Boehmite and Gibbsite Nanoplates for the Synthesis of Advanced Alumina Products.

Boehmite (γ-AlOOH) and gibbsite (α-Al(OH)3) are important archetype (oxy)hydroxides of aluminum in nature that also play diverse roles across a plethora of industrial applications. Developing the ability to understand and predict the properties and characteristics of these materials, on the basis of their natural growth or synthesis pathways, is an important fundamental science enterprise with wide-ranging impacts. The present study describes bulk and surface characteristics of these novel materials in comprehensive detail, using a collectively sophisticated set of experimental capabilities, including a range of conventional laboratory solids analyses and national user facility analyses such as synchrotron X-ray absorption and scattering spectroscopies as well as small-angle neutron scattering. Their thermal stability is investigated using in situ temperature-dependent Raman spectroscopy. These pure and effectively defect-free materials are ideal for synthesis of advanced alumina products.

[1]  S. Kerisit,et al.  Size and Morphology Controlled Synthesis of Boehmite Nanoplates and Crystal Growth Mechanisms , 2018 .

[2]  Alan A. Coelho,et al.  TOPAS and TOPAS-Academic: an optimization program integrating computer algebra and crystallographic objects written in C++ , 2018 .

[3]  S. Clark,et al.  Transitions in Al Coordination during Gibbsite Crystallization Using High-Field 27Al and 23Na MAS NMR Spectroscopy , 2017 .

[4]  B. L. Mehdi,et al.  Fast Synthesis of Gibbsite Nanoplates and Process Optimization using Box-Behnken Experimental Design , 2017 .

[5]  Jared T. Freiburg,et al.  The effects of burial diagenesis on multiscale porosity in the St. Peter Sandstone: An imaging, small-angle, and ultra-small-angle neutron scattering analysis , 2017 .

[6]  Yi Zhang,et al.  In situ Synthesis of γ-AlOOH and synchronous adsorption separation of V(V) from highly concentrated Cr(VI) multiplex complex solutions , 2017 .

[7]  J. Keum,et al.  Quantitative Analysis of the Morphology of {101} and {001} Faceted Anatase TiO2 Nanocrystals and Its Implication on Photocatalytic Activity , 2017 .

[8]  Jia Liu,et al.  Direction-specific van der Waals attraction between rutile TiO2 nanocrystals , 2017, Science.

[9]  B. Bahramian,et al.  Acetylacetonate complexes of vanadium and molybdenum supported on functionalized boehmite nano-particles for the catalytic epoxidation of alkenes , 2017 .

[10]  M. Frigione,et al.  Sunlight-curable boehmite/siloxane-modified methacrylic based nanocomposites as insulating coatings for stone substrates , 2016 .

[11]  C. Montes,et al.  Synthesis and Characterization of Boehmites Obtained from Gibbsite in Presence of Different Environments , 2016 .

[12]  T. Adschiri,et al.  High-Speed Morphology Control of Boehmite Nanoparticles by Supercritical Hydrothermal Treatment with Carboxylic Acids , 2016 .

[13]  K. Page,et al.  DShaper: an approach for handling missing low‐Q data in pair distribution function analysis of nanostructured systems , 2015 .

[14]  J. Bao,et al.  Two-dimensional porous γ-AlOOH and γ-Al2O3 nanosheets: hydrothermal synthesis, formation mechanism and catalytic performance , 2015 .

[15]  P. Chater,et al.  Fast synthesis and refinement of the atomic pair distribution function , 2015 .

[16]  F. Goetz-Neunhoeffer,et al.  A generalized geometric approach to anisotropic peak broadening due to domain morphology , 2015 .

[17]  Vânia T. Freitas,et al.  Efficient and tuneable photoluminescent boehmite hybrid nanoplates lacking metal activator centres for single-phase white LEDs , 2014, Nature Communications.

[18]  Peng Qing,et al.  The vanadate adsorption on a mesoporous boehmite and its cleaner production application of chromate , 2014 .

