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Accueil > Pages personnelles > Benoit Coasne

Benoit Coasne, webpage

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CNRS Research Director

President of the French Adsorption Society (www.adsorption.fr)

CV with a publication list (January 2017) : Coasne CV {PDF}
benoit.coasne@univ-grenoble-alpes.fr

Education

  • 2011 Habilitation, University Montpellier 2, France. Thermodynamics and Dynamics of Fluids, Electrolytes and Solids Confined in Porous Materials.
  • 2003 PhD, University Paris 7, France. Adsorption and Condensation of Simple Fluids in Porous Silicon
  • 1999 Master (DEA) Solid State Physics, University Paris 7, France.

Academic Positions

  • 2015/.. CNRS Research Director 2nd Class, Laboratoire Interdisciplinaire de Physique, Grenoble, France
  • 2012/14 Visiting Associate Professor, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology (MIT), Cambridge, MA, USA
  • 2012/14 CNRS Researcher 1st Class, Multiscale Materials Science for Energy and Environment, Massachusetts Institute of Technology (MIT) and CNRS, Cambridge, MA, USA
  • 2005/12 CNRS Researcher 2nd Class (1st class since 2009), Institut Charles Gerhardt, Montpellier, France.
  • 2003/05 Postdoctorat, Department of Chemical Engineering, North Carolina State University, Raleigh, NC, USA. Pr. Keith Gubbins.

Scientific Production

  • 130 Articles
  • 17 Conference Proceedings
  • 2 Book Chapter
  • 22 Invited Conferences

Research Themes

My research consists of studying by means of atomistic molecular simulations (Monte Carlo or Molecular Dynamics) the properties of fluids, electrolytes, and materials confined in nanoporous solids (pore size in the range 0.1 nm to 50 nm). The aim of this research is to complete experimental studies and gain fundamental insights on the role played at the nanoscale by surface forces and confinement on adsorption, wetting, condensation, solidification, etc. An important point in my work is to consider both ideal and realistic systems in order to identify the effect of the properties of the porous materials on the thermodynamics and dynamics of the confined system. My research can be subdivided into three main areas : (1) Adsorption and Transport in Porous Materials, (2) Freezing and Crystallization in Pores, and (3) Ion Adsorption and Transport in Porous Media

  • Adsorption and Transport in Porous Materials

Porous materials, which possess pore sizes spanning over several orders of magnitude, are widely used for filtration, phase separation, and catalysis. Nevertheless, the rational design of such multiscale materials has been hampered by the lack of a bottom-up description of adsorption and transport in porous media. While some approaches are available, they are limited to macroscopic equations with empirical parameters which cannot be derived from molecular thermodynamic and dynamic coefficients. These approaches do not constitute the ground for a multiscale model of adsorption and transport in porous media as (1) they assume that hydrodynamics remains valid even at the nm scale, (2) they are not multiscale in nature, and (3) they only capture the interplay between adsorption and transport empirically. My work on adsorption and transport in porous materials aims at developing a rigorous bottom up model of adsorption and transport in multiscale porous materials. This model uses Statistical Mechanics tools to upscale variables across time and length scales.

For my recent work on adsorption and transport in hierachical porous materials, see :
B. Coasne, A. Galarneau, C. Gerardin, F. Fajula, F. Villemot, Molecular simulation of adsorption and transport in hierarchical porous materials, Langmuir 29, 7864 (2013).
F. Villemot, A. Galarneau, B. Coasne, Adsorption and dynamics in hierarchical Metal Organic Frameworks, J. Phys. Chem. C, in press (2014).

  • Freezing and Crystallization in Pores

Freezing in porous materials is of fundamental interest in understanding the effect of confinement, reduced dimension, and surface forces on the thermodynamics and dynamics of liquids and solids. Freezing of liquids confined at the nanoscale is also relevant to applications involving lubrication, nanotribology, and fabrication of nanomaterials. Experimental and theoretical works on simple liquids and pore geometries have shown that the shift in freezing temperature Tf with respect to the bulk
Tf0 is such that Tf - Tf0 = (a-1)/H* where H* is the pore size H reduced with respect to the size of the adsorbate molecule while a is the ratio of the wall-fluid to the fluid-fluid interaction strengths. Tf is decreased compared to the bulk for a < 1 while it is increased for a > 1. My work in this area consists of determining to what extent the simple picture above can be extended to more complex systems such as water in confined geometries or disordered porous solids.

For my recent work on freezing in porous materials, see :
F. Alabarse, J. Haines, O. Cambon, C. Levelut, D. Bourgogne, A. Haidoux, D. Granier, B. Coasne, Freezing of water confined at the nanoscale, Phys. Rev. Lett. 109, 035701 (2012).
B. Coasne, S. K. Jain, K. E. Gubbins, Freezing of fluids confined in a disordered nanoporous structure, Phys. Rev. Lett. 97, 105702 (2006).

