Search results for "ZIRCONIUM"

Micromechanical Approach of the High Temperature Oxidation of Zirconium

1996

On the origin of the halo stabilization

2012

Monte Carlo simulations show that charge-regulation alone can cause highly charged zirconium nanoparticles to adsorb to a similarly charged or neutral silica particle and thereby stabilizing the latter. This mechanism, referred to as halo stabilization, is quite general and applicable in a range of systems provided that pH, van der Waals forces, and dissociation constants of the charge-regulating particles are properly chosen. In our modeling we see an overall attraction at low volume fractions of nanoparticles, while at higher a repulsive barrier is created, stabilizing the microparticles and protecting them from aggregation. The charge-regulation mechanism also turns the silica surface fr…

Heterogeneous zirconocene catalyst on magnesium support MgCl2(THF)2 modified by AlEt2Cl for ethylene polymerisation

2005

Abstract The heterogeneous bis(cyclopentadienyl)zirconium(IV) dichloride catalyst of the composition MgCl2(THF)/(AlEt2Cl)0.34/(Cp2ZrCl2)0.01 as determined by FTIR, XRD, and AAS analyses was synthesised and, after activation by MAO, applied for ethylene polymerisation. The catalyst turned out to be stable and more active than those magnesium supported catalysts already known from the literature. The polyethylene produced has a relatively high molecular weight (Mw > 200,000 g/mol), a narrow and monomodal molecular weight distribution (MWD = 2.4), a bulk density of about 180 g/dm3, and monomodal particle size distribution. Application of a ternary Al(i-Bu)3/MAO/B(C6F5)3 activator decreased the…

Novel group 4b ansa-metallocene complexes with the shortest bridge: [1,1′-isopropylydene-3,3′-di-t.Bu-bis(η5-cyclopentadienyl)] Ti and Zr dichlorides

1997

Abstract Reaction of [1,1′-isopropylidene-3,3′-di-tert.butyl-bis(η5-cyclopentadienide)] dilithium with TiCl3, followed by treatment with HCl, and ZrCl4 in various solvent mixtures in the temperature range 0–50°C gives corresponding ansa-metallocene dichlorides as mixtures of the anti/syn-isomers, 1:1. The crystal and molecular structures of three of the four isomers were determined, i.e. rac(anti)-[1,1′-isopropylidene-3,3′-di-tert.butyl-bis(η5-cyclopentadienyl)]TiCl2, space group B2/b, rac(anti)-[1,1′-isopropylidene-3,3′-di-tert.butyl-bis(η5-cyclopentadienyl)]ZrCl2, space group P212121, and meso(syn)-1,1′-[isopropylidene-3,3′-di-tert.butyl-bis(η5-cyclopentadienyl)]ZrCl2, space group P21/n.

High‐Zirconium‐Content Nano‐Sized Bimodal Mesoporous Silicas

2006

Silica-based nanoparticulated bimodal mesoporous materials with high Zr content (43 ≥ Si/Zr ≥ 4) have been synthesized by a one-pot surfactant-assisted procedure from a hydroalcoholic medium using a cationic surfactant (CTMABr = cetyltrimethylammonium bromide) as structure-directing agent, and starting from molecular atrane complexes of Zr and Si as hydrolytic inorganic precursors. This preparative technique allows optimization of the dispersion of the Zr guest species in the silica walls. The bimodal mesoporous nature of the final high surface area nano-sized materials is confirmed by XRD, TEM, and N2 adsorption–desorption isotherms. The small intraparticle mesopore system (with pore sizes…

Evaluation of shear bond strength of zirconia to composite resin using different adhesive systems

2019

Background To evaluate shear bond strength of zirconia to composite resin using different universal and conventional adhesives and a zirconia primer. Material and methods Forty zirconia blocks were fabricated of zirconium ingots (10×10×5 mm) and sintered at 1530°C for 2 hours. They were then air-abraded with Al2O3 particles. The specimens were divided into 4 groups and subjected to one of the following bonding agents: Futurabond U (group 1), Clearfil Universal Bond, universal adhesives (group 2), Z-Prime Plus, zirconia primer (group 3) and Adper Single Bond 2, conventional adhesive (group 4). Composite resin was then applied in a diameter of 5 mm and in a thickness of 2 mm. All the specimen…

ChemInform Abstract: Enantioselective Synthesis of Tertiary Alcohols Through a Zirconium-Catalyzed Friedel-Crafts Alkylation of Pyrroles with α-Ketoe…

2011

Chiral complexes of 1,1′-bi-2-naphthol-based ligands with zirconium tert-butoxide catalyze the Friedel–Crafts alkylation of pyrroles with α-ketoesters to afford tertiary alcohols in good yields and ee up to 98%. The reaction is also of application to 4,7-dihydroindole to give C2-alkylated indoles after oxidation with p-benzoquinone.

Enantioselective Synthesis of Tertiary Alcohols through a Zirconium-Catalized Friedel-Crafts Alkylation of Pyrroles with alpha-Ketoesters

2011

Chiral complexes of 1,10-bi-2-naphthol-based ligands with zirconium tert-butoxide catalyze the Friedel Crafts alkylation of pyrroles with R-ketoesters to afford tertiary alcohols in good yields and ee up to 98%. The reaction is also of application to 4,7-dihydroindole to give C2-alkylated indoles after oxidation with p-benzoquinone.

ChemInform Abstract: Synthesis of Functionalized Indoles with a Trifluoromethyl-Substituted Stereogenic Tertiary Carbon Atom Through an Enantioselect…

2010

Chiral complexes of BINOL-based ligands with zirconium tert-butoxide catalyze the Friedel-Crafts alkylation reaction of indoles with beta-trifluoromethyl-alpha,beta-unsaturated ketones to give functionalized indoles with an asymmetric tertiary carbon center attached to a trifluoromethyl group. The reaction can be applied to a large number of substituted alpha-trifluoromethyl enones and substituted indoles. The expected products were obtained with good yields and ees of up to 99%.

Coupled Modelling of ZrO 2 /α-Zr(O) Layers Growth under Thermal and Mechanical Gradients

2019

The oxidation process of a nuclear reactor fuel rod clad made of zirconium is simulated. It is assumed that the oxygen is transported by anionic diffusion in the zirconia layer (ZrO2). Part of this oxygen reacts at the interface between the zirconia layer and the metal, while the rest diffuses in the oxygen-enriched metal volume (α-Zr(O)) to the core of the metal by an interstitial mechanism. The model is based on the thermodynamics of irreversible processes and takes into account the influence of driving forces on the oxygen migration in the metal such as the oxygen concentration gradient, the temperature gradient [1] and the mechanical stress gradient [2]. The growth of both ZrO2 and α-Zr…