Studies on ternary phase diagrams of the Na-Fe-O system have been carried out from the thermodynamic point of view. Thermodynamic data of main ternary Na-Fe oxides Na4FeO3(s), Na3FeO3(s), Na5FeO4(s) and Na8Fe2O7(s) have been assessed. A user database has been created by reviewing literature data together with recent DSC and vapor pressure measurements by the present authors. New ternary phase diagrams of the Na-Fe-O system have been constructed from room temperature to 1000 K. Stable conditions of the ternary oxides at 800 K were presented in predominance diagram as functions of oxygen pressure and sodium pressure. 相似文献
Surface modification of TiO2 powders with lanthanide salts (EuCl3 or YbCl3) enhanced photocatalytic decomposition of ATP. In comparison with the unmodified catalyst, a 3-fold increase in the ATP decay
rate was observed with TiO2 powders as prepared in 5 mM EuCl3 (or YbCl3) solution. The reason was ascribed to enrichment of ATP to TiO2 powder with the lanthanide ions. Evidence was obtained by adsorption experiments where ATP concentration was monitored after
dispersing TiO2 powders into the solution. The ATP molecules adsorbed faster to TiO2 powder and strongly stabilized there in the presence of Yb3+ than otherwise. 相似文献
The solid-state complexation between cholic acid (CA) and either methyl p-hydroxybenzoate (MPB) or ibuprofen (IBP) was investigated. Powder X-ray diffractometry, IR spectroscopy and thermal analysis suggested the complex formation between CA and MPB as well as between CA and IBP by co-grinding method. The stoichiometry of CA-MPB was 1 : 1 while that of CA-IBP was 2 : 1, reflecting the effect of guest size on complex formation. The guest compounds were assumed to be included in the channel of complexes formed by hydrogen bonds among CA molecules. 相似文献
An acid urease column was applied to a fluorometric flow-injection analysis (FIA) system as a recognition element for determination of urea in rice wines.
The acid urease has specific properties of showing its catalytic activity in low pH range and tolerance to ethanol in comparison to those of a urease from jack-beans. The enzymes were covalently immobilized onto porous glass beads with controlled pore size and then, packed into a small polymer column. The flow-type of the biosensing system was assembled with a sample injection valve, the immobilized enzyme column, and a flow-through quartz cell attached to a fluorescent spectrophotometer. Citrate buffer (50 mM, pH 5.0) as the carrier solution was continuously pumped through the system. Sample solutions were introduced into the system via a rotary injection valve. A standard urea solution was measured through monitoring variations in fluorescent intensity attributable to fluorescent isoindole derivatives formed by coupling with ammonia molecules released in the enzymatic hydrolysis of urea and orthophthalaldehyde reagents. The fluorescent intensity was measured under the conditions of λex = 415 nm and λem = 485 nm. A wide, linear relationship was obtained between the concentration of urea (1.0–100 μM) and the variation in fluorescent intensity. The monitoring did not suffer from ethanol and various amino acids contained in rice wines. Real samples pretreated with ion exchange resins for removal of endogenous ammonia were introduced into the FIA system and urea in the samples was determined. These results were compared with those obtained with use of an F-kit method. The proposed FIA system should present sensitive, selective and convenient analysis of urea in alcoholic beverages. 相似文献
The integral equation for the distribution function of the effective fields in the random Ising model in the finite external field is solved exactly at zero temperature in the one-dimensional case for 1) dilute ferromagnet, 2) dilute antiferromagnet and 3) ±J model. The ground state characteristics of these systems are obtained. In particular the effective fields in the ±J model are shown to have a triangular distribution in the zero external field limit. 相似文献
Extensive ab initio calculations using a complete active space second-order perturbation theory wavefunction, including scalar and spin-orbit relativistic effects with a quadruple-zeta quality basis set were used to construct an analytical potential energy surface (PES) of the ground state of the [H, O, I] system. A total of 5344 points were fit to a three-dimensional function of the internuclear distances, with a global root-mean-square error of 1.26 kcal mol(-1). The resulting PES describes accurately the main features of this system: the HOI and HIO isomers, the transition state between them, and all dissociation asymptotes. After a small adjustment, using a scaling factor on the internal coordinates of HOI, the frequencies calculated in this work agree with the experimental data available within 10 cm(-1). 相似文献
A time-of-flight (TOF) ion mass spectrum in coincidence with threshold photoelectrons was measured in the photon energy region between the first and second dissociation limits of Kr2(+) to examine the decay processes of the Kr2(+) II(1/2u) state. The measured TOF spectrum reveals that Kr+ fragment ions are produced through dissociation of the repulsive I(1/2g) state, which can be formed by the decay process of the II(1/2u) state accompanied with emission of photons. The potential-energy curve of the I(1/2g) state is deduced with detailed analysis of the observed TOF spectrum, in which the radiative lifetime of the II(1/2u) state was also derived to be 2.5 micros. Additionally, evidence of the dissociation process of Kr3(+) ions was obtained in the same photon energy region, where the dominant channel is Kr3(+) --> Kr2(+) + Kr. 相似文献
The diazocarbene radical, CNN, and the ions CNN+ and CNN? were investigated at a high level of theory. Very accurate structural parameters for the states X3Σ? and A3Π of CNN, and X2Π of both CNN+ and CNN? were obtained with the UCCSD(T) method using correlated-consistent basis functions with extrapolations to the complete basis set limit, with valence only and also with all electrons correlated. Harmonic and anharmonic frequencies were obtained for all species and the Renner parameter and average frequencies evaluated for the Π states. At the UCCSD(T)/CBST-5 level of theory, ΔfH(0 K) = 138.89 kcal/mol and ΔfH(298 K) = 139.65 kcal/mol were obtained for diazocarbene; for the ionization potential and the electron affinity of CNN, 10.969 eV (252.95 kcal/mol), and 1.743 eV (40.19 kcal/mol), respectively, are predicted. Geometry optimization was also carried out with the CASSCF/MRCI/CBST-5 approach for the states X3Σ?, A3Π, and a1Δ of CNN, and with the CASSCF/MRSDCI/aug-cc-pVTZ approach for the states b1Σ+, c1Π, d1Σ?, and B3Σ?, and excitation energies (Te) evaluated. Vertical energies were calculated for 15 electronic states, thus improving on the accuracy of the five transitions already described, and allowing for a reliable overview of a manifold of other states, which is expected to guide future spectroscopic experiments. This study corroborates the experimental assignment for the vertical transition X3Σ? ← E3Π. 相似文献