Search results for "OXIDE"
showing 10 items of 6424 documents
Corrosion and wear resistance of coatings produced on AZ31 Mg alloy by plasma electrolytic oxidation in silicate-based K2TiF6 containing solution: Ef…
2022
Abstract In this research, plasma electrolytic oxidation coatings were prepared on AZ31 Mg alloy in a silicate-based solution containing K2TiF6 using bipolar and soft sparking waveforms with 10, 20, and 30% cathodic duty cycles. The coatings displayed a net-like surface morphology consisted of irregular micro-pores, micro-cracks, fused oxide particles, and a sintered structure. Due to the incorporation of TiO2 colloidal particles and the cathodic pulse repair effect, most of the micro-pores were sealed. Long-term corrosion performance of the coatings was investigated using electrochemical impedance spectroscopy during immersion in 3.5 wt.% NaCl solution up to 14 days. The coating grown by t…
InBO3 and ScBO3 at high pressures: an ab initio study of elastic and thermodynamic properties
2016
We have theoretically investigated the elastic properties of calcite-type orthoborates ABO(3) (A= Sc and In) at high pressure by means of ab initio total-energy calculations. From the elastic stiffness coefficients, we have obtained the elastic moduli (B, G and E), Poisson's ratio (nu), B/G ratio, universal elastic anisotropy index (A(U)), Vickers hardness, and sound wave velocities for both orthoborates. Our simulations show that both borates are more resistive to volume compression than to shear deformation (B > G). Both compounds are ductile and become more ductile, with an increasing elastic anisotropy, as pressure increases. We have also calculated some thermodynamic properties, like D…
Dynamic Magnetic and Optical Insight into a High Performance Pentagonal Bipyramidal Dy(III) Single-Ion Magnet
2017
The pentagonal bipyramidal single-ion magnets (SIMs) are among the most attractive prototypes of high-performance single-molecule magnets (SMMs). Here, a fluorescence-active phosphine oxide ligand CyPh2PO (=cyclohexyl(diphenyl)phosphine oxide) was introduced into [Dy(CyPh2PO)2(H2O)5]Br3⋅2 (CyPh2PO)⋅EtOH⋅3 H2O, and combined dynamic magnetic measurement, optical characterization, ab initio calculation, and magneto-optical correlation of this high-performance pseudo-D5h DyIII SIM with large Ueff (508(2) K) and high magnetic hysteresis temperature (19 K) were performed. This work provides a deeper insight into the rational design of promising molecular magnets.
Crystal structure of sinhalite MgAlBO4 under high pressure
2015
We report on high-pressure angle-dispersive X-ray diffraction data up to 27 GPa for natural MgAlBO4 sinhalite mineral and ab initio total energy calculations. The experimental bulk modulus of sinhalite is B-0 = 171(3) GPa with a first-pressure derivative of B-0' = 4.2(3). A comparison with other olivine-type compounds shows that the value for B0 is 27% larger than that of Mg2SiO4 forsterite and 29% smaller than that of Al2BeO4 chrysoberyl. These differences are interpreted, on the basis of our ab initio calculations, in terms of the relative incompressibility of Al-O bonds in AlO6 octahedra (with a calculated bulk modulus of 250(1) GPa) as compared to Mg-O bonds in MgO6 octahedra (with a ca…
Ab Initio Study on the Mechanism of the Reactions of the Nitrate Radical with Haloalkenes: 1,2-Dichloroethene, 1,1-Dichloroethene, Trichloroethene, …
2000
A general mechanism for the reactions of the NO3 radical with 1,2-dichloroethene, 1,1-dichloroethene, trichloroethene, and tetrachloroethene is proposed from ab initio DFT calculations. The calculated mechanism shows three main parallel reaction pathways. For the systems where the two carbon atoms are differently substituted, the study includes both the attacks with Markownikoff and contra-Markownikoff orientation. The first reaction pathway leads to the formation of an epoxide along with the NO2 radical, the second one to the formation of carbonyl compounds, and the third one leads, through the cleavage of the C−C bond, to the formation of carbonyl compounds with a lower number of carbon a…
Utilization of impedance spectroscopy to investigate the self-assembly behavior of amphiphiles soluble in supercritical carbon dioxide: Preliminary r…
2007
Abstract A mixture of CO 2 , water, methyl orange (MO) and Dynol 604 surfactant was analyzed at 309 K and 20 MPa simultaneously by impedance and UV–vis spectroscopy. A plot of the static dielectric constant as a function of the surfactant concentration was obtained using a suitable equivalent circuit to elaborate impedance data. Experimental points can be fitted by two different straight lines whose intersection occurs at about 0.13% (w/w) concentration of Dynol. When the surfactant concentration crossed the aforementioned value, a peak was detectable in the UV–vis spectrum at a wavelength range corresponding to the absorption of MO; absorbance of the peak increased with the surfactant conc…
Low-Cost Synthesis of Smart Biocompatible Graphene Oxide Reduced Species by Means of GFP.