  • Electrolytes and Ionic Liquids in Porous Media

When a electrolyte solution flows through a porous medium, several phenomena are observed which depend on the properties of the porous material and the nature of the electrolyte/solid interface. The porous nature of the material offers a large contact surface area which allows increasing the reactivity but leads to complex transport with both diffusion and convection. The solid/solution interface is characterized by the formation of electric charges at the surface which, in turn, create an electrostatic field responsible for the electrical double layer. Modeling at the nanoscale the impact of confinement and surface chemistry on the behavior of the confined electrolyte is a major challenge in chemical physics. My research in this field has started a few years ago to model ionic transport in hydrophobic/hydrophilic nanoporous materials in contact with an electrolyte. I am also interested in considering more complex coulombic systems such as ionic liquids and materials known as ionogels.

For my recent work on ion adsorption and transport in porous materials, see :
P. A. Cazade, R. Hartkamp, B. Coasne, Structure and dynamics of an electrolyte solution confined in charged nanopores,J. Phys. Chem. C 118, 5061 (2014).
B. Coasne, L. Viau, A. Vioux, Loading-controlled stiffening in nanoconfined ionic liquids, J. Phys. Chem. Lett. 2, 1150 (2011).


Current PhD Students and Postdocs

  • Romain BEY (PhD Student). « Adsorption and Transport in Hierarchical Porous Materials ».
  • Dongliang JIN (PhD Student). « Molecular Simulation of Confined Methane Hydrates ».
  • Izabel COSTA MEIDEROS (PhD Student at IFPEN, Solaize). « Role of External Surface Area in Hierarchical Zeolites ».

Publications

P120. A. Obliger, R. J. M. Pellenq, F. J. Ulm, B. Coasne, Free Volume Theory of Hydrocarbon Mixture Transport in Nanoporous Materials, J. Phys. Chem. Lett. 7, 3712 (2016).

P119. J. Bender, S. Cohen, X. He, J. Fourkas, B. Coasne, Toward In Situ Measure-ment of the Density of Liquid Benzene using Optical Kerr Effect Spectroscopy, J. Phys. Chem. B 120, 9103 (2016).

P118. G. Ori, C. Massobrio, A. Pradel, M. Ribes, B. Coasne, Nanoporous chalco-genides for adsorption and gas separation, Phys. Chem. Chem. Phys. 18, 13449-13458 (2016).

P117. T. Lee, L. Bocquet, B. Coasne, Activated desorption at heterogeneous inter-faces and long-time kinetics of hydrocarbon recovery from nanoporous media, Nature Comm 7, 11890 (2016).

P116. L. Deliere, F. Villemot, D. Farrusseng, A. Galarneau, S. Topin, B. Coasne, Adsorption in heterogeneous microporous materials, Microp. Mesop. Mater. 229, 145-154 (2016).

P115. L. Deliere, B. Coasne, S. Topin, C. Greau, C. Moulin, D. Farrusseng, Break-through in Xenon Capture and Purification Using Adsorbent-Supported Silver Nano-particles, Chem. A Eur. J. 22, 9660-9666 (2016).

P114. B. Coasne, Multiscale adsorption and transport in hierarchical porous materials (perspective paper), New J. Chem. 40, 4078-4094 (2016).

P113. S. Hocine, R. Hartkamp, B. Siboulet, M. Duvail, B. Coasne, P. Turq, J. F. Dufreche, How ion condensation occurs at a charged surface : a molecular dynamics investigation of the Stern layer for water-silica interfaces, J. Phys. Chem. C 120, 963 (2016).

P112. C. Bousige, C. Ghimbeu, C. Vix, A. E. Pomerantz, A. Suleimenova, G. Vaughan, G. Garbarino, M. Feygenson, C. Wildgruber, F. J. Ulm, R. J. M. Pellenq, B. Coasne, Realistic molecular model of kerogen’s nanostructure, Nature Materials 15, 576-582 (2016).

P111. A. Galarneau, A. Sasche, B. Said, C. H. Pelisson, P. Boscaro, N. Brun, L. Courtheoux, N. Olivi-Tran, B. Coasne, F. Fajula, Hierarchical Porous Silica Mono-liths : a Novel Class of Microreactors for Process intensification in Catalysis and Ad-sorption, Comptes Rendus Chimie 19, 231 (2016).

P110. A. Galarneau, F. Guenneau, A. Gedeon, D. Mereib, J. Rodriguez, F. Fajula, B. Coasne, Probing Interconnectivity in Hierarchical Microporous/Mesoporous Materi-als using Adsorption and Nuclear Magnetic Resonance Diffusion, J. Phys. Chem. C 120, 1562 (2016).

