The Future of Glycerol, Chem. Soc. Rev, vol.375, issue.10, p.13, 2007. ,
Polyol Conversion by Liquid Phase Heterogeneous Catalysis Over Metals, Surf. Sci. Catal, vol.41, p.165, 1988. ,
DOI : 10.1016/S0167-2991(09)60811-9
Deactivation of supported copper based catalysts during polyol conversion in aqueous phase, Applied Catalysis A: General, vol.121, issue.2, p.231, 1995. ,
DOI : 10.1016/0926-860X(94)00205-3
Highly Dispersed Silica-Supported Copper Nanoparticles Prepared by Precipitation???Gel Method: A Simple but Efficient and Stable Catalyst for Glycerol Hydrogenolysis, Chemistry of Materials, vol.20, issue.15, p.5090, 2008. ,
DOI : 10.1021/cm8006233
Supported Cu catalysts for the selective hydrogenolysis of glycerol to propanediols, Applied Catalysis A: General, vol.367, issue.1-2, p.93, 2009. ,
DOI : 10.1016/j.apcata.2009.07.040
Biodiesel derived glycerol hydrogenolysis to 1,2-propanediol on Cu/MgO catalysts, Bioresource Technology, vol.101, issue.18, p.7088, 2010. ,
DOI : 10.1016/j.biortech.2010.04.016
Hydrogenolysis of glycerol over homogenously dispersed copper on solid base catalysts, Applied Catalysis B: Environmental, vol.101, issue.3-4, p.431, 2011. ,
DOI : 10.1016/j.apcatb.2010.10.013
Template Preparation of Highly Active and Selective Cu???Cr Catalysts with High Surface Area for Glycerol Hydrogenolysis, Catalysis Letters, vol.27, issue.95, p.169, 2009. ,
DOI : 10.1007/s10562-009-9844-y
Role of promoters in copper chromite catalysts for hydrogenolysis of glycerol, Catalysis Today, vol.164, issue.1, p.447, 2010. ,
DOI : 10.1016/j.cattod.2010.10.032
Selective Hydrogenolysis of Glycerol to 1, 2 Propanediol Over Cu???ZnO Catalysts, Catalysis Letters, vol.281, issue.1-2, p.119, 2008. ,
DOI : 10.1007/s10562-008-9590-6
Continuous production of 1,2-propanediol by the selective hydrogenolysis of solvent-free glycerol under mild conditions, Journal of Chemical Technology & Biotechnology, vol.216, issue.12, p.1670, 2008. ,
DOI : 10.1002/jctb.1982
Kinetics of Hydrogenolysis of Glycerol to Propylene Glycol over Cu-ZnO-Al2O3 Catalysts, Chinese Journal of Chemical Engineering, vol.18, issue.3, p.384, 2010. ,
DOI : 10.1016/S1004-9541(10)60235-2
Gas phase hydrogenolysis of glycerol catalyzed by Cu/ZnO/MOx (MOx=Al2O3, TiO2, and ZrO2) catalysts, Chemical Engineering Journal, vol.168, issue.1, p.403, 2011. ,
DOI : 10.1016/j.cej.2011.01.049
Aqueous polyol conversions on ruthenium and on sulfur-modified ruthenium, Journal of Molecular Catalysis, vol.70, issue.1, p.99, 1991. ,
DOI : 10.1016/0304-5102(91)85008-P
Ni/NaX: A Bifunctional Efficient Catalyst for Selective Hydrogenolysis of Glycerol, Catalysis Letters, vol.83, issue.1-2, p.184, 2010. ,
DOI : 10.1007/s10562-009-0208-4
Aqueous hydrogenolysis of glycerol over Ni???Ce/AC catalyst: Promoting effect of Ce on catalytic performance, Applied Catalysis A: General, vol.383, issue.1-2, p.73, 2010. ,
DOI : 10.1016/j.apcata.2010.05.023
Synthesis of CoNi nanowires by heterogeneous nucleation in polyol, Materials Letters, vol.64, issue.11, p.1271, 2010. ,
DOI : 10.1016/j.matlet.2010.03.006
Effect of sulfur and temperature on ruthenium-catalyzed glycerol hydrogenolysis to glycols, Journal of Catalysis, vol.232, issue.2, p.386, 2005. ,
DOI : 10.1016/j.jcat.2005.03.015
Influence of solid acids as co-catalysts on glycerol hydrogenolysis to propylene glycol over Ru/C catalysts, Applied Catalysis A: General, vol.354, issue.1-2, p.82, 2009. ,
DOI : 10.1016/j.apcata.2008.11.010
Hydrogenolysis of glycerol over carbon-supported Ru and Pt catalysts, Journal of Catalysis, vol.249, issue.2, p.328, 2007. ,
DOI : 10.1016/j.jcat.2007.05.008
Hydrogenolysis of Glycerol to Propanediol Over Ru: Polyoxometalate Bifunctional Catalyst, Catalysis Letters, vol.30, issue.3-4, p.307, 2008. ,
DOI : 10.1007/s10562-007-9286-3
Hydrogenolysis of glycerol to glycols over ruthenium catalysts: Effect of support and catalyst reduction temperature, Catalysis Communications, vol.9, issue.6, p.1458, 2008. ,
