Mineral-Water Interfacial Structures Revealed by Synchrotron X-ray Scattering, Progr. Surf. Sci, vol.77, pp.171-258, 2004. ,
DOI : 10.1016/j.progsurf.2004.12.001
, Structured Water Layers Adjacent to Biological Membranes. Biophys. Journal, vol.91, pp.2532-2542, 2006.
The Hydrophobic Interaction is Long-Range, Decaying Exponentially with Distance, Nature, vol.300, pp.341-342, 1982. ,
Comparative Microstructures of Natural and Experimentally Produced Clay-Bearing Fault Gouges, Pure Appl. Geophys, vol.124, pp.3-30, 1986. ,
Cation Sorption on the Muscovite (001) Surface in Chloride Solutions Using High-Resolution Xray Reflectivity, Geochim. Cosmochim. Acta, vol.70, pp.3549-3565, 2006. ,
URL : https://hal.archives-ouvertes.fr/hal-00157928
Surface Complexation Modeling in Aqueous Geochemistry, Rev. Mineral, vol.23, pp.177-260, 1990. ,
A Quantitative Model for Ion Diffusion in Compacted Bentonite, Radiochim. Acta, vol.82, pp.437-444, 1998. ,
Hydration and Distribution of Ions at the Mica-Water Interface, Phys. Rev. Lett, p.16101, 2006. ,
Metal Oxide Surfaces and Their Interactions with Aqueous Solutions and Microbial Organisms, Chem. Rev, vol.99, pp.77-174, 1998. ,
Variations in Interlayer Cation Sites of Clay Minerals as Studied by 133 Cs MAS Nuclear Magnetic Resonance Spectroscopy, Amer. Mineral, vol.75, pp.970-982, 1990. ,
The Impact of Different Geological Parameters on Transport of Radionuclides, Proceedings of 2006 International HighLevel Radioactive Waste Management Conference, pp.36-373 ,
Overview of Scientific Investigations at Yucca Mountain-The Potential Repository for High-Level Nuclear Waste, J. Contam. Hydrol, vol.38, pp.3-24, 1999. ,
Mountain: Earth-Sciences Issues at a Geological Repository for High-Level Nuclear Waste, Ann. Rev. Earth Planet Sci, vol.32, pp.363-401, 2004. ,
Alteration of the Callovo-Oxfordian Clay from Meuse-Haute Marne Underground Laboratory (France) by Alkaline Solution: II Modeling of Mineral Reactions, Appl. Geochem, vol.19, pp.1699-1709, 2004. ,
DiffusionDriven Transport in Clayrock Formations, Appl. Geochem, vol.27, pp.463-478, 2012. ,
URL : https://hal.archives-ouvertes.fr/hal-00664227
, Elements, vol.4, pp.311-317, 2008.
A Guide to CO2 Sequestration, Science, vol.300, pp.1677-1678, 2003. ,
, CO2 Sequestration in Deep Sedimentary Formations. Elements, vol.4, pp.325-331, 2008.
The Significance of Surface Complexation Reactions in Hydrological Systems: A Gecohemist's Perspective, J. Hydrol, vol.230, pp.127-171, 2000. ,
Environmental Mineralogy-Understanding Element Behavior in Ecosystems, C. R. Geosci, vol.343, pp.90-112, 2011. ,
URL : https://hal.archives-ouvertes.fr/hal-01054553
Modeling and Simulation of Pore-Scale Multiphase Fluid Flow and Reactive Transport in Fractured and Porous Media, Rev. Geophys, p.3002, 2009. ,
The Interaction of Water with Solid Surfaces: Fundamental Aspects Revisited, Surf. Sci. Rep, vol.46, pp.1-308, 2002. ,
Effects of Substrate Structure and Composition on the Structure, Dynamics and Energetics of Water at Mineral Surfaces: A Molecular Dynamics Modeling Study, Geochim. Cosmochim. Acta, vol.70, issue.3, pp.562-582, 2006. ,
Hydrated Cation Speciation at the Muscovite (001) Water Interface, Langmuir, vol.26, pp.16647-16651, 2010. ,
Adsorption Isotherms of Water on Mica: Redistribution and Film Growth, J. Phys. Chem B, vol.113, pp.1058-1067, 2009. ,
DOI : 10.1021/jp805730p
Monte Carlo Simulation of the Total Radial Distribution Function of Interlayer Water in Sodium and Potassium Montmorillonites, Clays Clay Miner, vol.47, pp.192-200, 1999. ,
