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861.
Carolina A. Pinto P. M. Büchler J. Dweck 《Journal of Thermal Analysis and Calorimetry》2007,87(3):715-720
The catalyst
used in fluidized catalytic cracking (FCC) units of refineries after several
recovery cycles in regeneration units, reduces its activity and it is partially
substituted by new catalyst in the process. As it has a high silicon and aluminum
oxides content, the pozzolanic properties of a Brazilian FCC spent residual
catalyst, used in different substitution degrees to cement, were evaluated
by three thermal analysis techniques during the early stages of hydration
of a type II Portland cement. NCDTA curves show in real time that the residual
catalyst, accelerates the stages of cement hydration. TG and DSC curves of
respective pastes after 24 h of hydration evidence the pozzolanic activity
of the waste, respectively, by the lower water mass loss during the dehydroxylation
of the residual calcium hydroxide and by the lower dehydroxylation endothermal
effect. Within the analyzed period, the higher is the cement substitution
degree, the higher is the pozzolanic activity of the residual catalyst. 相似文献
862.
Changlun Chen Di Xu Xiaoli Tan Xiangke Wang 《Journal of Radioanalytical and Nuclear Chemistry》2007,273(1):227-233
The fate and transport of toxic metal ions and radionuclides in the environment is generally controlled by sorption reactions.
The extent of sorption of divalent metal cations is controlled by a number of factors including cosorbing or complexing. In
this work, the effects of pH, humic acid HA/Co(II) addition orders, ionic strength, concentration of HA, and foreign cations
on the Co(II) sorption on γ-Al2O3 in the presence of HA were investigated. The sorption isotherms of Co(II) on γ-Al2O3 in the absence and presence HA were also studied and described by using S-type sorption model. The experimental results showed
that the Co(II) sorption is strongly dependent on the pH values, concentration of HA, but independent of HA/Co(II) addition
orders, ionic strength, and foreign cations in the presence of HA under our experimental conditions. The results also indicated
that HA enhanced the Co(II) sorption at low pH, but reduced the Co(II) sorption at high pH. It was hypothesized that the significantly
positive influence of HA at low pH on the Co(II) sorption on γ-Al2O3 was attributed to strong surface binding of HA on γ-Al2O3 and subsequently the formation of ternary surface complexes such as ≡S-OOC-R-(COO−)
x
Co2−x
. Chemi-complexation may be the main mechanism of the Co(II) sorption on γ-Al2O3 in the presence of HA. 相似文献
863.
Myron S. Huzan Manuel Fix Matteo Aramini Peter Bencok J. Frederick W. Mosselmans Shusaku Hayama Franziska A. Breitner Leland B. Gee Charles J. Titus Marie-Anne Arrio Anton Jesche Michael L. Baker 《Chemical science》2020,11(43):11801
Large single-ion magnetic anisotropy is observed in lithium nitride doped with iron. The iron sites are two-coordinate, putting iron doped lithium nitride amongst a growing number of two coordinate transition metal single-ion magnets (SIMs). Uniquely, the relaxation times to magnetisation reversal are over two orders of magnitude longer in iron doped lithium nitride than other 3d-metal SIMs, and comparable with high-performance lanthanide-based SIMs. To understand the origin of these enhanced magnetic properties a detailed characterisation of electronic structure is presented. Access to dopant electronic structure calls for atomic specific techniques, hence a combination of detailed single-crystal X-ray absorption and emission spectroscopies are applied. Together K-edge, L2,3-edge and Kβ X-ray spectroscopies probe local geometry and electronic structure, identifying iron doped lithium nitride to be a prototype, solid-state SIM, clean of stoichiometric vacancies where Fe lattice sites are geometrically equivalent. Extended X-ray absorption fine structure and angular dependent single-crystal X-ray absorption near edge spectroscopy measurements determine FeI dopant ions to be linearly coordinated, occupying a D6h symmetry pocket. The dopant engages in strong 3dπ-bonding, resulting in an exceptionally short Fe–N bond length (1.873(7) Å) and rigorous linearity. It