P109. K. Falk, R. Pellenq, F. J. Ulm, B. Coasne, Effect of Chain Length and Pore Accessibility on Alkane Adsorption in Kerogen, Energy Fuels 29, 7889 (2015).

P108. A. Ayral, S. Calas-Etienne, B. Coasne, A. Deratani, D. Grande, D. Quemener, S. Rossignol, Les matériaux poreux : un domaine scientifique et technologique pluri-disciplinaire au futur radieux, Matériaux et Techniques 103, 701 (2015).

P107. R. Hartkamp, B. Siboulet, J. F. Dufreche, B. Coasne, Ion-Specific Adsorption and Electroosmosis in Charged Amorphous Porous Silica, Phys. Chem. Chem. Phys. 17, 24683 (2015).

P105. A. Ayral, S. Calas-Etienne, B. Coasne, A. Deratani, A. Evstratov, A. Galar-neau, D. Grande, M. Hureau, H. Jobic, C. Morlay, J. Parmentier, B. Prelot, S. Ros-signol, A. Simon-Masseron, F. Thibault-Starzyk, Advances in Design and Modeling of Porous Materials, Eur. Phys. J. Special Topics 224, 1653 (2015).
P106. L. Ho, Y. Schuurman, D. Farrusseng, B. Coasne, Solubility of Gases in Water Confined in Nanoporous Materials : ZSM-5, MCM-41, MIL-100, J. Phys. Chem. C 119, 21547 (2015).

P104. E. Secret, C. C. Wu, A. Chaix, A. Galarneau, P. Gonzalez, D. Cot, M. J. Sailor, J. Jestin, J. M. Zanotti, F. Cunin, B. Coasne, Control of the Pore Texture in Nanopo-rous Silicon via Chemical Dissolution, Langmuir 31, 8121 (2015).

P103. M. Barboiu, P. A. Cazade, Y. Le Duc, Y. M. Legrand, A. van der Lee, B. Coasne, Polarized water-wires under confinement inside chiral nanochannels, J. Phys. Chem. B 119, 8707 (2015).

P102. G. Ori, C. Massobrio, A. Pradel, M. Ribes, Structure and Dynamics of Ionic Liquids Confined in Amorphous Porous Chalcogenides, Langmuir 31, 6742 (2015).

P101. M. Lepinay, L. Broussous, C. Licitra, F. Bertin, V. Rouessac, A. Ayral, B. Coasne, Probing the microporosity of low-k organosilica films : MP and t-plot meth-ods applied to ellipsometric porosimetry data, Microp. Mesop. Mater. 217, 119 (2015).

P100. M. L. Bocquet, B. Coasne, R. Pellenq, F. J. Ulm, Organic-clay interfacial chemical bonds probed by ab initio calculations, J. Phys. Chem. C 119, 6511 (2015).

P99. K. Falk, B. Coasne, R. Pellenq, F. –J. Ulm, L. Bocquet, Subcontinuum mass transport of condensed hydrocarbons in nanoporous media, Nature Comm. 6, 6949 (2015).

P98. C. Bousige, A. Botan, F. –J. Ulm, R. J.-M. Pellenq, B. Coasne, Optimized atom-ic reconstruction procedure combining Hybrid Reverse Monte Carlo and Molecular Dynamics, J. Chem. Phys. 142, 114112 (2015).

P97. A. Botan, B. Coasne, R. Pellenq, F. J. Ulm, A bottom-up approach of mul-tiscale transport in porous media, Phys. Rev. E 91, 032133 (2015).

P96. M. Lepinay, L. Broussous, K. Courouble, C. Licitra, F. Bertin, V. Rouessac, A. Ayral, B. Coasne, Predicting Adsorption on Bare and Modified Silica Surfaces, J. Phys. Chem. C 119, 6009 (2015).

P95. B. Coasne, Effect of surface texture on freezing of argon in nanopores : Surface-induced versus homogeneous crystallization, Langmuir 37, 2706 (2015).

P94. F. G. Alabarse, J. Rouquette, B. Coasne, A. Haidoux, C. Paulmann, O. Cam-bon, J. Haines, Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54.xH2O at high pressure, J. Am. Chem. Soc. 137, 584 (2015).

P93. J. S. Bender, B. Coasne, J. T. Fourkas, Assessing Polarizability Models for the Simulation of Low-Frequency Raman Spectra of Benzene, J. Phys. Chem. B 119, 9345 (2015).

P92. B. Coasne, C. Weigel, A. Polian, M. Kint, J. Rouquette, J. Haines, M. Foret, R. Vacher, B. Ruffle, Poroelastic Theory Applied to the Adsorption-induced Defor-mation of Vitreous Silica, J. Phys. Chem. B 118, 14519 (2014).

