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41.
Simple two-parameter Hückel and Pitzer equations were used for the calculation of the activity coefficients of aqueous hydrochloric acid at 25°C up to a molality of 2.0 mol-kg–1. The data obtained by Harned and Ehlers(12,13) from galvanic cells without liquid junction were used in the analysis and the parameters obtained were compared to those obtained from all reliable data presented in the literature for HCl at this temperature. A good agreement between the parameters was always observed. The activity coefficients obtained by the new equations were compared to those suggested by Robinson and Stokes,(8) Hamer and Wu,(1) and Pitzer and Mayorga,(9) and good agreement was also found. The data from the most important literature data sets for HCl were also predicted using the new activity coefficient equations, and the magnitude of the resulting errors was close to the precision of the measurements, the errors forming an almost random pattern for all data sets. 相似文献
42.
J. Howard Rytting Danny R. McHan Takeru Higuchi David J. W. Grant 《Journal of solution chemistry》1986,15(8):693-703
Henry's law constants have been determined for -butyrolactone (BL), ethyl acetate (EA), and 2-methyl-3-pentanol (MEP) in mixtures of iso-octane (ISO) and toluene (TOL), for BL, EA, TOL, and ISO in cinnamaldehyde (CIN) and for TOL and ISO in each other and in BL. From these data and published vapor pressures, the activity coefficients at infinite dilution and the standard molar Gibbs free energy of transfer, G
2
0
of the solutes from dilute solution in ISO to dilute solution in each solvent medium have been calculated. The different behavior patterns of BL and EA are attributed to differences in their abilities to exist in different conformations possessing different dipole moments. For polar solutes, G
2
0
decreases with increasing polarizability of the solvent and with increasing dipole moment of the solute, suggesting increased contributions from dipole-induced dipole (Debye) interactions. The sigmoidal plot of G
2
0
against the change in pair potential energy calculated from the classical expressions suggests that G
2
0
seriously underestimates the strength of the Debye interactions in comparison with the London interactions. 相似文献
43.
Solubility behaviors of binary mixtures of CFCl3 (R-11), CFCl2-CF2Cl (R-113), CHCl3 (R-20), CDCl3 (R-20-d), CHCl2–CF3 (R-123) with room-temperature ionic liquid [bmim][PF6] (1-butyl-3-methylimidazolium hexafluorophosphate) have been investigated using the volumetric and cloud-point methods, since all the systems show liquid–liquid equilibria (LLE). Large immiscibility (LLE) gaps of the perhalogenated compounds (R-11 and R-113) in the ionic liquid have been drastically reduced by the addition of only one hydrogen (or deuterium) in these compounds. The R-123 + [bmim][PF6] binary system belongs to the Type-V fluid behavior. Noticeably large negative values (−2 to −8 cm3 mol−1) of the excess molar volume in the ionic liquid-rich side solution have been observed for all the present systems. Experimental LLE data have been well correlated by the use of the NRTL (non-random two liquid) activity coefficient model. 相似文献
44.
Keggin结构钨磷酸稀土镨盐杂多蓝的合成及抗艾滋病病毒(HIV-1)活性的研究 总被引:9,自引:0,他引:9
Keggin结构钨磷酸稀土镨盐杂多蓝的合成及抗艾滋病病毒(HIV-1)活性的研究刘术侠,刘彦勇,王恩波,曾毅,李泽琳(东北师范大学化学系,长春,130024)(中国预防医学科学院,北京)关键词稀土,钨磷杂多蓝,合成,抗艾滋病病毒(HIV-1)活性杂多... 相似文献
45.
A. D. Kurbanova A. O. Arifkhodzhaev D. A. Rakhimov E. L. Kristallovich A. A. Vakhabov Z. A. Khushbaktova 《Chemistry of Natural Compounds》2002,38(5):407-409
The physicochemical properties and qualitative and quantitative monosaccharide composition of Acantophyllum knorringianum pectin were determined. It has been found using periodate-nitric-acid oxidation and IR spectroscopy that galacturonan is a polymer consisting of -1-4-bonded D-galacturonic acid units. The isolated polysaccharide from roots had immunostimulating activity. 相似文献
46.