[19]  A. Pires,et al.  Preparation and characterization of crosslinked PVAL membranes loaded with boehmite nanoparticles for fuel cell applications , 2014 .

[20]  A. Rennie,et al.  A holder to rotate sample cells to avoid sedimentation in small-angle neutron scattering and ultra small-angle neutron scattering experiments , 2013 .

[21]  Yao Wang,et al.  Fast synthesis and size control of gibbsite nanoplatelets, their pseudomorphic dehydroxylation, and efficient dye adsorption. , 2013, ACS applied materials & interfaces.

[22]  Z. Zuo,et al.  Theoretical studies on the reaction mechanisms of AlOOH- and γ-Al2O3-catalysed methanol dehydration in the gas and liquid phases , 2011 .

[23]  Tjerk P. Straatsma,et al.  NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations , 2010, Comput. Phys. Commun..

[24]  M. Jaroniec,et al.  Facile Hydrothermal Synthesis of Hierarchical Boehmite: Sulfate-Mediated Transformation from Nanoflakes to Hollow Microspheres , 2010 .

[25]  Q. Ji,et al.  Thermal stability and flame-retardancy mechanism of poly(ethylene terephthalate)/boehmite nanocomposites , 2010 .

[26]  J. Rehr,et al.  Parameter-free calculations of X-ray spectra with FEFF9. , 2010, Physical chemistry chemical physics : PCCP.

[27]  W. Li,et al.  Synthesis of Nickel Nanoparticles Supported on Boehmite for Selective Hydrogenation of p-Nitrophenol and p-Chloronitrobenzene , 2010 .

[28]  W. Hamilton,et al.  A new approach to quantification of metamorphism using ultra-small and small angle neutron scattering. , 2009 .

[29]  A. P. Sorini,et al.  Ab initio theory and calculations of X-ray spectra , 2009 .

[30]  Pete R. Jemian,et al.  Irena: tool suite for modeling and analysis of small‐angle scattering , 2009 .

[31]  F. Granados-Correa,et al.  Chromium (VI) adsorption on boehmite. , 2009, Journal of hazardous materials.

[32]  Simon J L Billinge,et al.  Relationship between the atomic pair distribution function and small-angle scattering: implications for modeling of nanoparticles. , 2008, Acta crystallographica. Section A, Foundations of crystallography.

[33]  Tao Zhang,et al.  Synthesis, characterization and catalytic applications of mesoporous γ-alumina from boehmite sol , 2008 .

[34]  X. Bao,et al.  Synthesis and characterization of gibbsite nanostructures , 2008 .

[35]  S J L Billinge,et al.  PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals , 2007, Journal of physics. Condensed matter : an Institute of Physics journal.

[36]  Steven R. Kline,et al.  Reduction and analysis of SANS and USANS data using IGOR Pro , 2006 .

[37]  Stefan Grimme,et al.  Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction , 2006, J. Comput. Chem..

[38]  B. Wood,et al.  XPS study of the major minerals in bauxite: gibbsite, bayerite and (pseudo-)boehmite. , 2006, Journal of colloid and interface science.

[39]  B. Hammouda,et al.  A refractive focusing lens system for small-angle neutron scattering , 2005 .

[40]  M. Agamalian,et al.  Design and performance of a thermal-neutron double-crystal diffractometer for USANS at NIST , 2005 .

[41]  S. Trasatti,et al.  γ-Alumina as a Support for Catalysts: A Review of Fundamental Aspects , 2005 .

[42]  M Newville,et al.  ATHENA, ARTEMIS, HEPHAESTUS: data analysis for X-ray absorption spectroscopy using IFEFFIT. , 2005, Journal of synchrotron radiation.

[43]  Simon J. L. Billinge,et al.  PDFgetX2: a GUI-driven program to obtain the pair distribution function from X-ray powder diffraction data , 2004 .