P91. A. Galarneau, F. Villemot, J. Rodriguez, B. Coasne, Validity of the t-plot Method to Assess Microporosity in Hierarchical Micro/Mesoporous Materials, Lang-muir 30, 13266 (2014).

P90. L. Deliere, S. Topin, B. Coasne, D. Farrusseng, J. P. Fontaine, S. De Vito, C. Den Auwer, P. L. Solari, C. Daniel, Y. Schuurman, Role of Silver Nanoparticles in Enhanced Xenon Adsorption using Silver loaded Zeolites, J. Phys. Chem. C 118, 25032 (2014).

P89. R. Hartkamp, B. Coasne, Structure and transport of aqueous electrolytes : from simple halides to radionuclide ions, J. Chem. Phys. 141, 124508 (2014).

P88. E. D. Manga, H. Blasco, P. Da Costa, M. Drobek, A. Ayral, E. Le Clezio, G. Despaux, B. Coasne, A. Julbe, Effect of Gas Adsorption on Acoustic Propagation in Zeolites : Experiment and Molecular Simulation, Langmuir 30, 10336 (2014).

P87. G. Ori, C. Massobrio, A. Bouzid, M. Boero, B. Coasne, Surface of glassy GeS2 : a model based on a first-principles approach, Phys. Rev. B 90, 045423 (2014).

P86. J. Canivet, A. Fateeva, Y. Guo, B. Coasne, D. Farrusseng, Water adsorption in MOFs : fundamentals and applications (Invited review paper), Chem. Soc. Rev. 43, 5594 (2014).

P85. M. Barboiu, A. Gilles, Y. Le Duc, P. A. Cazade, M. Michau, Y. M. Legrand, A. Van der Lee, B. Coasne, J. Post, T. Fyles, An artificial primitive mimic of the Gram-icidin-A channel, Nature Comm. 5, 4142 (2014).

P84. S. Clauzier, L. Ngoc Ho, M. Pera-Titus, D. Farrusseng, B. Coasne, Enhanced H2 solubility in n-alkane confined in mesoporous materials, J. Phys. Chem. C 118, 10720 (2014).

P83. J. Canivet, J. Bonnefoy, C. Daniel, B. Coasne, D. Farrusseng, Structure-property relationships of water adsorption in Metal-Organic Frameworks, New J. Chem. 38, 3102 (2014).

P82. F. Villemot, A. Galarneau, B. Coasne, Adsorption and dynamics in hierarchical Metal Organic Frameworks, J. Phys. Chem. C 118, 7423 (2014).

P81. G. Hantal, L Brochard, H. Laubie, D. Ebrahimi, R. J.-M. Pellenq, F. J. Ulm, B. Coasne, Atomic-scale modeling of elastic and failure properties of clays, Mol. Phys. 112, 1294 (2014).

P80. F. Villemot, A. Galarneau, B. Coasne, Adsorption-based characterization of hierarchical metal-organic frameworks, Adsorption 20, 349 (2014).

P79. G. Ori, F. Villemot, L. Viau, A. Vioux, B. Coasne, Ionic liquid confined in silica nanopores : Molecular Dynamics in the isobaric-isothermal ensemble, Mol. Phys. 112, 1350 (2014).

P78. P. A. Cazade, R. Hartkamp, B. Coasne, Structure and dynamics of an electro-lyte solution confined in charged nanopores, J. Phys. Chem. C 118, 5061
(2014).

P77. P. Billemont, B. Coasne, G. De Weireld, Adsorption of carbon dioxide-methane mixture in porous carbons : effect of surface chemistry, Adsorption 20, 453 (2014).

P76. C. Tourne-Peteilh, B. Coasne, M. In, D. Brevet, J. –M. Devoisselle, A. Vioux, L. Viau, Surfactant Behavior of Ionic Liquids Involving a Drug : From Molecular In-teractions to Self-Assembly, Langmuir 30, 1229 (2014).

P75. K. I. Falk, B. Coasne, R. J. M. Pellenq, Effect of temperature on adsorption of mixtures in porous materials, Mol. Simul. 40, 45 (2014).

P74. B. Coasne, K. E. Gubbins, Y. Long, Pressure effects in confined nanophases (Invited review paper), Mol. Simul. 40, 721 (2014).

P73. B. Siboulet, B. Coasne, J. F. Dufreche, J. Molina, P. Turq, Influence of hydro-philicity on water self-diffusion at irradiated glass interfaces (invited paper), Mol. Phys. 111, 3410 (2013).

P72. M. Celino, S. Le Roux, A. Bouzid, G. Ori, B. Coasne, M. Boero, C. Massobrio, First-principles molecular dynamics study of glassy GeS2 : Atomic structure and bond-ing properties, Phys. Rev. B 88, 174201 (2013).

