann D, Marques Fernandes M, Baeyens B, Daehn R, Josh P, Scheinost A, Gorski C
    ENVIRONMENTAL SCIENCE & TECHNOLOGY 48, 8688-8697 (2014).
    DOI: 10.1021/es501887q
  • Fe(II) Uptake on Natural Montmorillonites. II. Surface Complexation Modeling Soltermann D, Baeyens B, Bradbury M, Marques Fernandes M
    ENVIRONMENTAL SCIENCE & TECHNOLOGY 48, 8698-8705 (2014).
    DOI: 10.1021/es501902f
  • Fe-containing phases in hydrated cements Dilnesa B Z, Wieland E, Lothenbach B, Daehn R, Scrivener K L
    CEMENT AND CONCRETE RESEARCH 58, 45-55 (2014).
    DOI: 10.1016/j.cemconres.2013.12.012
  • GEMSFIT: a generic fitting tool for geochemical activity models Hingerl FF, Kosakowski G, Wagner T, Kulik DA, Driesner T
    COMPUTATIONAL GEOSCIENCES 18, 227-242 (2014).
    DOI: 10.1007/s10596-014-9405-3
  • Geochemical evolution of the L/ILW near field Kosakowski G, Berner U, Wieland E, Glaus M, Degueldre C
    Nagra NTB 14-11, 1 (2014).
  • Hydration of a silica fume blended low-alkali shotcrete cement Lothenbach Barbara, Rentsch Daniel, Wieland Erich
    PHYSICS AND CHEMISTRY OF THE EARTH 70-71, 3-16 (2014).
    DOI: 10.1016/j.pce.2013.09.007
  • Influence of superplasticizers on the long-term properties of cement pastes and possible impact on radionuclide uptake in a cement-based repository for radioactive waste Wieland E, Lothenbach B, Glaus M A, Thoenen T, Schwyn B
    APPLIED GEOCHEMISTRY 49, 126-142 (2014).
    DOI: 10.1016/j.apgeochem.2014.04.002
  • Influence of the redox state on the neptunium sorption under alkaline conditions: Batch sorption studies on titanium dioxide and calcium silicate hydrates Tits Jan, Gaona Xavier, Laube Andreas, Wieland Erich
    RADIOCHIMICA ACTA 102, 385-400 (2014).
    DOI: 10.1515/ract-2013-2151
  • Intrinsic Acidity of Surface Sites in Calcium Silicate Hydrates and Its Implication to Their Electrokinetic Properties Churakov Sergey V, Labbez Christophe, Pegado Luis, Sulpizi Marialore
    JOURNAL OF PHYSICAL CHEMISTRY C 118, 11752-11762 (2014).
    DOI: 10.1021/jp502514a
  • Localized, Stepwise Template Growth of Functional Nanowires from an Amino Acid-Supported Framework in a Microfluidic Chip Puigmarti-Luis Josep, Rubio-Martinez Marta, Imaz Inhar, Cvetkovic Benjamin Z, Abad Llibertat, Perez del Pino Angel, Maspoch Daniel, Amabilino David B
    ACS Nano 8, 818-826 (2014).
    DOI: 10.1021/nn4054864
  • Long-term Evolution of the Engineered Gas Transport System Kosakowski G, Smith P
    NAB, Nagra Arbeitsberichte 14-16, 1-122 (2014).
  • Mechanism of aluminium incorporation into C-S-H from ab initio calculations Pegado Luis, Labbez Christophe, Churakov Sergey V
    JOURNAL OF MATERIALS CHEMISTRY A 2, 3477-3483 (2014).
    DOI: 10.1039/c3ta14597b
  • Mechanisms and modelling of waste-cement and cement-host rock interactions Preface Jacques Diederik, Lothenbach Barbara, Wieland Erich
    DOI: 10.1016/j.pce.2014.05.001
  • Microscale analysis of metal uptake by argillaceous rocks using positive matrix factorization of microscopic X-ray fluorescence elemental maps Osan Janos, Keri Annamaria, Breitner Daniel, Fabian Margit, Daehn Rainer, Simon Rolf, Toeroek Szabina
    DOI: 10.1016/j.sab.2013.11.002
  • Molecular Mechanism of Moisture-Induced Transition in Amorphous Cellulose Kulasinski Karol, Keten Sinan, Churakov Sergey V, Guyer Robert, Carmeliet Jan, Derome Dominique
    ACS MACRO LETTERS 3, 1037-1040 (2014).
    DOI: 10.1021/mz500528m
  • NMR Relaxation Parameters from Molecular Simulations of Hydrated Inorganic Nanopores Bhatt Jayesh S, McDonald Peter J, Faux David A, Howlett Nicholas C, Churakov Sergey V
    DOI: 10.1002/qua.24708
  • OpenGeoSys-Gem: A numerical tool for calculating geochemical and porosity changes in saturated and partially saturated media Kosakowski Georg, Watanabe Norihiro
    PHYSICS AND CHEMISTRY OF THE EARTH 70-71, 138-149 (2014).
    DOI: 10.1016/j.pce.2013.11.008
  • Radionuclide uptake by calcium silicate hydrates: Case studies with Th(IV) and U(VI) Tits J, Fujita T, Harfouche M, Daehn R, Tsukamoto M, Wieland E
    PSI Bericht Nr 14-03, 79 pages (2014).
