@article {183,
	title = {Mechanism of H2O Insertion and Chemical Bond Formation in AlPO 4-54{\textperiodcentered}x H2O at High Pressure},
	journal = {Journal of the American Chemical Society},
	volume = {137},
	year = {2015},
	month = {Jan-21-2015},
	pages = {584 - 587},
	abstract = {<p>The insertion of H2O in AlPO4-54\&bull;xH2O at high pressure was investigated by single-crystal x-ray diffraction and Monte Carlo molecular simulation. H2O molecules are concentrated, in particular near the pore walls. Upon insertion, the additional water is highly disordered. Insertion of H2O (superhydration) is found to impede pore collapse in the material, thereby strongly modifying its mechanical behavior. However, instead of stabilizing the structure with respect to amorphization, the results provide evidence for the early stages of chemical bond formation between H2O molecules and tetrahedrally coordinated aluminum, which is at the origin of the amorphization/reaction process.</p>
},
	issn = {0002-7863},
	doi = {10.1021/ja511153n},
	author = {Alabarse, Frederico G. and Rouquette, J{\'e}r{\^o}me and Benoit A. Coasne and Haidoux, Abel and Paulmann, Carsten and Cambon, Olivier and Haines, Julien}
}
@article {649,
	title = {Poroelastic Theory Applied to the Adsorption-Induced Deformation of Vitreous Silica},
	journal = {The Journal of Physical Chemistry B},
	volume = {118},
	year = {2014},
	month = {Dec-11-2014},
	pages = {14519 - 14525},
	abstract = {<p>When vitreous silica is submitted to high pressures under a helium atmosphere, the change in volume observed is much smaller than expected from its elastic properties. It results from helium penetration into the interstitial free volume of the glass network. We present here the results of concurrent spectroscopic experiments using either helium or neon and molecular simulations relating the amount of gas adsorbed to the strain of the network. We show that a generalized poromechanical approach, describing the elastic properties of microporous materials upon adsorption, can be applied successfully to silica glass in which the free volume exists only at the subnanometer scale. In that picture, the adsorption-induced deformation accounts for the small apparent compressibility of silica observed in experiments.</p>
},
	issn = {1520-6106},
	doi = {10.1021/jp5094383},
	url = {http://pubs.acs.org/doi/10.1021/jp5094383},
	author = {Benoit A. Coasne and Weigel, Coralie and Polian, Alain and Kint, Mathieu and Rouquette, J{\'e}r{\^o}me and Haines, Julien and Foret, Marie and Vacher, Rene and Ruffle, Benoit}
}