P71. Y. Long, J. C. Palmer, B. Coasne, M. Sliwinska-Bartkowiak, G. Jackson, E. A. Muller, K. E. Gubbins, J. C. Palmer, M. Sliwinska-Bartkowiak, On the Molecular Origin of High Pressure Effects in Nanoconfinement : Effects of Surface Chemistry and Roughness, J. Chem. Phys. 139, 144701 (2013).

P70. P. Levitz, P. A. Bonnaud, P. A. Cazade, R. J. M. Pellenq, B. Coasne, Molecular intermittent dynamics of interfacial water : probing adsorption and bulk confinement, Soft Matter 9, 8654 (2013).

P69. L. N. Ho, S. Clauzier, Y. Schuurman, D. Farrusseng, B. Coasne, Gas uptake in solvents confined in mesopores : Adsorption versus enhanced solubility, J. Phys. Chem. Lett. 4, 2274 (2013).

P68. B. Coasne, A. Galarneau, C. Gerardin, F. Fajula, F. Villemot, Molecular simu-lation of adsorption and transport in hierarchical porous materials, Langmuir 29, 7864 (2013).

P67. P. Epicoco, B. Coasne, A. Gioia, P. Papet, I. Cabodi, M. Gaubil, Mesoscopic Monte Carlo simulations of microstructure and conductivity of ZrO2-glass compo-sites, Acta Materialia 61, 5018 (2013).

P66. A. F. Cosseron, T. J. Daou, L. Tzanis, H. Nouali, I. Deroche, B. Coasne, V. Tchaber, J. Patarin, Adsorption of Volatile Organic Compounds in pure silica CHA, *BEA, MFI and STT-type zeolites, Microp. Mesop. Mater. 173, 144, (2013).

P65. P. Billemont, B. Coasne, G. De Weireld, Adsorption of carbon dioxide, me-thane, and their mixture in porous carbons : effect of surface chemistry, water content and pore disorder, Langmuir 29, 3328 (2013).

P64. B. Coasne, A. Galarneau, R. J. M. Pellenq, F. Di Renzo, Adsorption, intrusion and freezing in porous silica : the view from the nanoscale (Invited review paper), Chem. Soc. Rev. 42, 4141 (2013).

P63. S. Clauzier, L. Ngoc Ho, M. Pera-Titus, B. Coasne, D. Farrusseng, Enhanced H2 uptake in solvents confined in mesoporous metal-organic framework, J. Am. Chem. Soc. 134, 17369 (2012).

P62. P. A. Bonnaud, B. Coasne, R. J. M. Pellenq, Solvated Calcium Ions in Charged Silica Nanopores, J. Chem. Phys. 137, 064706 (2012).

P61. B. Coasne, P. Ugliengo, Atomistic model of micelle-templated mesoporous silicas : structural, morphological and adsorption properties, Langmuir, 28, 11131 (2012).

P60. P. A. Bonnaud, Q. Li, B. Coasne, R. J. M. Pellenq, K. J. Van Vliet, Thermody-namics of water confined in porous calcium-silicate-hydrates, Langmuir 28, 11422 (2012).

P59. F. Alabarse, J. Haines, O. Cambon, C. Levelut, D. Bourgogne, A. Haidoux, D. Granier, B. Coasne, Freezing of water confined at the nanoscale, Phys. Rev. Lett. 109, 035701 (2012).

P58. A. Boutin, B. Coasne, A. H. Fuchs, A. Galarneau, F. Di Renzo, Experiment and Theory of Low Pressure Nitrogen Adsorption in Organic Layers Supported or Grafted on Inorganic Adsorbents : Towards a Tool to Characterize Surfaces of Hybrid Organic/Inorganic Systems, Langmuir 28, 9526 (2012).

P57. A. Sachse, R. Ameloot, B. Coq, F. Fajula, B. Coasne, D, De Vos, A, Galar-neau, In situ synthesis of Cu-BTC (HKUST-1) in macro/mesoporous silica monoliths for continuous flow catalysis, Chem. Comm. 48, 4749 (2012).

P56. Y. Long, J. C. Palmer, B. Coasne, M. Sliwinska-Bartkowiak, K. E. Gubbins, Under pressure : Quasi-high pressure effects in nanopores, Microp. Mesop. Mater. 154, 19 (2012).

P55. J. Dweik, B. Coasne, J. Palmeri, P. Jouanna, P. Gouze, Inner and subsurface distribution of water and ions in weakly and highly hydrophilic uncharged nanoporous materials : a molecular dynamics study of a confined NaI electrolyte solution, J. Phys. Chem. C 116, 726 (2012).

P54. B. Coasne, J. Haines, C. Levelut, O. Cambon, M. Santoro, F. Gorelli, G. Gar-barino, Enhanced mechanical strength of zeolites by adsorption of guest molecules, Phys. Chem. Chem. Phys. (communication) 13, 20096 (2011).

