Publications

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Siboulet B, Molina J., Coasne BA, Turq P., Dufreche J-F.  2013.  Water self-diffusion at the surface of silica glasses: effect of hydrophilic to hydrophobic transition. Molecular Physics. 111(22-23):3410-3417.
Canivet J, Fateeva A, Guo Y, Coasne BA, Farrusseng D.  2014.  Water adsorption in MOFs: fundamentals and applications. Chemical Society Reviews. 43:5594-5617.
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Galarneau A, Villemot F, Rodriguez J, Fajula F, Coasne BA.  2014.  Validity of the t-plot Method to Assess Microporosity in Hierarchical Micro/Mesoporous Materials. Langmuir. 30(44):13266-13274.
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Bonnaud PA, Ji Q, Coasne BA, Pellenq RJean-Marc, Van Vliet KJ.  2012.  Thermodynamics of Water Confined in Porous Calcium-Silicate-Hydrates. Langmuir. 28(31):11422-11432.
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Tourne-Peteilh C, Coasne BA, In M, Brevet D, Devoisselle J-M, Vioux A, Viau L.  2014.  Surfactant Behavior of Ionic Liquids Involving a Drug: From Molecular Interactions to Self-Assembly. Langmuir. 30(5):1229-1238.
Ori G, Massobrio C, Bouzid A., Boero M., Coasne BA.  2014.  Surface of glassy GeS2: A model based on a first-principles approach. Physical Review B. 90
Falk KI, Coasne BA, Pellenq RJean-Marc, Ulm F-J, Bocquet L.  2015.  Subcontinuum mass transport of condensed hydrocarbons in nanoporous media.. Nat Commun. 6:ArticleNumber:6949.
Canivet J, Bonnefoy J, Daniel C, Legrand A, Coasne BA, Farrusseng D.  2014.  Structure-property relationships of water adsorption in metal-organic frameworks. New Journal of Chemistry. 38:3102-3111.
Hartkamp R, Coasne BA.  2014.  Structure and transport of aqueous electrolytes: From simple halides to radionuclide ions. Journal of Chemical Physics. 141:124508.
Ori G, Massobrio C, Pradel A, Ribes M, Coasne BA.  2015.  Structure and Dynamics of Ionic Liquids Confined in Amorphous Porous Chalcogenides. Langmuir. 31(24):6742-6751.
Cazade P-A, Hartkamp R, Coasne BA.  2014.  Structure and Dynamics of an Electrolyte Confined in Charged Nanopores. The Journal of Physical Chemistry C. 118(10):5061–5072.
Ori G, Massobrio C, Bouzid A., Coasne BA.  2015.  Springer Series in Materials ScienceMolecular Dynamics Simulations of Disordered MaterialsMolecular Modeling of Glassy Surfaces. 215:345-365.
Bonnaud PA, Coasne BA, Pellenq RJean-Marc.  2012.  Solvated calcium ions in charged silica nanopores. The Journal of Chemical Physics. 137(6):ArticleNumber:064706.
Ho LNgoc, Schuurman Y, Farrusseng D, Coasne BA.  2015.  Solubility of Gases in Water Confined in Nanoporous Materials: ZSM-5, MCM-41, and MIL-100. The Journal of Physical Chemistry C. 119(37):21547-21554.
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Deliere L, Topin S, Coasne BA, Fontaine J-P, De Vito S, Auwer CDen, Solari PLorenzo, Daniel C, Schuurman Y, Farrusseng D.  2014.  Role of Silver Nanoparticles in Enhanced Xenon Adsorption Using Silver-Loaded Zeolites. Journal of Physical Chemistry C . 118(43):25032-25040.
Hantal G, Brochard L, Pellenq RJean-Marc, Ulm F-J, Coasne BA.  2017.  Role of Interfaces in Elasticity and Failure of Clay–Organic Nanocomposites: Toughening upon Interface Weakening? Langmuir. 33(42):11457-11466.
Bousige C, Ghimbeu CMatei, Vix-Guterl C, Pomerantz AE, Suleimenova A, Vaughan G, Garbarino G, Feygenson M, Wildgruber C, Ulm F-J et al..  2016.  Realistic molecular model of kerogen’s nanostructure. Nature Materials.
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Lépinay M, Broussous L, Licitra C, Bertin F, Rouessac V, Ayral A, Coasne BA.  2015.  Probing the microporosity of low-k organosilica films: MP and t-plot methods applied to ellipsometric porosimetry data. Microporous and Mesoporous Materials. 217:119-124.
Galarneau A, Guenneau F, Gedeon A, Mereib D, Rodriguez J, Fajula F, Coasne BA.  2016.  Probing Interconnectivity in Hierarchical Microporous/Mesoporous Materials Using Adsorption and Nuclear Magnetic Resonance Diffusion. The Journal of Physical Chemistry C. 120(3):1562-1569.
Coasne BA, Long Y, Gubbins KE.  2014.  Pressure effects in confined nanophases. Molecular Simulation. 40(7-9):721-730.
Lépinay M, Broussous L, Licitra C, Bertin F, Rouessac V, Ayral A, Coasne BA.  2015.  Predicting Adsorption on Bare and Modified Silica Surfaces. The Journal of Physical Chemistry C. 119(11):6009-6017.
Coasne BA, Weigel C, Polian A, Kint M, Rouquette J, Haines J, Foret M, Vacher R, Ruffle B.  2014.  Poroelastic Theory Applied to the Adsorption-Induced Deformation of Vitreous Silica. The Journal of Physical Chemistry B. 118(49):14519-14525.
Barboiu M, Cazade P-A, Le Duc Y, Legrand Y-M, Van Der Lee A, Coasne BA.  2015.  Polarized Water Wires under Confinement in Chiral Channels. The Journal of Physical Chemistry B. 119(28):8707-8717.
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Bocquet M-L, Coasne BA, Pellenq RJean-Marc, Ulm F-J.  2015.  Organic–Clay Interfacial Chemical Bonds Probed by ab Initio Calculations. The Journal of Physical Chemistry C. 119(12):6511-6517.
Bousige C, Botan A, Ulm F-J, Pellenq RJean-Marc, Coasne BA.  2015.  Optimized molecular reconstruction procedure combining hybrid reverse Monte Carlo and molecular dynamics. The Journal of Chemical Physics. 142(11):ArticleNumber:114112.

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