Competitive adsorption of phenol and toluene onto silica-supported transition metal clusters for biofuel purification
暂无分享,去创建一个
[1] S. Lebègue,et al. Interaction between transition metals (Co, Ni, and Cu) systems and amorphous silica surfaces: A DFT investigation , 2020 .
[2] S. Lebègue,et al. Biofuel purification: Coupling experimental and theoretical investigations for efficient separation of phenol from aromatics by zeolites , 2020, Chemical Engineering Journal.
[3] S. Lebègue,et al. Assessing the Potential of Amorphous Silica Surfaces for the Removal of Phenol from Biofuel: A Density Functional Theory Investigation , 2020 .
[4] S. Lebègue,et al. Grafting of iron on amorphous silica surfaces from ab initio calculations. , 2020, The Journal of chemical physics.
[5] M. Boronat,et al. Hydrogenation of substituted nitroaromatics on non-noble metal catalysts: mechanistic insights to improve selectivity. , 2019, Faraday discussions.
[6] N. Gaston,et al. Ultra stable superatomic structure of doubly magic Ga13 and Ga13Li electrolyte. , 2019, Nanoscale.
[7] S. Lebègue,et al. Ab initio screening of cation-exchanged zeolites for biofuel purification , 2019, Molecular Systems Design & Engineering.
[8] S. Lebègue,et al. Selective Capture of Phenol from Biofuel Using Protonated Faujasite Zeolites with Different Si/Al Ratios , 2018, The Journal of Physical Chemistry C.
[9] Ana Malvis,et al. Extraction of value-added components from food industry based and agro-forest biowastes by deep eutectic solvents. , 2018, Journal of biotechnology.
[10] M. Ziolek,et al. Theoretical and experimental insight into zinc loading on mesoporous silica , 2018 .
[11] B. Goldsmith,et al. Beyond Ordered Materials: Understanding Catalytic Sites on Amorphous Solids , 2017 .
[12] F. Tielens,et al. Hydration in silica based mesoporous materials: a DFT model. , 2016, Physical chemistry chemical physics : PCCP.
[13] J. Johnson,et al. Impact of Support Interactions for Single-Atom Molybdenum Catalysts on Amorphous Silica , 2016 .
[14] F. Tielens,et al. Reduction of chromia–silica catalysts: A molecular picture , 2016 .
[15] R. Grybos,et al. Isolated Chromium(VI) Oxide Species Supported on Al-Modified Silica: A Molecular Description , 2016 .
[16] M. Alouani,et al. Calculated impact of ferromagnetic substrate on the spin crossover in a Fe ( 1 , 10 − phenanthroline ) 2 ( NCS ) 2 molecule , 2016 .
[17] R. Grybos,et al. Characterization of tungsten monomeric oxide species supported on hydroxylated silica; a DFT study , 2016 .
[18] A. Comas‐Vives. Amorphous SiO2 surface models: energetics of the dehydroxylation process, strain, ab initio atomistic thermodynamics and IR spectroscopic signatures. , 2016, Physical chemistry chemical physics : PCCP.
[19] Elsje Alessandra Quadrelli,et al. 25 years of energy and green chemistry: saving, storing, distributing and using energy responsibly , 2016 .
[20] F. Baletto,et al. Structural stability and uniformity of magnetic Pt13 nanoparticles in NaY zeolite. , 2015, Nanoscale.
[21] D. Tománek,et al. Magic numbers in small iron clusters: A first-principles study , 2014 .
[22] Yves Schuurman,et al. Analytical techniques tailored for biomass transformation to biofuels , 2013 .
[23] M. Alouani,et al. Spin crossover in a single Fe(phen)2(NCS)2 molecule adsorbed onto metallic substrates: An ab initio calculation , 2013 .
[24] P. Pietrzyk,et al. Preparation and characterization of SBA-1–supported chromium oxide catalysts for CO2 assisted dehydrogenation of propane , 2012 .
[25] Tiejun Wang,et al. A review of thermal-chemical conversion of lignocellulosic biomass in China. , 2012, Biotechnology advances.
[26] J. Ogonowski,et al. In situ UV-Vis DRS evidence of Cr2+ species oxidation by CO2. , 2012, Chemical communications.
[27] U. Sedran,et al. Fuels from bio-oils: Bio-oil production from different residual sources, characterization and thermal conditioning , 2012 .
[28] F. Ribeiro,et al. N-Heptane cracking over mixtures of HY and HZSM-5 zeolites: Influence of the presence of phenol , 2012 .
[29] S. Lebègue,et al. Periodic projector augmented wave density functional calculations on the hexachlorobenzene crystal and comparison with the experimental multipolar charge density model. , 2011, The journal of physical chemistry. A.
[30] V. Strezov,et al. Properties of oil and char derived from slow pyrolysis of Tetraselmis chui. , 2011, Bioresource technology.
[31] C. Bouvier,et al. Effect of H2S and CO on the transformation of 2-ethylphenol as a model compound of bio-crude over sulfided Mo-based catalysts: propositions of promoted active sites for deoxygenation pathways based on an experimental study , 2011 .
[32] Zhijun Zhang,et al. Catalytic upgrading of bio-oil using 1-octene and 1-butanol over sulfonic acid resin catalysts , 2011 .
[33] G. Joly,et al. Adsorptive Removal of Aromatic Compounds Present in Wastewater by Using Dealuminated Faujasite Zeolite , 2011 .