P53. Y. Long, J. C. Palmer, B. Coasne, M. Sliwinska-Bartkowiak, K. E. Gubbins, Pressure enhancement in nanopores : a major confinement effect, Phys. Chem. Chem. Phys. 13, 17163 (2011).

P52. B. Coasne, J. T. Fourkas, Structure and dynamics of benzene confined in silica nanopores, J. Phys. Chem. C 115, 15471 (2011).

P51. B. Siboulet, B. Coasne, J. F. Dufrêche, P. Turq, Hydrophobic Transition in Porous Amorphous Silica, J. Phys. Chem. B 115, 7881 (2011).

P50. B. Coasne, L. Viau, A. Vioux, Loading-controlled stiffening in nanoconfined ionic liquids, J. Phys. Chem. Lett. 2, 1150 (2011).

P49. B. Coasne, C. Alba-Simionesco, F. Audonnet, G. Dosseh, K. E. Gubbins, Adsorption, structure, and dynamics of benzene in ordered and disordered porous carbons, Phys. Chem. Chem. Phys. 13, 3748 (2011).

P48. P. Billemont, B. Coasne, G. De Weireld, An experimental and molecular simu-lation study of the adsorption of carbon dioxide and methane in nanoporous carbons in presence of water, Langmuir 27, 1015 (2011).

P47. B. Coasne, R. Metz, Mesoscopic Monte Carlo simulations of interfacial films in ZnO-Bi2O3 ceramics, J. Eur. Ceram. Soc. 311, 597 (2011).

P46. B. Ratajczak, M. Sliwinska-Bartkowiak, T. Koziol, B. Coasne, K. E. Gubbins, An apparent critical point in binary mixtures of nitrotoluene with alkanes : experi-mental and simulation study, J. Comp. Meth. Sc. Eng. 10, 561 (2010).

P45. B. Coasne, J. Czwartos, M. Sliwinska-Bartkowiak, K. E. Gubbins, Freezing of mixtures confined in silica nanopores : Experiment and molecular simulation, J. Chem. Phys. 133, 08470 (2010).

P44. D. Horlait, B. Coasne, A. Mezy, D. Ravot, J. C. Tedenac, Zinc oxide nanostructures confined in carbon nanotubes, Mol. Sim. 36, 1045 (2010).

P43. P. -A. Cazade, J. Dweik, B. Coasne, F. Henn, J. Palmeri, Molecular simulation of ion-specific effects in confined electrolyte solutions using polarizable forcefields, J. Phys. Chem. C 114, 12245 (2010).

P42. L. Bruschi, G. Mistura, L. Liu, W. Lee, U. Gosele, B. Coasne, Capillary condensation and evaporation in ordered nanopores with controlled modulations, Langmuir 26, 11894 (2010).

P41. B. Coasne, A. Galarneau, F. Di Renzo, R. J. M. Pellenq, Molecular simulation of nitrogen adsorption in nanoporous silica, Langmuir 26, 10872 (2010).

P40. P. Bonnaud, B. Coasne, R. J. M. Pellenq, Molecular simulation of water confined in nanoporous silica, J. Phys. Condens. Matter 22, 284110 (2010).

P39. C. Abrioux, S. Balme, B. Coasne, S. Devautour-vinot, M. Kharroubi, G. Mau-rin, F. Henn, Effect of water adsorption on ion dynamics in confined geometry : Na+ faujasites and homoionic alkali exchanged montmorillonite, J. Phys. Soc. Jpn 79, 19 (2010).

P38. J. Czwartos, M. Sliwinska-Bartkowiak, B. Coasne, K. E. Gubbins, Melting of mixtures confined in nanoporous silicas, Pure Appl. Chem. 81, 1953 (2009).

P37. B. Coasne, J. Czwartos, M. Sliwinska-Bartkowiak, K. E. Gubbins, Effect of pressure on freezing of pure fluids and mixtures confined in nanopores, J. Phys. Chem. B 113, 13874 (2009).

P36. B. Coasne, C. Alba-Simionesco, F. Audonnet, G. Dosseh, K. E. Gubbins, Adsorption and structure of benzene on silica surfaces and nanopores, Langmuir 25, 10648 (2009).

P35. C. Abrioux, B. Coasne, G. Maurin, F. Henn, M. Jeffroy, A. Boutin, Cation be-havior in Faujasite zeolites upon water adsorption : A combination of Monte Carlo and Molecular Dynamics simulations, J. Phys. Chem. C 113, 10696 (2009).

P34. A. Galarneau, N. Calin, J. Iapichella, M. Barrande, R. Denoyel, B. Coasne, F. Fajula, Optimization of the properties of macroporous chromatography silica supports through surface roughness control, Chem. Mater. 21, 1884 (2009).

