@article {638, title = {Breakthrough in Xenon Capture and Purification Using Adsorbent-Supported Silver Nanoparticles}, journal = {Chemistry - A European Journal}, volume = {22}, year = {2016}, month = {Jul-04-2016}, pages = {9660-9666}, abstract = {

Rare gas capture and purification is a major challenge for energy, environment, and health applications. Of utmost importance for the nuclear industry, novel separation processes for Xe are urgently needed for spent nuclear fuel reprocessing and nuclear activity monitoring. The recovered, non-radioactive Xe is also of high economic value for lighting, surgical anesthetic, etc. Here, using adsorption and breakthrough experiments and statistical mechanics molecular simulation, we show the outstanding performance of zeolite-supported silver nanoparticles to capture/separate Xe at low concentrations (0.087-100 ppm). We also establish the efficiency of temperature swing adsorption based on such adsorbents for Xe separation from Kr/Xe mixtures and air streams corresponding to off-gases generated by nuclear reprocessing. This study paves the way for the development of novel, cost-efficient technologies relying on the large selectivity/capacity of adsorbent-supported silver nanoparticles which surpass all materials ever tested.

}, doi = {10.1002/chem.201601351}, url = {http://doi.wiley.com/10.1002/chem.201601351}, author = {Deliere, Ludovic and Benoit A. Coasne and Topin, Sylvain and Gr{\'e}au, Claire and Moulin, Christophe and David Farrusseng} } @article {128, title = {Bottom-up model of adsorption and transport in multiscale porous media.}, journal = {Phys Rev E Stat Nonlin Soft Matter Phys}, volume = {91}, year = {2015}, month = {Mar-20-2015}, pages = {Article Number: 032133 }, abstract = {

We develop a model of transport in multiscale porous media which accounts for adsorption in the different porosity scales. This model employs statistical mechanics to upscale molecular simulation and describe adsorption and transport at larger time and length scales. Using atom-scale simulations, which capture the changes in adsorption and transport with temperature, pressure, pore size, etc., this approach does not assume any adsorption or flow type. Moreover, by relating the local chemical potential \μ(r) and density \ρ(r), the present model accounts for adsorption effects and possible changes in the confined fluid state upon transport. This model constitutes a bottom-up framework of adsorption and transport in multiscale materials as it (1) describes the adsorption-transport interplay, (2) accounts for the hydrodynamics breakdown at the nm scale, and (3) is multiscale.

}, issn = {1550-2376}, doi = {10.1103/PhysRevE.91.032133}, author = {Botan, Alexandru and Franz-Josef Ulm and Roland Jean-Marc Pellenq and Benoit A. Coasne} }