Porosities Accessible to HTO and Iodide on Water-Saturated Compacted Clay Minerals and Relation with the forms of Water: A Low Field Proton NMR Study, Geochim. Cosmochim. Acta, vol.73, pp.7290-7302, 2009. ,
Multicomponent Diffusion Modeling in Clay Systems with Application to the Diffusion of Tritium, Iodide and Sodium in Opalinus Clay, Environ. Sci. Technol, vol.41, pp.5002-5007, 2007. ,
Competitive Adsorption of Strontium and Fulvic Acid at the Muscovite Solution Interface Observed with Resonant Anomalous X-ray Reflectivity, Geochim. Cosmochim. Acta, vol.74, pp.1762-1776, 2010. ,
Icelike Water Monolayer Adsorbed on Mica at Room Temperature, Phys. Rev. Lett, vol.81, pp.5876-5879, 1998. ,
DOI : 10.1103/physrevlett.81.5876
23 Na and 133 Cs NMR study of Cation Adsorption on Mineral Surfaces: Local Environments, Dynamics and Effects of Mixed Cations, Geochim. Cosmochim. Acta, vol.61, pp.5199-5208, 1997. ,
Monovalent Ion Adsorption at the Muscovite (001)-Solution Interface: Relationships among Ion Coverage and Speciation, Interfacial Water Structure and Substrate Relaxation, Langmuir, vol.28, pp.8637-8650, 2012. ,
DOI : 10.1021/la300032h
Uranium Uptake from Aqueous Solution by Interaction with Goethite, Lepidocrocite, Muscovite and Mackinawite: An X-ray, Adsorption Spectroscopy Study. Environ. Sci. Technol, vol.34, pp.1062-1068, 2000. ,
DOI : 10.1021/es990703k
Adsorption of Water Vapor by Montmorillonite. II. Effect of Exchangeable Ions and Lattice Swelling as Measure by Xray Diffraction, J. Am. Chem. Soc, vol.74, pp.1371-1374, 1952. ,
Why Clays Swell, J. Phys. Chem. B, vol.106, pp.12664-12667, 2002. ,
DOI : 10.1021/jp0264883
Hydration of Montmorillonite and Diffusion of Exchangeable Cations. 1. Hydration of Montmorillonite Saturated by Monovalent Cations, Ann. Agron, vol.24, pp.77-133, 1973. ,
Hydration of Montmorillonite and Diffusion of Exchangeable Cations. 2. Diffusion of Exchangeable Cations in Montmorillonite, Ann Agron, vol.24, pp.135-217, 1973. ,
In Situ 13 C and 23 Na Magic Angle Spinning NMR Investigation of Supercritical CO2 Incorporation in Smectite-Natural Organic Matter Composites, J. Phys. Chem C, vol.118, pp.3564-3573, 2014. ,
Energetics and Dynamics of Water Adsorbed on the Muscovite (001) Surface: A Molecular Dynamics Simulation, J. Phys. Chem B, vol.109, pp.15893-15905, 2005. ,
Adsorption Isotherms of Water on Mica: Redistribution and Film Growth, J. Phys. Chem B, vol.113, pp.1058-1067, 2009. ,
Hydration in a Low-Energy Two-Dimensional Wetting Layer on the Basal Surface of Muscovite, J. Chem. Phys, p.74705, 2013. ,
On the hydrogen bonding structure at the aqueous interface of ammonium-substituted mica: A molecular dynamics simulation. Zeitschrift fur Naturforschung, vol.68, pp.91-100, 2013. ,
Molecular Simulation of Aqueous Solutions at Clay Surfaces, J. Phys. Condens. Matter, p.284114, 2010. ,
DOI : 10.1088/0953-8984/22/28/284114
URL : https://hal.archives-ouvertes.fr/hal-00531718
Ab Initio Molecular Dynamics Study of the Hydration of a Sodium Smectite Clay, J. Phys. Chem B, vol.107, pp.3251-3256, 2003. ,
Cation Exchange at the Mineral-Water Interface: H3O + /K + Competition at the Surface of Nano-Muscovite, Langmuir, vol.24, pp.10240-10244, 2008. ,
Uranyl Adsorption at the Muscovite (Mica)/Water Interface Studied by Second Harmonic Generation, Environ. Sci. Technol, vol.46, pp.11154-11161, 2012. ,
Water Structure and Aqueous Uranyl (VI) Adsorption Equilibria onto External Surfaces of Beidellite, Montmorillonite and Pyrophyllite: Results from Molecular Simulations, Environ. Sci. Technol, vol.40, pp.3865-3871, 2006. ,