DOI : 10.1016/j.catcom.2007.12.011
Surface and structural properties of titania-supported Ru catalysts for hydrogenolysis of glycerol, Applied Catalysis A: General, vol.384, issue.1-2, p.107, 2010. ,
DOI : 10.1016/j.apcata.2010.06.013
Polyol conversions into furanic derivatives on bimetallic catalysts: Cu???Ru, Cu???Pt and Ru???Cu, Journal of Molecular Catalysis, vol.70, issue.1, p.65, 1991. ,
DOI : 10.1016/0304-5102(91)85006-N
Hydrogenolysis of Glycerol to Propanediols Over Highly Active Ru???Re Bimetallic Catalysts, Topics in Catalysis, vol.167, issue.1???2, p.834, 2009. ,
DOI : 10.1007/s11244-009-9231-3
Aqueous phase hydrogenolysis of glycerol to 1,2-propanediol without external hydrogen addition, Catalysis Today, vol.156, issue.1-2, p.31, 2010. ,
DOI : 10.1016/j.cattod.2010.01.007
Towards understanding the bifunctional hydrodeoxygenation and aqueous phase reforming of glycerol, Journal of Catalysis, vol.269, issue.2, p.411, 2010. ,
DOI : 10.1016/j.jcat.2009.11.027
Role of promoters in copper chromite catalysts for hydrogenolysis of glycerol, Catalysis Today, vol.164, issue.1, p.447, 2011. ,
DOI : 10.1016/j.cattod.2010.10.032
An overview of aqueous-phase catalytic processes for production of hydrogen and alkanes in a biorefinery, Catalysis Today, vol.111, issue.1-2, p.119, 2006. ,
DOI : 10.1016/j.cattod.2005.10.010
Hydrothermal catalytic conversion of biomass for lactic acid production, Journal of Chemical Technology & Biotechnology, vol.33, issue.3, p.383, 2008. ,
DOI : 10.1002/jctb.1797
Preparation of lactic acid from glucose in ionic liquid solvent system, Journal of Central South University of Technology, vol.35, issue.1, p.45, 2010. ,
DOI : 10.1007/s11771-010-0009-3
Conversion of Sugars to Lactic Acid Derivatives Using Heterogeneous Zeotype Catalysts, Science, vol.328, issue.5978, p.602, 2010. ,
DOI : 10.1126/science.1183990
Zeolite H-USY for the production of lactic acid and methyl lactate from C3-sugars, Journal of Catalysis, vol.269, issue.1, p.122, 2009. ,
DOI : 10.1016/j.jcat.2009.10.023
Electrolysis of glycerol in subcritical water, Journal of Renewable and Sustainable Energy, vol.1, issue.3, p.33112, 2009. ,
DOI : 10.1063/1.3156006
Efficient Synthesis of Lactic Acid by Aerobic Oxidation of Glycerol on Au-Pt/TiO2 Catalysts, Chemistry - A European Journal, vol.215, issue.103, p.7368, 2010. ,
DOI : 10.1002/chem.201000740
Computational Analysis of the Potential Energy Surfaces of Glycerol in the Gas and Aqueous Phases:?? Effects of Level of Theory, Basis Set, and Solvation on Strongly Intramolecularly Hydrogen-Bonded Systems, Journal of the American Chemical Society, vol.123, issue.47, p.11743, 2001. ,
DOI : 10.1021/ja011785r
Hydrogen Bonding and the Cryoprotective Properties of Glycerol/Water Mixtures, The Journal of Physical Chemistry B, vol.110, issue.27, p.13670, 2006. ,
DOI : 10.1021/jp0618680
On Achieving Experimental Accuracy from Molecular Dynamics Simulations of Flexible Molecules:?? Aqueous Glycerol, The Journal of Physical Chemistry A, vol.112, issue.12, p.2634, 2008. ,
DOI : 10.1021/jp710544s
A first principles study of methanol decomposition on Pd(111): Mechanisms for O???H bond scission and C???O bond scission, The Journal of Chemical Physics, vol.115, issue.15, p.7182, 2001. ,
DOI : 10.1063/1.1405157
A Periodic Density Functional Theory Study of the Dehydrogenation of Methanol over Pt(111), The Journal of Physical Chemistry B, vol.106, issue.10, p.2559, 2002. ,
DOI : 10.1021/jp0132984
A First-Principles Study of Methanol Decomposition on Pt(111), Journal of the American Chemical Society, vol.124, issue.24, p.7193, 2002. ,
DOI : 10.1021/ja017818k
Competitive Paths for Methanol Decomposition on Pt(111), Journal of the American Chemical Society, vol.126, issue.12, p.3910, 2004. ,
DOI : 10.1021/ja037700z
Mechanisms of Methanol Decomposition on Platinum:?? A Combined Experimental and ab Initio Approach, The Journal of Physical Chemistry B, vol.109, issue.23, p.11622, 2005. ,
