Dr. Pellenq's research interests focus on the thermodynamics and dynamic properties of molecular, ionic and covalent fluids confined in porous materials (zeolites, microporous carbons, mesoporous oxide materials, clay, cement, and others). Using atomistic simulation techniques, he integrates adsorption intermolecular potentials to describe a material's texture at the nano level.
"Determination of the bulk melting temperature of nickel using Monte Carlo simulations: inaccuracy of extrapolation from cluster melting temperatures," J.H. Los, R.J.-M. Pellenq, Physical Review B 81 6 064112 (2010).
"A realistic molecular model of cement hydrates," R.J.-M. Pellenq, A. Kushima, R. Shahsavari, K.J. Van Vliet, M.J. Buehler, S. Yip, F.J. Ulm, Proceedings of the National Academy of Sciences 106 38 16102-16107 (2009).
"First-principles study of elastic constants and interlayer interactions of complex hydrated oxides: case study of Tobermorite and Jennite," R. Shahsavari, M.J. Buehler, R.J.-M. Pellenq, F.J. Ulm, Journal of the American Ceramic Society 92 10 2323-2330 (2009).
"Intrusion and retraction of fluids in nanopores: effect of morphological heterogeneity," B. Coasne, A. Galarneau, F. Di Renzo, R.J-M. Pellenq, Journal of Physical Chemistry C 113 5 1953-1962 (2009).
"Zinc oxide nanostructures confined in porous silicas," B. Coasne, A. Mezy, R.J-M. Pellenq, D. Ravot, J.C. Tedenac, Journal of the American Chemical Society 131 6 2185-2198 (2009).
"Hydrogen storage enhanced in Li-doped carbon replica of zeolites : a possible route to achieve fuel cell demand," T. Roussel, C. Bichara, K.E. Gubbins, R.J.M. Pellenq, Journal of Chemical Physics 130 17 174717 (2009).