2016

Chollet M, Martin P, Degueldre C, Poonoosamy J, Belin RC, Hennig C
Neptunium characterization in uranium dioxide fuel: combining a XAFS and a thermodynamic approach
Journal of Alloys and Compounds. 2016; 662: 448-454. https://doi.org/10.1016/j.jallcom.2015.12.005
DORA PSI

Churakov SV
Ab initio simulations of mineral surfaces: recent advances in numerical methods and selected application
In: Armbruster T, Danisi RM, eds. Highlights in mineralogical crystallography. Berlin: de Gruyter; 2016:75-108. https://doi.org/10.1515/9783110417104-005
DORA PSI

Dähn R, Arakcheeva A, Schaub P, Pattison P, Chapuis G, Grolimund D, et al.
Application of micro X-ray diffraction to investigate the reaction products formed by the alkali-silica reaction in concrete structures
Cement and Concrete Research. 2016; 79: 49-56. https://doi.org/10.1016/j.cemconres.2015.07.012
DORA PSI

Fernandes MM, Scheinost AC, Baeyens B
Sorption of trivalent lanthanides and actinides onto montmorillonite: macroscopic, thermodynamic and structural evidence for ternary hydroxo and carbonato surface complexes on multiple sorption sites
Water Research. 2016; 99: 74-82. https://doi.org/10.1016/j.watres.2016.04.046
DORA PSI

Fowler SJ, Kosakowski G, Driesner T, Kulik DA, Wagner T, Wilhelm S, et al.
Numerical simulation of reactive fluid flow on unstructured meshes
Transport in Porous Media. 2016; 112(1): 283-312. https://doi.org/10.1007/s11242-016-0645-7
DORA PSI

Grolimund D, Van Loon LR, Wang HAO, Marone F, Diaz N, Kaestner A, et al.
Microscopic chemical imaging: a key to understand ion mobility in tight formations
In: Schäfer T, Dohrmann R, Greenwell HC, eds. Filling the gaps – from microscopic pore structures to transport properties in shales. Vol. 21. Clay minerals society workshop lectures series. The Clay Minerals Society; 2016:105-128. https://doi.org/10.1346/CMS-WLS-21-9
DORA PSI

He W, Poonoosamy J, Kosakowski G, Van Loon LR, Mäder U, Kalbacher T
Reactive transport
In: Kolditz O, Görke U-J, Shao H, Wang W, Bauer S, eds. Thermo-hydro-mechanical-chemical processes in fractured porous media: modelling and benchmarking. Benchmarking initiatives. Terrestrial environmental sciences. Cham: Springer; 2016:179-197. https://doi.org/10.1007/978-3-319-29224-3_10
DORA PSI

Kosakowski G, Jenni A, Lothenbach B
Reactive transport modelling of cement/clay interactions
Presented at: 4th international workshop on "mechanisms and modelling of waste/cement interactions"; May 22-25, 2016; Murten, Switzerland.
DORA PSI

Kéri A, Osán J, Fábián M, Dähn R, Török S
Combined X-ray microanalytical study of the Nd uptake capability of argillaceous rocks
X-Ray Spectrometry. 2016; 45(1): 54-62. https://doi.org/10.1002/xrs.2656
DORA PSI

L'Hôpital E, Lothenbach B, Scrivener K, Kulik DA
Alkali uptake in calcium alumina silicate hydrate (C-A-S-H)
Cement and Concrete Research. 2016; 85: 122-136. https://doi.org/10.1016/j.cemconres.2016.03.009
DORA PSI

L'Hôpital E, Lothenbach B, Kulik DA, Scrivener K
Influence of calcium to silica ratio on aluminium uptake in calcium silicate hydrate
Cement and Concrete Research. 2016; 85: 111-121. https://doi.org/10.1016/j.cemconres.2016.01.014
DORA PSI

