Workshop on Adsorption in Compliant Solids

June 5—7 2013, Paris

Workshop presentation

The phenomenon of adsorption-induced deformation is well documented in the literature for a wide variety of materials: microporous solids (carbons, zeolites, metal–organic frameworks), mesoporous solids, and gels. These materials find numerous applications as selective adsorbents, catalysts, and substrates for biosensors and drug delivery. The specific features of adsorption deformation, which depend strongly on the chemical nature and physical properties of the solid, are crucial to understanding and enhancing the material mechanical stability and integrity in the course of contraction–expansion cycles. A lot of questions have been raised by the recent discovery of a new class of soft porous crystals, which are hybrid organic–inorganic materials, whose framework can undergo different kinds of large-amplitude structural transformations upon guest adsorption, called by adsorption scientists as “gating” and “breathing”.

At the present time, due to a large variety of compliant solids and very different magnitudes of adsorption deformation, there is no single theoretical framework available for the description of these phenomena. Moreover, adsorption deformation is a phenomenon that spawns many communities, with scientists working on different classes of materials and having few opportunities to collectively discuss and improve the methods and tools available today. The aim of this workshop is to initiate such a discussion, to outline the on-going theoretical and methodological developments in the field, and to shed some light onto the topical problems for the future.

Topics covered

We want to put emphasis on the development of new general theoretical frameworks, simulation algorithms and methodologies, as well as their applications to complex systems and the improvement of links between experimentalists, theoreticians, and computer scientists. We expect contributions addressing any of the following issues:

Workshop organized
under the auspices of CNRS