Molecular Dynamics Simulations of Uranyl Adsorption and Structure on the Basal Surface of Muscovite, Molecular Simulations, vol.40, pp.610-617, 2014. ,
Molecular Dynamics Simulations of Uranyl and Uranyl Carbonate Adsorption at Aluminosilicate Surfaces, Environ. Sci. Technol, vol.48, pp.3899-3907, 2014. ,
Structural Arrangements of Isomorphic Substitutions in Smectites: Molecular Simulation of the Swelling Properties, Interlayer Structure and Dynamics of Hydrated Cs-Montmorillonite Revisited with New Clay Models, J. Phys. Chem. C, vol.118, pp.12758-12773, 2014. ,
Montmorillonite-Poly(ethylene oxide) Nanocomposites: Interlayer Alkali Metal Behavior, J. Phys. Chem B, vol.109, pp.16296-16303, 2005. ,
Effects of Layer Charge, Charge Location, and Energy Change on Expansion Properties of Dioctahedral Smectites, Clays Clay Miner, vol.29, pp.873-882, 1992. ,
A Neutron Diffraction Study of Alkali Cation Migration in Montmorillonites, Phys. Chem. Miner, vol.35, pp.49-58, 2008. ,
Effects of Layer-Charge Distribution on the Thermodynamic and Microscopic Properties of Cs-Smectite, Geochim. Cosmochim. Acta, vol.72, pp.1897-1847, 2008. ,
Energy and Entropy of Swelling in Cs-,Na-and Sr-Montmorillonite Clays, J. Phys. Chem B, vol.120, pp.5387-5395, 2004. ,
Situ Neutron Diffraction Analysis of the Influence of Geometric Confinement on Crystalline Swelling of Montmorillonite, Appl. Clay. Sci, vol.31, pp.76-84, 2006. ,
Combined Experimental and Theoretical Investigations of Clay Polymer Nano-Composites: Intercalation of Single Bifunctional Organic Compounds in Na + Montmorillonite and Na + Hectorite Clays for the Design of New Materials, J. Mater. Chem, vol.13, pp.2540-2550, 2003. ,
Molecular Dynamics Modeling of Carbon dioxide, Water and Natural Organic Matter in Na-Hectorite, Phys. Chem. Chem. Phys, vol.17, pp.23356-23367, 2015. ,
Alkali Metal and H2O Dynamics at the Clay/Water Interface, J. Phys. Chem. C, vol.115, pp.23395-23407, 2011. ,
Dehydration of Cu-Hectorite: Water Isotherm, XRD and EPR Studies, J. Phys. Chem, vol.100, pp.4120-4126, 1996. ,
Simulation of the XRD Patterns, Structural Properties of a Synthetic Na-Hectorite Exchange Cu(2+) and Ca (2+), Z. Kristallogr, vol.26, pp.503-508, 2007. ,
The Structural Environments of Cations Adsobed onto Clays-Cs 133 Variable Temperature MAS NMR Spectroscopic Study of Hectorite, Geochim. Cosmochim. Acta, vol.54, pp.1655-1669, 1990. ,
Single Crystal Structure Refinement of One-and Two-Layer Hydrates of Sodium Fluorohectorite, vol.2, pp.8452-8459, 2012. ,
Anisotropic Features of Water and Ion Dynamics in Synthetic Na-and Ca-Smectites with Tetrahedral Layer Charge. A Combined Quasi-Elastic Neutron-Scattering and Molecular Dynamics Simulations Study, J. Phys. Chem. C, vol.116, pp.16619-16633, 2012. ,
URL : https://hal.archives-ouvertes.fr/hal-00819855
Water Dynamics in Hectorite Clays: Influence of Temperature Studied by Coupling Neutron Spin Echo and Molecular Dynamics, Environ. Sci. Technol, vol.45, pp.2850-2855, 2011. ,
Hydration of Na +, Ni 2+ and Sm 3+ in the Interlayer of Hectorite: A Quasi Neutron Scattering Study, J. Phys. Chem. C, vol.113, pp.13801-13812, 2009. ,
Water Diffusion in a Synthetic Hectorite by Neutron Scattering-Beyond the Isotropic Translational Model, J. Phys.: Condens. Matter, vol.20, p.104205, 2008. ,
URL : https://hal.archives-ouvertes.fr/hal-00347821
,
H2O and Cation Structure and Dynamics in Expandable Clays: 2 H and 39 K NMR Investigations of Hectorite, J. Phys. Chem. C, vol.112, pp.6430-6438, 2008. ,