[44]  J. Hanson,et al.  Rapid acquisition pair distribution function (RA-PDF) analysis. , 2003, cond-mat/0304638.

[45]  R. Frost,et al.  Thermal decomposition of bauxite minerals: infrared emission spectroscopy of gibbsite, boehmite and diaspore , 2002 .

[46]  R. Frost,et al.  Comparison of Raman spectra in characterizing gibbsite, bayerite, diaspore and boehmite , 2001 .

[47]  X. Bokhimi,et al.  Relationship between Crystallite Size and Bond Lengths in Boehmite , 2001 .

[48]  M Newville,et al.  IFEFFIT: interactive XAFS analysis and FEFF fitting. , 2001, Journal of synchrotron radiation.

[49]  F. Regnier,et al.  Detoxification of endotoxin by aluminum hydroxide adjuvant. , 2001, Vaccine.

[50]  M. Ulanova,et al.  The Common Vaccine Adjuvant Aluminum Hydroxide Up-Regulates Accessory Properties of Human Monocytes via an Interleukin-4-Dependent Mechanism , 2001, Infection and Immunity.

[51]  J. Rehr,et al.  Theoretical approaches to x-ray absorption fine structure , 2000 .

[52]  A. Burneau,et al.  Relation between the Infrared Spectra and the Lateral Specific Surface Areas of Gibbsite Samples , 2000 .

[53]  C. Johnston,et al.  Assignment of the structural OH stretching bands of gibbsite , 2000 .

[54]  J. Sieler,et al.  Structure of sodium para-hydroxybenzoate, NaO2C-C6H4OH by powder diffraction: application of a phenomenological model of anisotropic peak width , 1999 .

[55]  R. Frost,et al.  Dehydroxylation of Aluminum (Oxo)Hydroxides Using Infrared Emission Spectroscopy. Part II: Boehmite , 1999 .

[56]  R. Frost,et al.  Vibrational Spectroscopy and Dehydroxylation of Aluminum (Oxo)Hydroxides: Gibbsite , 1999 .

[57]  Peter W. Stephens,et al.  Phenomenological model of anisotropic peak broadening in powder diffraction , 1999 .

[58]  William J. Orts,et al.  The 30 m Small-Angle Neutron Scattering Instruments at the National Institute of Standards and Technology , 1998 .

[59]  A. Flank,et al.  Aluminium X-ray absorption Near Edge Structure in model compounds and Earth’s surface minerals , 1998 .

[60]  Burke,et al.  Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.

[61]  Kari Laasonen,et al.  ‘‘Ab initio’’ liquid water , 1993 .

[62]  Parrinello,et al.  Adiabaticity in first-principles molecular dynamics. , 1992, Physical review. B, Condensed matter.

[63]  Hamann.  Generalized norm-conserving pseudopotentials. , 1989, Physical review. B, Condensed matter.

[64]  Car,et al.  Unified approach for molecular dynamics and density-functional theory. , 1985, Physical review letters.

[65]  Leonard Kleinman,et al.  Efficacious Form for Model Pseudopotentials , 1982 .

[66]  D. A. Hofmann,et al.  Crystal Chemistry of Boehmite , 1980 .

[67]  H. Megaw.  The Crystal Structure of Hydrargillite, Αl(OH)3. , 1934 .

[68]  Ryan P. Murphy,et al.  Dynamic infrared sample controlled (DISCO) temperature for the tumbler cells for ultra small angle neutron scattering (USANS) , 2017 .

[69]  David R. Cole,et al.  Characterization and Analysis of Porosity and Pore Structures , 2015 .

[70]  R. Orlando,et al.  Ab initio quantum mechanical study of γ-AlOOH boehmite: structure and vibrational spectrum , 2009 .

[71]  M. Thorpe,et al.  Local atomic structure of semiconductor alloys using pair distribution functions , 1997 .

[72]  A. P. Hammersley,et al.  Two-dimensional detector software: From real detector to idealised image or two-theta scan , 1996 .