Program for Session 19f

Monday 15th August AM: Ground Floor / Small Theatre

19f (Oral): Bridging the Gap between Atomic, Pore, and Continuum Scales
Session chaired by Virginie Marry & Carl Steefel

09:30  Keynote: Anions in Clay Materials: A Case Study for Multi-Scale Modeling Approaches
Tournassat C
10:00  Modelling the Aqueous Al3+ System Using Density Functional Theory
Bogatko S, Cauët E & Geerlings P
10:15  Computer Simulation of Clay Mineral – Biomolecule Interactions
Swadling J, Coveney P & Greenwell C
10:30  Invited: Donnan Equilibrium in Na-Montmorillonite from a Molecular Dynamics Perspective – Consequences for Diffusional Transport
Hedström M, Birgersson M & Karnland O
10:45  Invited: Multiscale Modeling of Ionic Transport in Charged Clays
Duvail M, Coelho D, Békri S & Rotenberg B
11:00  Invited: Two Step Up-Scaling of Molecular Diffusion Coefficients in Clays
Churakov S, Gimmi T & Tyagi M
11:15  Invited: Continuum Model for Diffusive Transport in the Electrical Double Layer and Clay Interlamellæ
Galindez JM, Steefel C & Maeder U
11:30  Invited: Direct Pore-Scale Numerical Simulation of Precipitation and Dissolution
Molins S, Silin D, Trebotich D & Steefel C
11:45  Compound-Specific Transverse Dispersion in Porous Media: Darcy-Scale Experiments and Pore-Scale Modeling Interpretation
Rolle M, Hochstetler D, Chiogna G, Kitanidis PK & Grathwohl P
12:00  Upscaling Pore Scale Carbonate Precipitation Rates to the Continuum Scale
Steefel CI, Noiriel C, Yang L & Ajo-Franklin J
12:15  Invited: Magnesite Dissolution Rates at the Column Scale: The Control of Mineral Spatial Distribution
Li L, Salehikhoo F & Brantley S

Monday 15th August PM: Floor 3 / Poster Area

19f (Poster): Bridging the Gap between Atomic, Pore, and Continuum Scales

3111  Hydraulic-Hydrochemical Modelling of a Geothermal Reservoir in Indonesia
Brehme M, Regenspurg S & Zimmermann G
3112  Interfacial Area Measurements for Robust Models of Multiphase Flow in Porous Media
Brown K, Wildenschild D, Gray W & Miller C
3113  Redox Reactions of FeII-Iii Oxyhydroxycarbonate Minerals in Gleysols, Fougèrite, Trébeurdenite and Mössbauerite, and Water Denitrification
Génin J-M, Guérin O, Kuzmann E & Ruby C
3114  Simulating Foam Transport in the Vadose Zone at the Continuum Scale
Zhang F, White M & Foote M
3115  Modelling of a Bentonite Column Experiment with CrunchFlow Including New Clay-Specific Transport Features
Fernández R, Mäder U & Steefel C