[34] Zhongyang Luo,et al. Properties of Bio-oil from Fast Pyrolysis of Rice Husk , 2011 .
[35] Young‐Kwon Park,et al. The characteristics of bio-oil produced from the pyrolysis of three marine macroalgae. , 2011, Bioresource technology.
[36] I. M. Atadashi,et al. Biodiesel separation and purification: A review , 2011 .
[37] Jürgen Hafner,et al. Improved description of the structure of molecular and layered crystals: ab initio DFT calculations with van der Waals corrections. , 2010, The journal of physical chemistry. A.
[38] D. M. Alonso,et al. Catalytic conversion of biomass to biofuels , 2010 .
[39] Changwei Hu,et al. The direct pyrolysis and catalytic pyrolysis of Nannochloropsis sp. residue for renewable bio-oils. , 2010, Bioresource technology.
[40] Sihui Zhan,et al. The effects of temperature and catalysts on the pyrolysis of industrial wastes (herb residue). , 2010, Bioresource technology.
[41] S. Borisova,et al. Structure and vibrational properties of cobalt clusters (n ≤ 20) , 2010 .
[42] M. J. Groeneveld,et al. Production of advanced biofuels: Co-processing of upgraded pyrolysis oil in standard refinery units , 2010 .
[43] A. Demirbas,et al. Biorefineries: Current activities and future developments , 2009 .
[44] A. Bell,et al. DFT Studies of the Structure and Vibrational Spectra of Isolated Molybdena Species Supported on Silica , 2009 .
[45] O. Martínez,et al. Pyrolysis of agricultural residues from rape and sunflowers: Production and characterization of bio-fuels and biochar soil management , 2009 .
[46] Vladimir Strezov,et al. Thermal characterisation of microalgae under slow pyrolysis conditions , 2009 .
[47] Başak Burcu Uzun,et al. Rapid and catalytic pyrolysis of corn stalks , 2009 .
[48] Michael Stöcker,et al. Biofuels and biomass-to-liquid fuels in the biorefinery: catalytic conversion of lignocellulosic biomass using porous materials. , 2008, Angewandte Chemie.
[49] Xifeng Zhu,et al. Analysis on chemical and physical properties of bio-oil pyrolyzed from rice husk , 2008 .
[50] Na-na Wang,et al. Bio-oil production from cotton stalk , 2008 .
[51] Francesco Mauri,et al. Ab Initio Study of the Hydroxylated Surface of Amorphous Silica: A Representative Model , 2008 .
[52] Zheng Jilu,et al. Bio-oil from fast pyrolysis of rice husk: Yields and related properties and improvement of the pyrolysis system , 2007 .
[53] Edward Sanville,et al. Improved grid‐based algorithm for Bader charge allocation , 2007, J. Comput. Chem..
[54] Stefan Grimme,et al. Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction , 2006, J. Comput. Chem..
[55] A. Corma,et al. Synthesis of transportation fuels from biomass: chemistry, catalysts, and engineering. , 2006, Chemical reviews.
[56] D. Mohan,et al. Pyrolysis of Wood/Biomass for Bio-oil: A Critical Review , 2006 .
[57] Youcheng Li,et al. First-principles study of the stability and Jahn-Teller distortion of nickel clusters , 2005 .
[58] Changyan Yang,et al. Fast pyrolysis of microalgae to produce renewable fuels , 2004 .
[59] W. Kujawski,et al. Removal of phenol from wastewater by different separation techniques , 2004 .
[60] A. Mookerjee,et al. Structure and stability of copper clusters: A tight-binding molecular dynamics study , 2003, physics/0310144.
[61] W. Peng,et al. Pyrolytic characteristics of microalgae as renewable energy source determined by thermogravimetric analysis. , 2001, Bioresource technology.
[62] Ralph P. Overend,et al. Biomass and renewable fuels , 2001 .
[63] A. Strehler,et al. Technologies of wood combustion , 2000 .
[64] L. T. Zhuravlev. The surface chemistry of amorphous silica. Zhuravlev model , 2000 .
[65] M. Alouani,et al. Implementation of the projector augmented-wave LDA+U method: Application to the electronic structure of NiO , 2000, cond-mat/0003182.
[66] A. Bridgwater,et al. An overview of fast pyrolysis of biomass , 1999 .
[67] A. Lichtenstein,et al. First-principles calculations of electronic structure and spectra of strongly correlated systems: the LDA+U method , 1997 .
[68] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[69] Kresse,et al. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.
[70] L. Mei,et al. Simulation of ground state structure of nickel clusters (n ≤ 40) , 1996 .
[71] Blöchl,et al. Projector augmented-wave method. , 1994, Physical review. B, Condensed matter.
[72] Báder. Principle of stationary action and the definition of a proper open system. , 1994, Physical review. B, Condensed matter.
[73] J. W. Rogers,et al. A reexamination of the chemisorption of trimethylaluminum on silica , 1991 .
[74] L. T. Zhuravlev. Concentration of hydroxyl groups on the surface of amorphous silicas , 1987 .
[75] M. John,et al. Bio-based products from xylan: A review. , 2018, Carbohydrate polymers.
[76] J. Dumesic,et al. Catalytic routes for the conversion of biomass into liquid hydrocarbon transportation fuels , 2011 .
[77] W. Tsai,et al. Fast pyrolysis of rice husk: Product yields and compositions. , 2007, Bioresource technology.