P33. B. Coasne, A. Mezy, R. J. M. Pellenq, D. Ravot, J. C. Tedenac, Zinc oxide nanostructures confined in porous silicas, J. Am. Chem. Soc. 131, 2185 (2009).

P32. B. Coasne, A. Galarneau, F. Di Renzo, R. J. M. Pellenq, Intrusion and retrac-tion of fluids in nanopores : Effect of morphological heterogeneity, J. Phys. Chem. C 113, 1953 (2009).

P31. S. Bhattacharya, B. Coasne, F. R. Hung, K. E. Gubbins, Modeling Micelle-Templated Mesoporous Material SBA-15 : Atomistic Model and Gas Adsorption Studies, Langmuir, 25, 5802 (2009).

P30. R. J. M. Pellenq, B. Coasne, R. Denoyel, O. Coussy, Simple Phenomenological Model for Phase Transitions in Confined Geometry. 2 : Capillary Condensa-tion/Evaporation in Cylindrical Nanopores, Langmuir 25, 1393 (2009).

P29. A. Galarneau, B. Lefevre, H. Cambon, B. Coasne, S. Valange, Z. Gabelica, J. P. Bellat, F. Di Renzo, Pore-shape effects in the determination of the pore size of or-dered mesoporous silicas by nitrogen adsorption and mercury intrusion, J. Phys. Chem. C 112, 12921 (2008).

P28. B. Coasne, A. Galarneau, F. Di Renzo, R. J. M. Pellenq, Adsorption of simple fluid on silica surface and nanopore : Effect of surface chemistry and pore shape, Langmuir 24, 7285 (2008).

P27. C. Abrioux, B. Coasne, G. Maurin, F. Henn, A. Boutin, A. Di Lella, C. Nieto-Draghi, Ph. Ungerer, A. H. Fuchs, A molecular simulation study of the cation distri-bution in zeolites, Adsorption 14, 743 (2008).

P26. B. Kuchta, L. Firlej, R. Denoyel, S. Rols, M. R. Johnson, B. Coasne, Melting mechanism of monolayers adsorbed in cylindrical pores : The influence of the pore wall roughness, J. Chem. Phys. 128, 184703 (2008).

P25. B. Coasne, A. Galarneau, F. Di Renzo, R. J. M. Pellenq, Molecular simulation of adsorption and intrusion in nanopores, Adsorption 14, 215 – 221 (2008).

P24. F. R. Hung, B. Coasne, S. Bhattacharya, M. Thommes, K. E. Gubbins, Argon and Krypton adsorption on templated mesoporous silicas : Molecular simulation and experiment, Adsorption 13, 425 – 437 (2007).

P23. B. Coasne, C. Alba-Simionesco, F. Audonnet, G. Dosseh, K. E. Gubbins, Molecular simulation of the adsorption and structure of benzene confined in mesoporous silicas, Adsorption 13, 485 - 490 (2007).

P22. B. Coasne, A. Galarneau, F. Di Renzo, R. J. M. Pellenq, Effect of morphologi-cal defects on gas adsorption in nanoporous silicas, J. Phys. Chem. C, 111, 15759 – 15770 (2007).

P21. B. Ratajczak, M. Sliwinska-Bartkowiak, B. Coasne, K. E. Gubbins, Apparent critical point in binary mixtures of m-nitrotoluene and n-alkanes : Experimental and simulation study, J. Non Crystal. Sol. 353, 4565 – 4569 (2007).

P20. B. Coasne, S. K. Jain, L. Naamar, K. E. Gubbins, Freezing of argon in ordered and disordered porous carbons, Phys. Rev. B 76, 085416 (2007).

P19. B. Coasne, S. K. Jain, K. E. Gubbins, Adsorption, structure and dynamics of fluids in ordered and disordered models of porous carbons, Mol. Phys. 104, 3491 (2006).

P18. B. Coasne, A. Galarneau, F. Di Renzo, R. J. M. Pellenq, Gas adsorption in mesoporous templated silicas : MCM-41, MCM-48 and SBA-15, Langmuir 22, 11097 (2006).

P17. B. Coasne, S. K. Jain, K. E. Gubbins, Freezing of fluids confined in a disor-dered nanoporous structure, Phys. Rev. Lett. 97, 105702 (2006).

P16. B. Coasne, K. E. Gubbins, F. R. Hung, S. K. Jain, Adsorption and structure of argon in activated porous carbons, Mol. Sim. 32, 557 – 566 (2006).

P15. C. Alba-Simionesco, B. Coasne, G. Dosseh, G. Dudziak, K. E. Gubbins, R. Radhakrishnan, M. Sliwinska-Bartkowiak, Effects of Confinement on Freezing and Melting (Invited review paper), J. Phys. : Condens. Matter 18, R15 – R68 (2006).

