@article {179, title = {Advances in design and modeling of porous materials}, journal = {The European Physical Journal Special Topics}, volume = {224}, year = {2015}, month = {Jul-2015}, pages = {1653 - 1653}, abstract = {

This special issue of the European Physical Journal Special Topics is dedicated to selected papers from the symposium \“High surface area porous and granular materials\” organized in the frame of the conference \“Mat\ériaux 2014\”, held on November 24\–28, 2014 in Montpellier, France.

Porous materials and granular materials gather a wide variety of heterogeneous, isotropic or anisotropic media made of inorganic, organic or hybrid solid skeletons, with open or closed porosity, and pore sizes ranging from the centimeter scale to the sub-nanometer scale. Their technological and industrial applications cover numerous areas from building and civil engineering to microelectronics, including also metallurgy, chemistry, health, waste water and gas effluent treatment. Many emerging processes related to environmental protection and sustainable development also rely on this class of materials. Their functional properties are related to specific transfer mechanisms (matter, heat, radiation, electrical charge), to pore surface chemistry (exchange, adsorption, heterogeneous catalysis) and to retention inside confined volumes (storage, separation, exchange, controlled release). The development of innovative synthesis, shaping, characterization and modeling approaches enables the design of advanced materials with enhanced functional performance. The papers collected in this special issue offer a good overview of the state-of-the-art and science of these complex media.

We would like to thank all the speakers and participants for their contribution to the success of the symposium. We also express our gratitude to the organization committee of \“Mat\´eriaux 2014\”. We finally thank the reviewers and the staff of the European Physical Journal Special Topics who made the publication of this special issue possible.

}, issn = {1951-6355}, doi = {10.1140/epjst/e2015-02487-6}, author = {Ayral, Andre and Calas-Etienne, Sylvie and Benoit A. Coasne and Deratani, Andr{\'e} and Evstratov, Alexis and Anne Galarneau and Grande, Daniel and Hureau, Matthieu and Jobic, Herv{\'e} and Morlay, Catherine and Parmentier, Julien and Prelot, B{\'e}n{\'e}dicte and Rossignol, Sylvie and Simon-Masseron, Ang{\'e}lique and Thibault-Starzyk, Fr{\'e}d{\'e}ric} } @article {646, title = {Les mat{\'e}riaux poreux : un domaine scientifique et technologique pluridisciplinaire au futur radieux}, journal = {Mat{\'e}riaux \& Techniques}, volume = {103}, year = {2015}, month = {2015}, pages = {701}, abstract = {

Porous materials cover a broad multidisciplinary scientific and technological domain. They are used in numerous existing and emerging devices and processes related to key societal issues both in environmental protection and for the benefit of the economy. Our choice was to illustrate advances in porous materials through three specific examples: porous materials engineering in the case of organic mesoporous materials prepared from block polymers, modeling and numerical simulation of adsorption of molecular species at the nanoscale and, finally technological applications as thermal insulators.

}, issn = {0032-6895}, doi = {10.1051/mattech/2015050}, url = {http://www.mattech-journal.org/10.1051/mattech/2015050}, author = {Ayral, Andre and Calas-Etienne, Sylvie and Benoit A. Coasne and Deratani, Andr{\'e} and Grande, Daniel and Quemener, Damien and Rossignol, Sylvie} } @article {181, title = {Predicting Adsorption on Bare and Modified Silica Surfaces}, journal = {The Journal of Physical Chemistry C}, volume = {119}, year = {2015}, month = {Mar-19-2015}, pages = {6009 - 6017}, abstract = {
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We show that Derjaguin\’s theory of adsorption can be used to predict adsorption on bare and modified surfaces using parameters available to simple experiments. Using experiment and molecular simulation of adsorption of various gases on hydroxylated, methylated, and trifluoromethylated silica, this simple parametrization of Derjaguin\’s model allows predicting adsorption on any functionalized surface using a minimum set of parameters such as the heat of vaporization of the adsorbate and the Henry constant of the adsorption isotherm. This general yet simple scheme constitutes a powerful tool as it avoids having to carry out tedious and complex adsorption measurements.

}, issn = {1932-7447}, doi = {10.1021/jp511726a}, author = {L{\'e}pinay, Matthieu and Broussous, Lucile and Licitra, Christophe and Bertin, Fran{\c c}ois and Rouessac, Vincent and Ayral, Andre and Benoit A. Coasne} } @article {174, title = {Probing the microporosity of low-k organosilica films: MP and t-plot methods applied to ellipsometric porosimetry data}, journal = {Microporous and Mesoporous Materials}, volume = {217}, year = {2015}, month = {Nov-15-2015}, pages = {119 - 124}, abstract = {

Ellipsometric porosimetry (EP) experiments are performed to obtain the adsorption isotherms of water, methanol, and toluene on pristine and damaged SiOCH porous materials. The use of gaseous adsorbates with different polarities, sizes, and surface tensions enables us to probe their affinity with such organosilica surfaces. Using reference t-curves obtained from Statistical Mechanics molecular simulations, we discuss the ability of the MicroPore analysis (MP) method to accurately estimate micropore sizes from EP measurements by comparing them with the mean pore sizes obtained using positron annihilation lifetime spectroscopy (PALS) and grazing incidence small angle X-ray scattering (GISAXS). We also report accessible microporous volumes estimated from the t-plot method used with the reference t-curves obtained by means of molecular simulation. We show that EP characterization of microporous films combined with the MP and t-plot methods can be improved by taking into account the effect of the chemical nature of the pore surface on the variation of the adsorbed thickness (t-curve).

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}, issn = {13871811}, doi = {10.1016/j.micromeso.2015.05.050}, author = {L{\'e}pinay, Matthieu and Broussous, Lucile and Licitra, Christophe and Bertin, Fran{\c c}ois and Rouessac, Vincent and Ayral, Andre and Benoit A. Coasne} } @article {89, title = {Effect of Gas Adsorption on Acoustic Wave Propagation in MFI Zeolite Membrane Materials: Experiment and Molecular Simulation}, journal = {Langmuir}, volume = {30}, year = {2014}, month = {Aug-04-2014}, pages = {10336-10343}, type = {Article}, abstract = {
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The present study reports on the development of a characterization method of porous membrane materials which consists of considering their acoustic properties upon gas adsorption. Using acoustic microscopy experiments and atomistic molecular simulations for helium adsorbed in a silicalite-1 zeolite membrane layer, we showed that acoustic wave propagation could be used, in principle, for controlling the membranes operando. Molecular simulations, which were found to fit experimental data, showed that the compressional modulus of the composite system consisting of silicalite-1 with adsorbed He increases linearly with the He adsorbed amount while its shear modulus remains constant in a large range of applied pressures. These results suggest that the longitudinal and Rayleigh wave velocities (VL and VR) depend on the He adsorbed amount whereas the transverse wave velocity VT remains constant.

}, issn = {0743-7463}, doi = {10.1021/la502182k}, author = {Manga, Etoungh D. and Blasco, Hugues and J. Philippe Da-Costa and Drobek, Martin and Ayral, Andre and Le Clezio, Emmanuel and Despaux, Gilles and Benoit A. Coasne and Julbe, Anne} }