  • Recrystallization of Ra-223 with barium sulfate Torapava Natallia, Rameback Henrik, Curti Enzo, Lagerkvist Petra, Ekberg Christian
    DOI: 10.1007/s10967-014-3170-6
  • Redox state of plutonium in irradiated mixed oxide fuels Degueldre C, Pin S, Poonoosamy J, Kulik D A
    DOI: 10.1016/j.jpcs.2013.11.001
  • Resolving diffusion in clay minerals at different time scales: Combination of experimental and modeling approaches Churakov Sergey V, Gimmi Thomas, Unruh Tobias, Van Loon Luc R, Juranyi Fanni
    APPLIED CLAY SCIENCE 96, 36-44 (2014).
    DOI: 10.1016/j.clay.2014.04.030
  • Selenium redox speciation and coordination in high-burnup UO2 fuel: Consequences for the release of Se-79 in a deep underground repository Curti Enzo, Froideval-Zumbiehl Annick, Guenther-Leopold Ines, Martin Matthias, Bullemer Andrej, Linder Hanspeter, Borca Camelia N, Grolimund Daniel
    JOURNAL OF NUCLEAR MATERIALS 453, 98-106 (2014).
    DOI: 10.1016/j.jnucmat.2014.07.003
  • Solubility of Radionuclides in a bentonite environment for provisional safety analyses for SGT-E2 (Vorabdruck) Berner U
    Nagra NTB 14-06, 1 (2014).
  • Solubility of radionuclides in a concrete environment for provisional safety analyses for SGT-E2 (Vorabdruck) Berner U
    Nagra NTB 14-07, 1 (2014).
  • Sorption data base for the cementitious near field of L/ILW and ILW repositories for provisional safety analysis for SGT-E2 Wieland E
    Nagra NTB 14-08, 126 pp. (2014).
  • Sorption data bases for the host rocks and lower confining units and bentonite for provisional safety analyses for SGT-E2 Baeyens B, Thoenen T, Bradbury MH, Marques Fernandes M
    Nagra NTB 12-04, - (2014).
  • Speciation Calculations Supporting the Sorption Data Bases for Argillaceous Rocks and Bentonite for the Provisional safety Analyses for SGT-E2 Thoenen T
    NAB, Nagra Arbeitsberichte 12-52, 1-309 (2014).
  • Suitability of various materials for porous filters in diffusion experiments Aldaba D, Glaus MA, Leupin OX, Van Loon LR, Vidal M, Rigol A
    RADIOCHIMICA ACTA 102, 723-730 (2014).
    DOI: 10.1515/ract-2013-2176
  • Synchrotron-based micro X-ray diffraction investigations of cement-clay interfaces Daehn R, Schaub P, Popov D, Pattison P Jenni A, Maeder U, Wieland E
    International Mineralogical Association 2014, Johannesburg, South Africa -, - (2014).
  • Synthesis and characterization of hydrogarnet Ca-3(AlXFe1- (X))(2)(SiO4)(y)(OH)(4(3-y)) Dilnesa Belay Zeleke, Lothenbach Barbara, Renaudin Guillaume, Wichser Adrian, Kulik Dmitrii
    CEMENT AND CONCRETE RESEARCH 59, 96-111 (2014).
    DOI: 10.1016/j.cemconres.2014.02.001
  • The DR-A in-situ diffusion experiment at Mont Terri. Effects of changing salinity on diffusion and retention propertie Soler JM, Leupin OX, Gimmi T, Van Loon LR
    Materials Research Society Symposium - Proceedings 1665, 63 (2014).
    DOI: 10.1557/opl.2014.629
  • The Long Term Evolution of the Nearfield of the HLW Repository Bradbury MH, Berner U, Curti E, Hummel W, Kosakowski G, Thoenen T
    Nagra NTB 12-01, 1 (2014).
  • The PSI/Nagra Chemical Thermodynamic Database 12/07 Thoenen T, Hummel W, Berner U, Curti E
    NAB, Nagra Arbeitsberichte 14-49, 1-372 (2014).
  • The PSI/Nagra Chemical Thermodynamic Database 12/07 Thoenen T, Hummel W, Berner U, Curti E
    PSI Bericht Nr 14-04, 1-416 (2014).
  • The influence of stable element inventory on the migration of radionuclides in the vicinity of a high level nuclear waste repository exemplified for Ni-59 Pfingsten Wilfried
    APPLIED GEOCHEMISTRY 49, 103-115 (2014).
    DOI: 10.1016/j.apgeochem.2014.05.002
  • Thermal multicomponent lattice Boltzmann model for catalytic reactive flows Kang Jinfen, Prasianakis Nikolaos I, Mantzaras John
    PHYSICAL REVIEW E 89, 063310 (2014).
    DOI: 10.1103/PhysRevE.89.063310
  • X-ray micro-diffraction studies of heterogeneous interfaces between cementitious materials and geological formations Daehn R, Popov D, Schaub Ph, Pattison P, Grolimund D, Maeder U, Jenni A, Wieland E
    PHYSICS AND CHEMISTRY OF THE EARTH 70-71, 96-103 (2014).
    DOI: 10.1016/j.pce.2013.10.010