Publications

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Journal Article
Ho LNgoc, Clauzier S, Schuurman Y, Farrusseng D, Coasne BA.  2013.  Gas uptake in solvents confined in mesopores: adsorption versus enhanced solubility. The Journal of Physical Chemistry Letters. 4(14):2274–2278.
Hocine S, Hartkamp R, Siboulet B, Duvail M, Coasne BA, Turq P., Dufreche J-F.  2016.  How Ion Condensation Occurs at a Charged Surface: A Molecular Dynamics Investigation of the Stern Layer for Water–Silica Interfaces. The Journal of Physical Chemistry C. 120(2):963-973.
Ori G, Villemot F, Viau L, Vioux A, Coasne BA.  2014.  Ionic liquid confined in silica nanopores: molecular dynamics in the isobaric-isothermal ensemble. Molecular Physics. 112:1350-1361.
Hartkamp R, Siboulet B, Dufreche J-F, Coasne BA.  2015.  Ion-specific adsorption and electroosmosis in charged amorphous porous silica. Phys. Chem. Chem. Phys.. 17(38):24683-24695.
Long Y, Palmer JC, Coasne BA, Sliwinska-Bartkowiak M, Jackson G, Mueller EA, Gubbins KE.  2013.  Large pressure enhancements in confined phases: effect of surface chemistry and roughness. J. Chem. Phys.. 139
Ayral A, Calas-Etienne S, Coasne BA, Deratani A, Grande D, Quemener D, Rossignol S.  2015.  Les matériaux poreux : un domaine scientifique et technologique pluridisciplinaire au futur radieux. Matériaux & Techniques. 103(7):701.
Alabarse FG, Rouquette J, Coasne BA, Haidoux A, Paulmann C, Cambon O, Haines J.  2015.  Mechanism of H2O Insertion and Chemical Bond Formation in AlPO 4-54·x H2O at High Pressure. Journal of the American Chemical Society. 137(2):584-587.
Epicoco P., Coasne BA, Gioia A., Papet P., Cabodi I., Gaubil M..  2013.  Mesoscopic Monte Carlo simulations of microstructure and conductivity of zirconia-based ceramics. J. Eur. Ceram. Soc.. 61(13):5018-5025.
Levitz PE, Bonnaud PA, Cazade P-A, Pellenq RJean-Marc, Coasne BA.  2013.  Molecular intermittent dynamics of interfacial water: probing adsorption and bulk confinement. Soft Matter. 9(36):8654-8663.
Long Y, Palmer JC, Coasne BA, Sliwinska-Bartkowiak M, Jackson G, Mueller EA, Gubbins KE.  2013.  On the molecular origin of high-pressure effects in nanoconfinement: The role of surface chemistry and roughness. Journal of Chemical Physics. 139
Coasne BA, Galarneau A, Gerardin C, Fajula F, Villemot F.  2013.  Molecular simulation of adsorption and transport in hierarchical porous materials. Langmuir. 29(25):7864–7875.
Ori G, Massobrio C, Pradel A, Ribes M, Coasne BA.  2016.  Nanoporous chalcogenides for adsorption and gas separation. Physical Chemistry Chemical Physics. 18(19):13449-13458.
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.
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.
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.
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.
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, Long Y, Gubbins KE.  2014.  Pressure effects in confined nanophases. Molecular Simulation. 40(7-9):721-730.
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.
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.
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.
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.
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.
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.
Bonnaud PA, Coasne BA, Pellenq RJean-Marc.  2012.  Solvated calcium ions in charged silica nanopores. The Journal of Chemical Physics. 137(6):ArticleNumber:064706.

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