Òscar Rubio-Pons Boris Minaev Oleksandr Loboda Hans Ågren 《Theoretical chemistry accounts》2005,113(1):15-27
The phosphorescence spectrum of p-dichlorobenzene has been calculated using multiconfiguration self-consistent-field wave functions and the quadratic response technique. Attention has been paid to the intensity distribution of the singlet–triplet (3B1u1Ag) transition through a number of vibronic subbands. The second order spin–orbit coupling (SOC) contribution to the spin splitting of the 3B1u (3*) state is found to be almost negligible, and the calculations therefore provide a good estimate for the zero-field splitting (ZFS) parameters based only on the electron spin–spin coupling expectation values. Nuclear quadrupole resonance constants for the different Cl isotopes are also calculated to accomplish the ZFS assignment. The electric dipole activity of the spin sublevels in the triplet–singlet transitions to the ground-state vibrational levels is estimated by calculations of derivatives using distorted geometries which are shifted from the equilibrium position along different vibrational modes. A vibrational analysis of the phosphorescence spectrum, based on the SOC-induced mixing of the singlet and triplet states calculated along different vibrational modes, provides reasonable agreement with experimental data.Acknowledgment O. R.-P. would like to thank the European MOLPROP network for support. The authors thank Alexander Baev for fruitful discussions. This work was supported by the Swedish Royal Academy of Science (KVA). 相似文献
47.
Nanostructure Pt Electrode Obtained via Self-assembly of Nanoparticles on Conductive Oxide-coated Glass Substrate 总被引:1,自引:0,他引:1
Self-assembly of platinum nanoparticles were applied to fabrication of counter electrode for dye-sensitized solar cells on conductive oxide-coated glass substrate. The present Pt electrode exhibits high exchange current density of 220 mA/cm^2, which is comparable to those prepared by electrodeposition, magnetron sputtering or thermal decomposition of platinum chloride. After analysis by transmission electron microscopy (TEM), atomic force microscopy (AFM) and X-ray photoelectron spectroscopy (XPS), it was found that the catalyst was structurally characterized as nanosized platinum metal clusters and was continuously arranged on electrode surface. The present nanostructure electrode had high electrocatalytic activity for the reduction of iodine in organic solution. 相似文献
48.
D. Tirzite A. Krauze A. Zubareva G. Tirzitis G. Duburs 《Chemistry of Heterocyclic Compounds》2002,38(7):795-800
The alkylation of 3-cyano-1,4-dihydropyridine-2(3H)-thiones or the condensation of an aromatic aldehyde, cyanothioacetamide, acetylacetone, and methyl iodide in the presence of piperidine has given a series of novel 5-acetyl-2-alkylthio-4-aryl-6-methyl-1,4-dihydropyridine-3-carboxylic acid nitriles. A compound was obtained from 3,5-di(tert-butyl)-4-hydroxybenzaldehyde in the molecule of which were combined the active part of the antioxidant ionol and a 1,4-dihydropyridine ring. It was found that, among the compounds synthesized, the highest antiradical activity occurred in a compound having two hydroxyl groups in the 4-phenyl substituent. 相似文献
49.
50.
Ilyas S. Nizamov Georgiy G. Shumatbaev Ilnar D. Nizamov Yevgeniy N. Nikitin Timur G. Belov Marina P. Shulaeva 《Phosphorus, sulfur, and silicon and the related elements》2021,196(1):86-92
Abstract New chiral methylbenzylammonium salts of aryldithiophosphonic acids containing glucofuranose, allofuranose, and galactopyranose diacetonide substituents were obtained using (S)-(–)-α-methylbenzylamine, (R)-(+)-α-methylbenzylamine, and (R,S)-(±)-α-methylbenzylamine. Salts obtained possess antimicrobial activity. 相似文献