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81.
In this study, a soft method is proposed to calculate concentration and spectral profiles for the two‐way spectral data from dissociation equilibria of polyprotic acids (HnA). This method has four main distinct steps: (i) a fixed size moving window evolving factor analysis (FSMWEFA) was used to identify the local rank map, (ii) WFA was applied to calculate the concentration profiles of HnA and An− (selection of the window for application of WFA was performed using EFA), (iii) PVA was used to calculate Hn − 1A to HA spectral profiles, and (iv) a symmetry constraint, in addition to the non‐negativity constraint, was utilized to obtain the unique concentration and spectral profiles from different acceptable sets of profiles. In the absence of any selective region in the spectral data, the proposed soft method resulted in unique solution without rotational ambiguity. This study is the first application of symmetry constraint on concentration profiles. The rotational ambiguity drastically decreased on considering the constraint of symmetry of the Hn − 1A and HA concentration profiles, in addition to non‐negativity of profiles. Simulated examples were used to confirm these approaches. Effect of closeness of dissociation constants on the estimated values of constants was investigated. The results showed that when the difference between pKa values is more than 1.2, the obtained errors in the estimation of pKa values are less than about 6.5%. The considered real data were from pH‐metric titration of fluorescein. The obtained spectral and concentration profiles and the estimated pKa values for fluorescein were in good agreement with the previously reported data. Copyright © 2009 John Wiley & Sons, Ltd. 相似文献
82.
For a broad class of Fréchet-Lie supergroups $ \mathcal{G} $ , we prove that there exists a correspondence between positive definite smooth (resp., analytic) superfunctions on $ \mathcal{G} $ and matrix coefficients of smooth (resp., analytic) unitary representations of the Harish-Chandra pair (G, $ \mathfrak{g} $ ) associated to $ \mathcal{G} $ . As an application, we prove that a smooth positive definite superfunction on $ \mathcal{G} $ is analytic if and only if it restricts to an analytic function on the underlying manifold of $ \mathcal{G} $ . When the underlying manifold of $ \mathcal{G} $ is 1-connected we obtain a necessary and sufficient condition for a linear functional on the universal enveloping algebra U( $ {{\mathfrak{g}}_{\mathbb{C}}} $ ) to correspond to a matrix coefficient of a unitary representation of (G, $ \mathfrak{g} $ ). The class of Lie supergroups for which the aforementioned results hold is characterised by a condition on the convergence of the Trotter product formula. This condition is strictly weaker than assuming that the underlying Lie group of $ \mathcal{G} $ is a locally exponential Fréchet-Lie group. In particular, our results apply to examples of interest in representation theory such as mapping supergroups and diffeomorphism supergroups. 相似文献
83.
84.
Farid Taherkhani Hadi Abroshan Hamed Akbarzadeh Alessandro Fortunelli 《Phase Transitions》2013,86(7):613-623
We investigate a one-dimensional (1-D) Ising model for finite-site systems. The finite-site free energy and the surface free energy are calculated via the transfer matrix method. We show that, at high magnetic fields, the surface free energy has an asymptotic limit. The absolute surface energy increases when the value of f (the ratio of magnetic field to nearest-neighbor interactions) increases, and for f?≥?10 approaches a constant value. For the values of f?≥?0.2, the finite-site free energy also increases, but slowly. The thermodynamic limit in which physical properties approach the bulk value is also explored. 相似文献
85.
The effects of second-neighbor spin coupling interactions and a magnetic field are investigated on the free energies of a finite-size 1-D Ising model. For both ferromagnetic of nearest neighbor (NN) and next-nearest neighbor (NNN) spin coupling interactions, the finite-size free energy first increases and then approaches a constant value for any size of the spin chain. In contrast, when NNN and NN spin coupling interactions are antiferromagnetic and ferromagnetic, respectively, the finite-size free energy gradually decreases by increasing the competition factor and eventually vanishes for large values of it. When a magnetic field is applied, the finite-size free energy decreases with respect to the case of zero magnetic fields for both ferromagnetic and antiferromagnetic spin coupling interactions. Deviation of free energy per size for finite-size systems relative to the infinite system increases when the spin coupling interactions as well as the f parameter (the ratio of the magnetic field to NN spin coupling interaction) increase. 相似文献
86.
Carbon‐doped titania (C‐TiO2) nanoparticles were synthesized by the sol–gel method at different calcination temperatures (300–600°C) employing titanium tetraisopropoxide (TTIP) as the titanium source and polyoxyethylene sorbitan monooleate (Tween 80) as the carbon source. The physical properties of C‐TiO2 samples were characterized by X‐ray diffraction (XRD) and scanning electron microscopy (SEM). The photocatalytic activities were checked through the photodegradation of phenolphthalein (PHP) under ultraviolet irradiation. The UV spectrum showed that the carbon doping extends the absorption range of TiO2 to the visible region. However, the photocatalytic activity is affected by the electron–hole recombination phenomenon, as revealed by the photoluminescence (PL) study. According to the PL spectra, carbon doping reduces the edge‐to‐edge electron–hole recombination. Nevertheless, the number of defect sites is greatly influenced by the calcination temperature of C‐TiO2. C‐TiO2 that was calcined at 400°C showed the highest photodegradation percentage of PHP, which was mainly attributed to the synergic effect of the low direct edge‐to‐edge electron–hole recombination, high content of defect sites, and retention of active electrons on the surface hydroxyl group. 相似文献
87.
An efficient method has been developed for the synthesis of 1-(arylimino)naphthalen-2(1H)-ones through the cascade reaction of anilines and 2-naphthols promoted by NaBr/K2S2O8/Ce(NH4)2(NO3)6. Using this protocol, a series of 1-(arylimino)naphthalen-2(1H)-ones was obtained in good to excellent yields (17 examples, 70–92% yields). The reactions may proceed through the following steps: bromination of 2-naphthols by in-situ-generated bromine from NaBr and K2S2O8 to afford 1-bromonaphthalen-2-ols, coupling of 1-bromonaphthalen-2-ols with anilines to afford the corresponding amines, and subsequent oxidation of the amines into the products by Ce(NH4)2(NO3)6. These newly obtained α-imine ketones have great potentials for synthesis of special optical materials bearing naphthalene moiety. 相似文献
88.
89.
A La3+ doped Co3O4 nanocube modified graphite screen-printed electrode (La3+-doped Co3O4 nanocube/SPE) was prepared and utilized for the sensitive voltammetric determination of bisphenol A. In comparison with an unmodified electrode, the presence of the La3+ doped Co3O4 nanocubes caused a significant enhancement in the peak current. Differential pulse voltammetry (DPV), cyclic voltammetry (CV), and chronoamperometry approaches were utilized as diagnostic methods. The modified SPE was used to determine bisphenol A concentrations in the range from 0.5 to 900.0?μM with a limit of detection equal to 6.1?×?10?8 M. Real samples were effectively analyzed with the modified electrode. 相似文献
90.