is proposed that this structure protects dopant sites from Renner–Teller vibronic coupling and pseudo Jahn–Teller distortions, enhancing magnetic properties with respect to molecular-based linear complexes. The Fe ligand field is quantified by L2,3-edge XAS from which the energy reduction of 3dz2 due to strong 4s mixing is deduced. Quantification of magnetic anisotropy barriers in low concentration dopant sites is inhibited by many established methods, including far-infrared and neutron scattering. We deduce variable temperature L3-edge XAS can be applied to quantify the J = 7/2 magnetic anisotropy barrier, 34.80 meV (∼280 cm−1), that corresponds with Orbach relaxation via the first excited, MJ = ±5/2 doublet. The results demonstrate that dopant sites within solid-state host lattices could offer a viable alternative to rare-earth bulk magnets and high-performance SIMs, where the host matrix can be tailored to impose high symmetry and control lattice induced relaxation effects.Taking advantage of synchrotron light source methods, we present the geometric and electronic structure of iron doped in lithium nitride. 相似文献
864.
In this study, a syringe was filled with silica gel loaded with 3-aminopropyltriethoxysilane, for the separation and preconcentration of copper, cadmium and chromium prior to their determination by graphite furnace atomic absorption spectrometry (GFAAS) in seawater. For this purpose, a syringe was filled with 0.5 g of modified silica gel and the sample solution was drawn into the syringe and ejected back again. The analyte elements were quantitatively retained at pH 5. Then, the elements sorbed by the silica gel were eluted with 2.0 M of HCl and determined by GFAAS. At optimum conditions, the recovery of Cu, Cd and Cr were 96-98%. Detection limits (3delta) were 6.6, 7.5 and 6.0 micro g L(-1) for Cu, Cd and Cr, respectively. The elements could be concentrated by drawing and discharging several portions of sample successively but eluting only once. Cu, Cd and Cr added to a seawater sample were quantitatively recovered (>95%) in the range of the 95% confidence level. The method proposed in this paper was compared with a column technique. Optimum experimental conditions, reproducibility, precision and recoveries of both techniques are the same, but the syringe technique is much faster, easier and more practical than the column technique. It is a portable system and allows one to make the sorption process in the source of sample. In addition, the risk of contamination is less than in the column technique. 相似文献
865.
The adsorption/desorption process of borate was studied at Pt(111) in acidic solution by cyclic voltammetry. A so-called butterfly
wave in the cyclic voltammogram of Pt(111) in HClO4 shifted to negative direction upon the addition of boric acid with the disappearance of its sharp spikes. The shift in potential
was found to be −57 mV with a tenfold increase of boric acid concentration. This illustrates that this anomalous wave is due
to borate adsorption/desorption by a one-electron transfer process. The borate adsorption/desorption wave was observed to
shift by −63 mV/pH. At pH>3, the anomalous wave splits forming two separate waves, depending on the pH and the scan rate.
The appearance of two waves is assigned to the change in the adsorption mode of borate or the participation of OH in the adsorption
process. 相似文献
866.
Vijayasarathi Nagarajan Barbara Müller Oksana Storcheva Klaus Köhler Andreas Pöppl 《Research on Chemical Intermediates》2007,33(8):705-724
Interactions and binding sites of the solvent molecules chloroform and ethanol to bis(acetylacetonate)oxovanadium(IV) (VO(acac)2) complexes in (frozen) solutions have been investigated by pulsed electron nuclear double resonance, sum peak electron spin
echo envelope modulation and hyperfine sublevel correlation spectroscopy. The experimental proton hyperfine coupling data
of coordinating solvent molecules have been interpreted using quantum chemical calculations (density functional theory). Experimental
and computed hyperfine couplings indicate that ethanol coordinates to vanadium in the equatorial plane of VO(acac)2 and chloroform interacts via hydrogen bonding to oxygens of the acac ligands. 相似文献
867.
