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2016

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
CEMENT AND CONCRETE RESEARCH 85, 122 (2016).
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
ADVANCES IN WATER RESOURCES 96, 405 (2016).
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
CEMENT AND CONCRETE RESEARCH 85, 111 (2016).
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
GEOCHIMICA ET COSMOCHIMICA ACTA 187, 41 (2016).
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