P14. B. Coasne, F. R. Hung, R. J. –M Pellenq, F. R. Siperstein, K. E. Gubbins, Ad-sorption of simple gases in MCM-41 materials : the role of surface roughness, Lang-muir 22, 194 (2006).

P13. B. Coasne, K. E. Gubbins, R. J. –M. Pellenq, Domain theory for capillary con-densation hysteresis, Phys. Rev. B 72, 024304 (2005).

P12. J. Czwartos, B. Coasne, F. R. Hung, K. E. Gubbins, M. Sliwinska-Bartkowiak, Freezing and melting of azeotropic mixtures confined in nanopores : experiment and molecular simulation, Mol. Phys. 103, 3103 – 3113 (2005).

P11. B. Coasne, F. R. Hung, F. R. Siperstein, K. E. Gubbins, Molecular simulation of gas adsorption in realistic models of silica nanopores, Ann. Chim. Sci. Mat. 30, 375 – 383 (2005).

P10. F. R. Hung, B. Coasne, E. E. Santiso, K. E. Gubbins, F. R. Siperstein, M. Sli-winska-Bartkowiak, Molecular modeling of freezing of simple fluids confined within carbon nanotubes, J. Chem. Phys. 122, 144706 (2005).

P9. B. Coasne, J. Czwartos, K. E. Gubbins, F. R. Hung, M. Sliwinska-Bartkowiak, Freezing of mixtures confined in a slit nanopore, Adsorption 11, 301 – 306 (2005).

P8. M. Sliwinska-Bartkowiak, F. R. Hung, E. E. Santiso, B. Coasne, K. E. Gubbins, F. R. Siperstein, Effect of confinement on freezing in cylindrical pores, Adsorption 11, 391 – 396 (2005).

P7. B. Coasne, K. E. Gubbins, R. J. M. Pellenq, Temperature effect on adsorp-tion/desorption isotherms for a simple fluid confined within various nanopores, Ad-sorption 11, 289 – 294 (2005).

P6. B. Coasne, J. Czwartos, K. E. Gubbins, F. R. Hung, M. Sliwinska-Bartkowiak, Freezing and Melting of Binary Mixtures Confined in a Nanopore, Mol. Phys. 102, 2149 – 2163 (2004).

P5. B. Coasne, R. J. M. Pellenq, A grand canonical Monte Carlo study of capillary condensation in mesoporous media : Effect of the pore morphology and topology, J. Chem. Phys. 121, 3767 – 3774 (2004).

P4. B. Coasne, K. E. Gubbins, R. J. M. Pellenq, A Grand Canonical Monte Carlo Study of Adsorption and Capillary Phenomena in Nanopores of Various Morpholo-gies and Topologies : Testing the BET and BJH Characterization Methods (Invited paper), Part. Part. Syst. Char. 21, 149 – 160 (2004).

P3. B. Coasne, R. J. M. Pellenq, Grand canonical Monte Carlo simulation of argon adsorption at the surface of silica nanopores : Effect of pore size, pore morphology and surface roughness, J. Chem. Phys. 120, 2913 – 2922 (2004).

P2. B. Coasne, A. Grosman, C. Ortega, M. Simon, Adsorption in non-interconnected pores open at one or at both ends : a reconsideration of the hysteresis phenomenon, Phys. Rev. Lett. 88, 25602 (2002).

P1. B. Coasne, A. Grosman, N. Dupont-Pavlovsky, C. Ortega, M. Simon, Adsorp-tion in an ordered and non-interconnected mesoporous material : Single crystal porous silicon, Phys. Chem. Chem. Phys. 3, 1196 – 1200 (2001).


Collaborations

  • Pr. John Fourkas, “Adsorption and vibrational dynamics of nanoconfined liquids”, University of Maryland, MD, USA
  • Dr. David Farrusseng, “Gas oversolubility in nanoconfined solvents”, Institut de Recherches sur la Catalyse et l’Environnement de Lyon (IRCELYON), Lyon, France
  • Dr. Sylvain Topin, Dr. Jean-Pierre Fontaine, “Porous adsorbents for the detection of Xe isotopes : application to the detection of banned nuclear tests”, CEA - Bruyères le Chatel.
  • Dr. Anne Galarneau, Dr. Francois Fajula, “Adsorption and dynamics in hierarchical porous materials”, Institut Charles Gerhardt Montpellier, Montpellier, France

Fellowships and Awards

  • 2012 – 2014 MIT Visiting Associate Professor, Massachusetts Institute of Technology, Cambridge, MA, USA
  • 2010 – 2014 Awarded the Scientific Excellence Prime, CNRS and French Minister for Research and Education, France.
  • 2011 Award “Chercheur d’Avenir” in Languedoc Roussillon, France.