Liu J Pan D Tseng Y Hopfinger AJ 《Journal of chemical information and computer sciences》2003,43(6):2170-2179
A training set of 55 antifungal p450 analogue inhibitors was used to construct receptor-independent four-dimensional quantitative structure-activity relationship (RI 4D-QSAR) models. Ten different alignments were used to build the models, and one alignment yields a significantly better model than the other alignments. Two different methodologies were used to measure the similarity of the best 4D-QSAR models of each alignment. One method compares the residual of fit between pairs of models using the cross-correlation coefficient of their residuals of fit as a similarity measure. The other method compares the spatial distributions of the IPE types (3D-pharmacophores) of pairs of 4D-QSAR models from different alignments. Optimum models from several different alignments have nearly the same correlation coefficients, r(2), and cross-validation correlation coefficients, xv-r(2), yet the 3D-pharmacophores of these models are very different from one another. The highest 3D-pharmacophore similarity correlation coefficient between any pair of 4D-QSAR models from the 10 alignments considered is only 0.216. However, the best 4D-QSAR models of each alignment do contain some proximate common pharmacorphore sites. A test set of 10 compounds was used to validate the predictivity of the best 4D-QSAR models of each alignment. The "best" model from the 10 alignments has the highest predictivity. The inferred active sites mapped out by the 4D-QSAR models suggest that hydrogen bond interactions are not prevalent when this class of P450 analogue inhibitors binds to the receptor active site. This feature of the 4D-QSAR models is in agreement with the crystal structure results that indicate no ligand-receptor hydrogen bonds are formed. 相似文献
868.
Lytchak Alexander Petrunin Anton 《Journal of Optimization Theory and Applications》2022,194(2):636-642
Journal of Optimization Theory and Applications - We show that cyclic products of projections onto convex subsets of Hadamard spaces can behave in a more complicated way than in Hilbert spaces,... 相似文献
869.
Koichi Kikuta Koji Noda Shin Okumura Toshiaki Yamaguchi Shin-ichi Hirano 《Journal of Sol-Gel Science and Technology》2007,42(3):381-387
Orientation control of perovskite compounds was investigated by the application of a seed layer prepared from oxide nanosheets.
An aqueous suspension of oxide nanosheets was prepared by the exfoliation of a layered compound of KCa2Nb3O10 oxide grains. A seed layer composed of (TBA)Ca2Nb3O10 nanosheets (TBA = tetrabutylammonium) was formed on a glass substrate by simply dip coating it in the suspension. Two kinds
of perovskite compounds, LaNiO3 (LNO) and Pb(Zr,Ti)O3 (PZT) with a preferred orientation of (00l) were successfully grown on this seeded glass substrate. In this study, the relation between lattice mismatch and electrical
properties is investigated. A large, oriented PZT film with a size of 5 ×4 cm shows an improved P-E hysteresis behavior by
use of this orientation control. 相似文献
870.
John M. Charnes Howard Marmorstein Walter Zinn 《The Journal of the Operational Research Society》1995,46(8):1006-1013
We consider a periodic-review inventory replenishment model with an order-up-to-R operating doctrine for the case of deterministic lead times and a covariance-stationary stochastic demand process. A method is derived for setting the inventory safety stock to achieve an exact desired stockout probability when the autocovariance function for Gaussian demand is known. Because the method does not require that parametric time-series models be fit to the data, it is easily implemented in practice. Moreover, the method is shown to be asymptotically valid when the autocovariance function of demand is estimated from historical data. The effects on the stockout rate of various levels of autocorrelated demand are demonstrated for situations in which autocorrelation in demand goes undetected or is ignored by the inventory manager. Similarly, the changes to the required level of safety stock are demonstrated for varying levels of autocorrelation. 相似文献