Multiscale Water Dynamics within Dense Clay Sediments Probed by 2H Multiquantum NMR Relaxometry and Two-Time Stimulated Echo NMR Spectroscopy, J. Phys. Chem. C, vol.117, pp.26119-26134, 2013. ,
Delville, A. 133Cs Nuclear Magnetic Resonance Relaxometry as a Probe of the Mobility of Cesium Cations Confined within Dense Clay Sediments, J. Phys. Chem. C, vol.119, pp.15360-15372, 2015. ,
Structure and Dynamical Relationships of Ca 2+ and H2O in Smectite/ 2 H2O Sytems, Amer. Mineral, vol.99, pp.318-331, 2014. ,
Molecular Modeling of Tributyl Phosphate Complex of Europium Nitrate in the Clay Hectorite, J. Phys. Chem. A, vol.102, pp.6722-6729, 1998. ,
Energetics and Dynamics of Smectite Clay Interlayer Hydration: Molecular Dynamics and Metadynamics Investigation of Na-Hectorite, J. Phys. Chem. C, vol.117, pp.5172-5187, 2013. ,
URL : https://hal.archives-ouvertes.fr/in2p3-00870391
Molecular Simulation of Structure and Diffusion at Smectite-Water Interfaces: Using Expanded Clay Interlayers as Model Nanopores, J. Phys. Chem. C, vol.119, pp.17126-17136, 2015. ,
Animated Molecular Dynamics Simulations of Hydrated CaesiumSmectite Interlayers, Geochem. Trans, vol.3, pp.73-80, 2002. ,
Molecular Simulation of Interlayer Structure and Dynamics in 12.4Å Cs-Smectite Hydrates, J. Coll. Interf. Sci, vol.237, pp.174-184, 2001. ,
Solute Diffusion, Methods of Soil Analysis Part, vol.4 ,
, , pp.1323-1351, 2002.
Mechanism of Strong Affinity of Clay Minerals to Radioactive Cesium: First-Principles Calculation Study for Adsorption of Cesium at Frayed Edge Sites in Muscovite, J. Phys. Soc. Jpn, vol.82, p.33802, 2013. ,
Cesium-137 Deposition and Contamination of Japanese Soils Due to the Fukushima Nuclear Accident, Proc. Natl. Acad. Sci. U.S.A, vol.108, pp.19530-19534, 2011. ,
Cesium Adsorption of Clay Minerals: An EXAFS Spectroscopic Investigation, Environ. Sci. Technol, vol.36, pp.2670-2676, 2002. ,
Relationship Between the Adsorption Species of Cesium and Radiocesium Interception Potential in Soils and Minerals : An EXAFS Study, J. Environ. Radio, vol.138, pp.92-100, 2014. ,
Local Structural Information of Cs in Smectite Hydrates by Means of an EXAFS Study and Molecular Dynamics Simulations, Appl. Clay. Sci, vol.23, pp.15-23, 2003. ,
X-ray Diffraction and Helium ion and Electron Microscopy of Smectite-Natural Organic Matter Composites, Clays Clay Minerals ,
Water Structure and Dynamics in Smectites: 2 H NMR Spectroscopy of Mg, Ca, Sr, Cs and Pb-Hectorite, J. Phys. Chem. C, 2016. ,
Disorder in Smectites in Dependence of the Interlayer Cation, Z. Anorg. Allg. Chem, vol.629, pp.503-515, 2003. ,
Geometry and Dynamics of Intercalated Water in Na-Fluorohectorite Clay Hydrates, J. Phys. Chem C, vol.112, pp.575-580, 2008. ,
Fast Parallel Algorithms for Short-Range Molecular Dynamics, Journal of Computational Physics, vol.117, issue.1, pp.1-19, 1995. ,
Rapid Estimation of Elastic Constants by Molecular Dynamics Simulations under Constant Stress, Phys. Rev. B, p.134103, 2004. ,
LiouvilleOperator Derived. Measure-Preserving Integrator for Molecular Dynamics Simulations in the Isothermal-Isobaric Ensemble, J. Phys. A: Math. Gen, vol.39, pp.5629-5651, 2006. ,
Molecular Models of Hydroxide, Oxyhydroxide and Clay Phases and the Development of a General Force Field, J. Phys. Chem. B, vol.108, pp.1255-1266, 2004. ,
Molecular Simulations of Water and Paracresol in MFI Zeolite-A Monte Carlo Study, Langmuir, vol.25, pp.11598-11607, 2009. ,