2015
The aim of this work is focused on the engineering of biocompatible complex systems composed of an inorganic and bio part. Graphene oxide (GO) and/or graphite oxide (GtO) were taken into account as potential substrates to the linkage of the protein such as Anemonia sulcata recombinant green fluorescent protein (rAsGFP). The complex system is obtained through a reduction process between GO/GtO and rAsGFP archiving an environmentally friendly biosynthesis. Spectroscopic measurements support the formation of reduced species. In particular, photoluminescence shows a change in the activity of the protein when a bond is formed, highlighted by a loss of the maximum emission signal of rAsGFP and a …
Effect of cooking on oxalate content of pulses using an enzymatic procedure.
2003
An enzymatic method proposed for the determination of oxalate in urine is adapted for the estimation of soluble oxalate content in beans, chickpeas and lentils. Oxalates were extracted in water by refluxing for 2 h. The method is based on the oxidation of oxalate by the oxidase and the determination of the resulting hydrogen peroxide, which in presence of peroxidase, 3-methyl-2 benzotiazinolone and 3-dimethylamino benzoic, gives an indamine compound with an absorption maximum at 590 nm. The linearity (from 0.015 to 0.6 mM) of the method is adequate to the analysis of oxalate contents in pulses, and the inter-day precision of the method expressed as relative standard deviation was good (3.01…
Water absorption and hydrothermal ageing of epoxy adhesives reinforced with amino-functionalized graphene oxide nanoparticles
2021
Abstract The study is focused on quantitative characterization of water absorption and hydrothermal ageing effects in a room-temperature amine cured epoxy adhesive widely used in automotive, aerospace, construction, and marine industries. Amino-functionalized graphene oxide (mGO) nanoparticles were incorporated into the epoxy (up to 1.72 wt.%) enabled cross-linking reactions and providing high interfacial adhesion, superior reinforcement efficiency and enhanced resistance to hydrothermal ageing of nanocomposites. Anomalous water absorption accompanied by progressive weight loss of samples (down to 7%) is fitted by two-stage models considering additive and coupled contribution from water dif…
Upgrading landfill gas using a high pressure water absorption process
2014
Abstract The upgrading of landfill gas (methane 54.2 ± 2.0%, carbon dioxide 42.1 ± 2.4% and nitrogen 3.7 ± 1.2%) was studied with a pilot-scale high pressure water absorption system consisting of absorption, desorption and gas drying units. The gas was upgraded in two phases and with two absorption columns operating in sequence in pressures up to 180 bar, and with initial pressures of 8 and 10 bar. This type of high pressure process, where water is used for increasing the gas pressure, does not need a separate compression unit to produce the gas pressure required by gas vehicles. Product gas with a methane contents ranging from 83.0% to 92.1% was achieved with differing process parameters, …