DOI : 10.1021/jp0501188
Kinetic Mechanism of Methanol Decomposition on Ni(111) Surface:?? A Theoretical Study, The Journal of Physical Chemistry B, vol.109, issue.25, p.12431, 2005. ,
DOI : 10.1021/jp0463969
DFT studies of methanol decomposition on Ni(100) surface: Compared with Ni(111) surface, Journal of Molecular Catalysis A: Chemical, vol.258, issue.1-2, p.203, 2006. ,
DOI : 10.1016/j.molcata.2006.04.013
First Principle Study of Ethanol Adsorption and Formation of Hydrogen Bond on Rh(111) Surface, The Journal of Physical Chemistry C, vol.111, issue.20, p.7403, 2007. ,
DOI : 10.1021/jp0686184
Mechanism of Ethanol Synthesis from Syngas on Rh(111), Journal of the American Chemical Society, vol.131, issue.36, p.13054, 2009. ,
DOI : 10.1021/ja903013x
DFT studies for cleavage of C$z.sbnd;C and C$z.sbnd;O bonds in surface species derived from ethanol on Pt(111), Journal of Catalysis, vol.218, issue.1, p.178, 2003. ,
DOI : 10.1016/S0021-9517(03)00090-3
Mechanism of Ethanol Reforming: Theoretical Foundations, The Journal of Physical Chemistry C, vol.113, issue.16, p.6681, 2009. ,
DOI : 10.1021/jp810307h
Comprehensive Mechanism and Structure-Sensitivity of Ethanol Oxidation on Platinum: New Transition-State Searching Method for Resolving the Complex Reaction Network, Journal of the American Chemical Society, vol.130, issue.33, p.10996, 2008. ,
DOI : 10.1021/ja801648h
Density Functional Study of Ethanol Decomposition on Rh(111), The Journal of Physical Chemistry C, vol.114, issue.49, p.21493, 2010. ,
DOI : 10.1021/jp106856n
Reactivity of the Gold/Water Interface During Selective Oxidation Catalysis, Science, vol.330, issue.6000, p.74, 2010. ,
DOI : 10.1126/science.1195055
Reaction Paths in the Hydrogenolysis of Acetic Acid to Ethanol over Pd(111), Re(0001), and PdRe Alloys, Journal of Catalysis, vol.209, issue.2, p.289, 2002. ,
DOI : 10.1006/jcat.2002.3585
Differentiation of O???H and C???H Bond Scission Mechanisms of Ethylene Glycol on Pt and Ni/Pt Using Theory and Isotopic Labeling Experiments, Journal of the American Chemical Society, vol.133, issue.20, p.7996, 2011. ,
DOI : 10.1021/ja201801t
Universality in Heterogeneous Catalysis, Journal of Catalysis, vol.209, issue.2, p.275, 2002. ,
DOI : 10.1006/jcat.2002.3615
Modeling Ethanol Decomposition on Transition Metals: A Combined Application of Scaling and Br??nsted???Evans???Polanyi Relations, Journal of the American Chemical Society, vol.131, issue.16, p.5809, 2009. ,
DOI : 10.1021/ja8099322
Titelbild: Fast Prediction of Selectivity in Heterogeneous Catalysis from Extended Br??nsted-Evans-Polanyi Relations: A Theoretical Insight (Angew. Chem. 47/2009), Angewandte Chemie, vol.121, issue.47, p.8955, 2009. ,
DOI : 10.1002/ange.200905266
Accurate and simple analytic representation of the electron-gas correlation energy, Physical Review B, vol.45, issue.23, p.13244, 1992. ,
DOI : 10.1103/PhysRevB.45.13244
Special points for Brillouin-zone integrations, Physical Review B, vol.13, issue.12, p.5188, 1976. ,
DOI : 10.1103/PhysRevB.13.5188
total-energy calculations: molecular dynamics and conjugate gradients, Reviews of Modern Physics, vol.64, issue.4, p.1045, 1992. ,
DOI : 10.1103/RevModPhys.64.1045
A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives, The Journal of Chemical Physics, vol.111, issue.15, p.7010, 1999. ,
DOI : 10.1063/1.480097
Projector augmented-wave method, Physical Review B, vol.50, issue.24, p.17953, 1994. ,
DOI : 10.1103/PhysRevB.50.17953
From ultrasoft pseudopotentials to the projector augmented-wave method, Physical Review B, vol.59, issue.3, p.1758, 1999. ,
DOI : 10.1103/PhysRevB.59.1758
Theoretical elucidation of the selectivity changes for the hydrogenation of unsaturated aldehydes on Pt(111), Journal of Catalysis, vol.265, issue.1, p.35, 2009. ,
DOI : 10.1016/j.jcat.2009.04.010
URL : https://hal.archives-ouvertes.fr/hal-01116676