Leal AMM, Kulik DA, Kosakowski G
Computational methods for reactive transport modeling: a Gibbs energy minimization approach for multiphase equilibrium calculations
Advances in Water Resources. 2016; 88: 231-240. https://doi.org/10.1016/j.advwatres.2015.11.021
DORA PSI

Leal AMM, Kulik DA, Kosakowski G, Saar MO
Computational methods for reactive transport modeling: an extended law of mass-action, xLMA, method for multiphase equilibrium calculations
Advances in Water Resources. 2016; 96: 405-422. https://doi.org/10.1016/j.advwatres.2016.08.008
DORA PSI

Leal AMM, Kulik DA, Saar MO
Enabling Gibbs energy minimization algorithms to use equilibrium constants of reactions in multiphase equilibrium calculations
Chemical Geology. 2016; 437: 170-181. https://doi.org/10.1016/j.chemgeo.2016.05.029
DORA PSI

Miron GD, Wagner T, Kulik DA, Heinrich CA
Internally consistent thermodynamic data for aqueous species in the system Na-K-Al-Si-O-H-Cl
Geochimica et Cosmochimica Acta. 2016; 187: 41-78. https://doi.org/10.1016/j.gca.2016.04.026
DORA PSI

Nedyalkova L, Lothenbach B, Tits J, Wieland E, Mäder U
Uptake of sulfur, selenium and iodine in AFm phases
Presented at: 4th International workshop on mechanisms and modelling of waste / cement interactions; May 22-25, 2016; Murten, Switzerland.
DORA PSI

Pegado L, Jönsson B, Wennerström H
Attractive ion-ion correlation forces and the dielectric approximation
Advances in Colloid and Interface Science. 2016; 232: 1-8. https://doi.org/10.1016/j.cis.2016.01.004
DORA PSI

Poonoosamy J, Curti E, Kosakowski G, Grolimund D, Van Loon LR, Mäder U
Barite precipitation following celestite dissolution in a porous medium: a SEM/BSE and μ-XRD/XRF study
Geochimica et Cosmochimica Acta. 2016; 182: 131-144. https://doi.org/10.1016/j.gca.2016.03.011
DORA PSI

Safi MA, Prasianakis NI, Mantzaras J, Lamibrac A, Büchi FN
Pore-level modelling of phase-change induced flow and mass transfer in porous media: evaporative cooling of polymer electrolyte fuel cells (PEFC)
Presented at: 3rd SCCER mobility annual conference; September 16, 2016; Zurich, Switzerland.
DORA PSI

Sui R, Prasianakis NI, Mantzaras J, Mallya N, Theile J, Lagrange D, et al.
An experimental and numerical investigation of the combustion and heat transfer characteristics of hydrogen-fueled catalytic microreactors
Chemical Engineering Science. 2016; 141: 214-230. https://doi.org/10.1016/j.ces.2015.10.034
DORA PSI

Wersin P, Mazurek M, Mäder UK, Gimmi T, Rufer D, Lerouge C, et al.
Constraining porewater chemistry in a 250 m thick argillaceous rock sequence
Chemical Geology. 2016; 434: 43-61. https://doi.org/10.1016/j.chemgeo.2016.04.006
DORA PSI

Wieland E, Jakob A, Tits J, Lothenbach B, Kunz D
Interaction of low molecular weight organic compounds with hardened cement paste
Presented at: 4th International workshop on mechanisms and modelling of waste / cement interactions; May 22-25, 2016; Murten, Switzerland.
DORA PSI

Wieland E, Jakob A, Tits J, Lothenbach B, Kunz D
Sorption and diffusion studies with low molecular weight organic compounds in cementitious systems
Applied Geochemistry. 2016; 67: 101-117. https://doi.org/10.1016/j.apgeochem.2016.01.009
DORA PSI

Wu T, Wang Z, Li Q, Pan G, Li J, Van Loon LR
Re(VII) diffusion in bentonite: effect of organic compounds, pH and temperature
Applied Clay Science. 2016; 127-128: 10-16. https://doi.org/10.1016/j.clay.2016.03.039
DORA PSI