Publications

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2017
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.
2016
Lee T, Bocquet L, Coasne BA.  2016.  Activated desorption at heterogeneous interfaces and long-time kinetics of hydrocarbon recovery from nanoporous media. Nature Communications. 7:ArticleNumber11890.
Deliere L, Villemot F, Farrusseng D, Galarneau A, Topin S, Coasne BA.  2016.  Adsorption in heterogeneous porous media: Hierarchical and composite solids. Microporous and Mesoporous Materials. 229:145-154.
Deliere L, Coasne BA, Topin S, Gréau C, Moulin C, Farrusseng D.  2016.  Breakthrough in Xenon Capture and Purification Using Adsorbent-Supported Silver Nanoparticles. Chemistry - A European Journal. 22(28):9660-9666.
Obliger A, Pellenq RJean-Marc, Ulm F-J, Coasne BA.  2016.  Free Volume Theory of Hydrocarbon Mixture Transport in Nanoporous Materials. The Journal of Physical Chemistry Letters. 7(19):3712-3717.
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, Massobrio C, Pradel A, Ribes M, Coasne BA.  2016.  Nanoporous chalcogenides for adsorption and gas separation. Physical Chemistry Chemical Physics. 18(19):13449-13458.
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.
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.
2015
Ayral A, Calas-Etienne S, Coasne BA, Deratani A, Evstratov A, Galarneau A, Grande D, Hureau M, Jobic H, Morlay C et al..  2015.  Advances in design and modeling of porous materials. The European Physical Journal Special Topics. 224(9):1653-1653.
Bender JS, Coasne BA, Fourkas JT.  2015.  Assessing Polarizability Models for the Simulation of Low-Frequency Raman Spectra of Benzene. The Journal of Physical Chemistry B. 119(29):9345-9358.
Botan A, Ulm F-J, Pellenq RJean-Marc, Coasne BA.  2015.  Bottom-up model of adsorption and transport in multiscale porous media.. Phys Rev E Stat Nonlin Soft Matter Phys. 91(3):ArticleNumber:032133.
Brochard L, Hantal G, Laubie H, Ulm F-J, Pellenq RJean-Marc, Coasne BA.  2015.  Capturing material toughness by molecular simulation: accounting for large yielding effects and limits. International Journal of Fracture. 194(2):149-167.
Secret E, Wu C-C, Chaix A, Galarneau A, Gonzalez P, Cot D, Sailor MJ, Jestin J, Zanotti J-M, Cunin F et al..  2015.  Control of the Pore Texture in Nanoporous Silicon via Chemical Dissolution. Langmuir. 31(29):8121-8128.
Falk KI, Pellenq RJean-Marc, Ulm F-J, Coasne BA.  2015.  Effect of Chain Length and Pore Accessibility on Alkane Adsorption in Kerogen. Energy & Fuels. 29(12):7889-7896.
Coasne BA.  2015.  Effect of Surface Texture on Freezing in Nanopores: Surface-Induced versus Homogeneous Crystallization. Langmuir. 31(9):2706-2713.
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.
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.
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.
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.
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.
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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