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1.
Modelling of calcium sulphate solubility in concentrated multi-component sulphate solutions 总被引:1,自引:0,他引:1
The chemistry of several calcium sulphate systems was successfully modelled in multi-component acid-containing sulphate solutions using the mixed solvent electrolyte (MSE) model for calculating the mean activity coefficients of the electrolyte species. The modelling involved the fitting of binary mean activity, heat capacity and solubility data, as well as ternary solubility data. The developed model was shown to accurately predict the solubility of calcium sulphate from 25 to 95 °C in simulated zinc sulphate processing solutions containing MgSO4, MnSO4, Fe2(SO4)3, Na2SO4, (NH4)2SO4 and H2SO4. The addition of H2SO4 results in a significant increase in the calcium sulphate solubility compared to that in water. By increasing the acid concentration, gypsum, which is a metastable phase above 40 °C, dehydrates to anhydrite, and the conversion results in a decrease in the solubility of calcium sulphate. In ZnSO4–H2SO4 solutions, it was found that increasing MgSO4, Na2SO4, Fe2(SO4)3 and (NH4)2SO4 concentrations do not have a pronounced effect on the solubility of calcium sulphate. From a practical perspective, the model is valuable tool for assessing calcium sulphate solubilities over abroad temperature range and for dilute to concentrated multi-component solutions. 相似文献
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Simultaneous determination of Fe(II) and Fe(III) by kinetic spectrophotometric H-point standard addition method 总被引:1,自引:0,他引:1
The H-point standard addition method (HPSAM) for simultaneous determination of Fe(II) and Fe(III) is described. The method is based on the difference in the rate of complex formation of iron in two different oxidation states with Gallic acid (GA) at pH 5. Fe(II) and Fe(III) can be determined in the range of 0.02–4.50 μg ml−1 and 0.05–5.00 μg ml−1, respectively, with satisfactory accuracy and precision in the presence of other metal ions, which rapidly form complexes with GA under working conditions. The proposed method was successfully applied for simultaneous determination of Fe(II) and Fe(III) in several environmental and synthetic samples with different concentration ratios of Fe(II) and Fe(III). 相似文献
3.
Anthony Fratiello Vicki Kubo-Anderson Soheil Azimi Thomas Flores Eric Marinez Dennis Matejka Richard Perrigan Michael Vigil 《Journal of solution chemistry》1990,19(8):811-829
A coordination study of Lu(III) has been carried out for the nitrate and perchlorate salts in aqueous mixtures of acetone-d6 and Freon-12 by1H,15N and35Cl NMR spectroscopy. At temperatures lower than –90°C, proton and ligand exchange are slow enough to permit the direct observation of1H resonance signals for coordinated and free water molecules, leading to an accurate measure of the Lu(III) hydration number. In perchlorate solution, in the absence of inner-shell ion-pairing, Lu(III) exhibits a maximum coordination number of six over the allowable concentration range of study, contrasting markedly with the report of values of six to nine or greater as determined by a similar NMR method. The absence of contact ion-pairing was confirmed by35Cl NMR chemical shift and linewidth measurements. Extensive ion-pairing was observed in the nitrate solutions as reflected by the lower Lu(III) hydration numbers of two to three in these systems, the observation of two coordinated water signals, and15N NMR signals for two complexes. The1H and15N NMR spectra and the hydration number could be accounted for by the presence of (H2O)4Lu(NO3)2+ and (H2O)2Lu(NO3)
2
1+
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Molecular Diversity - In this research, QSAR modeling was carried out through SMILES of compounds and on the basis of the Monte Carlo method to predict the antioxidant activity of 79 derivatives of... 相似文献
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Nonlinear Dynamics - An odd number of real Floquet multipliers greater than unity prevents the classical time delayed feedback control from stabilizing torsion-free orbits of nonautonomous systems.... 相似文献
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Nonlinear Dynamics - Gears are important mechanical parts with various industrial applications. Many researchers have investigated the complex nonlinear behavior of geared systems by studying the... 相似文献
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In this work, forced convective heat transfer of nanofluid in the developing laminar flow (entrance region) in a circular tube is considered. The nanofluid thermal conductivity, as an important parameter, is considered as two parts: static and dynamic part. Simulated results show that the dynamic part of nanofluid thermal conductivity due to the Brownian motion has a minor effect on the heat transfer coefficients, on the other hand, static part of thermal conductivity including nanolayer around nanoparticle has an important role in heat transfer. 相似文献
9.
Fatemeh Niroomand Hosseini Alireza Ariafard Gholamhassan Azimi 《Journal of organometallic chemistry》2011,696(21):3351-3358
Three metal square planar complexes of the type [M(CH3)2(NH3)2] (M = Ni, Pd, Pt), with a systematic variation in the metals, are chosen to investigating their SN2-type oxidative addition reactions with methyl iodide by using the B3LYP levels of theory. The oxidative addition was found to take place via a transition state with a nearly linear arrangement of the I-CH3-M moiety. Solvation effects in these oxidative addition reactions were also investigated. Considering the nature of the metal centre and solvation effects, the following conclusions emerge: (i) addition of MeI is exothermic for all three metals, and Pt is predicted to react with a much lower barrier than either Pd or Ni. The results describe that the MeI addition would be expected to be more favourable with the complex bearing the third-row metal (platinum) as compared to the other triad metals, nickel or palladium, in which case a more strongly bound MeI adduct is formed with a lower activation barriers and the reaction being more exothermic; (ii) the reaction is very difficult to occur in low polar solvents, such as benzene, due to the high barrier which is induced by dissociation of iodide anion from methyl group, but the reaction easily occurs in polar solvents, such as acetonitrile; this is attributed to the ability of polar solvents to solvate and therefore stabilize the related polar intermediate ion pair. Ethane reductive elimination from the M(VI) complexes fac-[M(CH3)3(NH3)2I] were also studied, indicating that the Ni(IV) and Pd(IV) complexes are very prone to undergo the reductive elimination while the Pt(IV) analogous is less reactive towards the reductive elimination. The results indicate that in contrast to the Me-Me reductive elimination, the SN2 oxidative addition reaction of MeI to M(II) is much less sensitive to the nature of the metal centre, suggesting that the nucleophilicity of M(II) in [M(CH3)2(NH3)2] does not change significantly as one moves from M = Ni to Pt. 相似文献
10.
H. Hossienkhani V. Fayaz S. A. A. Terohid N. Azimi Z. Zarei M. Ganji 《Theoretical and Mathematical Physics》2018,194(3):415-438
We study a dilaton scalar field coupled to ghost dark energy in an anisotropic universe. The evolution of dark energy, which dominates the universe, can be completely described by a single dilaton scalar field. This connection allows reconstructing the kinetic energy and also the dynamics of the dilaton scalar field according to the evolution of the energy density. Using the latest observational data, we obtain bounds on the ghost dark energy models and also on generalized dark matter and dark energy. For this, we investigate how the expansion history H(z) is determined by observational quantities. We calculate the evolution of density perturbations in the linear regime for both ghost and generalized ghost dark energy and compare the results with ΛCDM models. We discuss the justification of the generalized second law of thermodynamics in a Bianchi type-I universe. The obtained model is stable for large time intervals but is unstable at small times. 相似文献