Mechanism of Adsorption of p-cresol Uremic Toxin into Faujasite Zeolites in Presence of Water and Sodium Ions-A Monte Carlo Study, Micro. Meso. Mat, vol.173, pp.70-77, 2013. ,
Interaction Models for Water in Relation to Protein Hydration, Intermolecular Forces, pp.331-342, 1981. ,
Molecular Computer Simulations of the Swelling Properties and Interlayer Structure of Cesium Montmorillonite, Langmuir, vol.14, pp.5959-5967, 1998. ,
Bond-Valence Constraints on Liquid Water Structure, J. Phys. Chem. A, vol.113, pp.1847-1857, 2009. ,
Chemical Reactions and Solvations at Liquid Interfaces: A Microscopic Perspective, Chem. Rev, vol.96, pp.1449-1475, 1996. ,
Dynamics of Halide Ion-Water Hydrogen Bonds in Aqueous Solutions: Dependence on Ion Size and Temperature, J. Phys. Chem. B, vol.110, pp.9674-9680, 2006. ,
Hydrogen-bond Kinetics in Liquid Water, Nature, vol.379, pp.55-57, 1996. ,
Hydration and Mobility of Ions in Solution, J. Phys. Chem, vol.87, pp.5071-5083, 1983. ,
Resolving the Hydrogen Bond Dynamics Conundrum, J. Chem. Phys, p.10663, 2000. ,
Metal Cation Complexation with Natural Organic Matter in Aqueous Solutions: Molecular Dynamics Simulations and Potentials of Mean Force, Langmuir, vol.26, pp.15909-15919, 2010. ,
URL : https://hal.archives-ouvertes.fr/in2p3-00769191
Single Crystal Structure Refinement of TetramethylammoniumHectorite, Z. Kristallogr, vol.220, pp.169-176, 2005. ,
Diffusion of Na and Cs in Montmorillonite, Clays Clay Miner, vol.56, pp.190-206, 2008. ,
State and Location of Water Adsorbed on Clay Minerals: Consequences of the Hydration and Swelling-Shrinkage Phenomena, Clays Clay Miner, vol.46, pp.117-131, 1998. ,
Structure of Water Adsorbed on Smectites, Chem. Rev, vol.82, pp.554-573, 1982. ,
DOI : 10.1021/cr00052a001
Monte Carlo Simulation of Interlayer Molecular Structure in Swelling Clay Minerals 1, Methodology. Clays Clay Miner, vol.43, pp.285-293, 1995. ,
Microscopic Simulations of Interlayer Structure and Dynamics in Bihydrated Heteroionic Montmorillonites, J. Phys. Chem. B, vol.107, pp.1832-1839, 2003. ,
URL : https://hal.archives-ouvertes.fr/hal-00168681
Structure and Dynamics of Water at a Clay Surface from Molecular Dynamics Simulation, Phys. Chem. Chem. Phys, vol.10, pp.4802-4813, 2008. ,
URL : https://hal.archives-ouvertes.fr/hal-00369641
Mobility of Na and Cs on Montmorillonite Surface under Partially Saturated Conditions, Environ. Sci. Technol, vol.47, pp.9816-9823, 2013. ,
,
Solvent structure, dynamics and the ion mobility in aqueous solution at 25 o C, J. Phys. Chem. B, vol.102, pp.4193-4204, 1998. ,
Structure and Dynamics of Hydrated Ions, Chem. Rev, vol.93, pp.1157-1204, 1993. ,
Molecular Dynamics Simulationis of Water and Sodium Diffusion in Smectite Interlayer Nanopores as a Function of Pore Size and Temperature, J. Phys. Chem. C, vol.118, pp.1001-1013, 2013. ,
Connecting the Molecular Scale to the Continuum Scale for Diffusion Processes in Smectite-Rich Porous Media, Environ. Sci. Technol, vol.44, pp.2085-2091, 2010. ,
Diffusion of Water in Clays-Microscopic Simulation and Neutron Scaterring, Chem. Phys, vol.317, pp.226-235, 2005. ,
Cation and Water Structure, Dynamics and Energetics in Smectite Clays: A Molecular Dynamics Study of Ca-Hectorite, J. Phys. Chem. C ,
URL : https://hal.archives-ouvertes.fr/in2p3-01577617
Comparison of Molecular Dynamics Simulations with Triple Layer and Modified Gouy-Chapman Models in a 0.1 M NaCl-Montmorillonite System, J. Col. Inter. Sci, vol.339, pp.533-541, 2009. ,
URL : https://hal.archives-ouvertes.fr/hal-00514041