Blanc SIMI 10 - Blanc - SIMI 10 - Nanosciences

MOFs as nanoDampers or nanoSprings : an exploration of the thermodynamic and mechanical properties of Metal Organic Frameworks – MODS

MOFs as nano-shock absorbers or nano-springs : an exploration of the thermodynamic and mechanical properties of Metal-Organic Framework type materials

Metal Organic Frameworks (MOF), are a family of organized inorganic-organic porous materials which have generated a large interest in the scientific community. Whilst many properties of these materials have been largely studied, their basic mechanical properties has received little attention. However, as several MOF structures are highly flexible, we think that such solids can be used as shock-absorbers or springs.

Towards ‘energetically reversible’ mechanical energy storage

From a fundamental point of view, the development of experimental methods for the determination of various phase diagrams pressure / temperature, determining the structure of different forms and extraction of the transition energy between forms open / closed will (i) help understand the behavior of materials in operating conditions in different types of application and (ii) to verify the validity of predictions from molecular simulations.<br />In view of applications, the findings from this project should lead to breakthroughs in the field of «energy storage« exploring the field of mechanical processes that have not been provided for this class of materials.

This interdisciplinary project which includes materials synthesis, characterization of interesting properties and modeling is a challenge that will be met by a subtle combination of powerful experimental tools and innovative molecular simulation approaches, and should bring a real opening in this field. This will also bring to light microscopic mechanisms involved during the phase transition induced by thermal or mechanical stimuli.
1) To study the thermodynamic and mechanical properties of a selection of flexible MOFs to establish i) phase diagram of pore volume as a function of pressure and temperature, ii) the transition energies between the different phases and iii ) to characterize the structural behavior under conditions ranging up to high temperatures and moderate pressure to compare with the theoretical calculations.
2) Assess the possibility of using these materials for mechanical energy storage, such as shock absorbers or springs.

Whilst a number of groups have evaluated the work (W=p.dV) related to such phenomena, we are the FIRST to have drectly measured the heat involved (Q). We can thus calculate for the first time the whole thermodynamic cycle with the internal energy (U) : U = Q + W

Metal–organic frameworks as potential shock absorbers: the case of the highly flexible MIL-53(Al), P.G. Yot, Z. Boudene, J. Macia, D. Granier, L. Vanduyfhuys, T. Verstraelen, V. Van Speybroeck, T. Devic, C. Serre, G. Férey, N. Stock, G. Maurin, Chem. Commun., 2014, 50, 9462-9464.
Guest-modulation of the mechanical properties of flexible porous metal–organic frameworks, Q. Ma, Q. Yang, A. Ghoufi, K. Yang, M. Lei, G. Férey, C. Zhong, G. Maurin, J. Mater. Chem. A 2014, 2, 9691-9698.
Characterisation of MOF materials by thermomechanical methods, I. Beurroies, R. Denoyel, B. Kuchta, P. Llewellyn, C. Serre, Proceedings of the Fifth Biot Conference on Poromechanics, Edited by C. Hellmich, B. Pichler and D. Adam, American Society of Civil Engineers, 2013, pp641-647.

Metal-Organic Frameworks (MOFs) form a family of porous inorganic-organic ordered hybrid materials which have generated huge interest in the scientific community. Whilst sorption, magnetic, catalytic and drug delivery properties have been largely documented, the basic mechanical properties of these materials have not received as much interest. However, the fact that several structures are highly flexible may be of interest to exploit as dampers or springs as an alternative to previous work carried out on hydrophobic silica based materials. The advantage of MOFs being that the almost infinite possibility to modulate the structure and chemical/physical properties of these materials means that the mechanical properties can equally be tuned. The aim therefore of this fundamental project is twofold :
1) To study the thermodynamic and mechanical properties of selected flexible MOFs in view of (i) establishing pore volume phase diagrams as a function of pressure and temperature, (ii) determining the transition energies between the various phases and (iii) characterizing the structural behaviour under operating conditions up to high temperature and moderate pressure, to compare with theoretical calculations;
2) To evaluate the possibility of using these materials for mechanical storage of energy as dampers or springs.
This challenging interdisciplinary project that involves the synthesis of materials, the characterization of the properties of interest and modelling, will be conducted by a subtle combination of innovative experimental tools and advanced molecular simulation approaches, which is expected to yield breakthrough in this domain. It will also bring microscopic insight into the mechanism in play during the phase transition under thermal and mechanical stimuli.

Project coordination

Isabelle Beurroies (Centre National de la Recherche Scientifique Délégation Provence et Corse _ Laboratoire Chimie Provence) – isabelle.beurroies@univ-amu.fr

The author of this summary is the project coordinator, who is responsible for the content of this summary. The ANR declines any responsibility as for its contents.

Partner

ICGM Institut Charles Gerhardt Montpellier
ILV Institut Lavoisier Versailles
CNRS DR12 _ MADIREL Centre National de la Recherche Scientifique Délégation Provence et Corse _ Laboratoire Chimie Provence

Help of the ANR 497,120 euros
Beginning and duration of the scientific project: December 2012 - 48 Months

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