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991.
H. Raissi A. F. Jalbout M. A. Nasseria M. Yoosefian H. Ghiassi A. J. Hameed 《International journal of quantum chemistry》2008,108(9):1444-1451
The intramolecular hydrogen bond strength of 3‐hydroxy‐propenethial (HPT) as well as the fluoro, chloro, bromo, and methyl derivatives were investigated at the B3LYP/6‐311++G** level of theory. Solvent‐based calculations (in water) for HPT and derivatives were also carried out. The nature of the intramolecular hydrogen bond existing within the molecular under investigation has been studied by means of the Bader theory of atoms in molecules (AIM) that is based upon the use topological properties in terms of the electron density. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008 相似文献
992.
The monomer‐dimer equilibrium of methylene blue (MB, Scheme I) has been investigated by means of UV‐Visible spectroscopy in aqueous solutions. The self aggregation of MB in water has been investigated by recording absorption spectra in the wavelength range of 450–750 nm, and in different ionic strengths using concentrated KCl solutions in the temperature range of 20–90°C. Chemometrics analysis of the spectral data gave a dimerization constant, individual spectra of the monomer and dimer forms of the dye molecule. The quantitative analysis of the data of the undefined mixture was carried out by simultaneous resolution of the overlapping spectral bands in the whole set of absorption spectra. The dimerization constants of MB determined by mathematical deconvolution of the thermometric spectral titration data show dependency on temperature variations. The concentration range of MB was 6.00 × 10?5‐3.00 × 10?4 M. Utilizing the van't Hoff relation, which describes the dependence of the equilibrium constant on temperature, the thermodynamics parameters ΔH° and ΔS° of the aggregation process were determined. The compensation effect was verified by the thermodynamics results of the dimerization process of the dye. 相似文献
993.
ZnO–glass fiber–unsaturated polyester composites have been prepared. On exposure to the metal halide lamp, their resistance to ultraviolet (UV) degradation is evaluated. Experimental results show that ZnO can reduce the UV degradation of the unsaturated polyester matrix. ZnO can significantly retard the UV degradation process of the matrix resin, and can also increase the impact strength of the composites under the experimental conditions. Differential scanning calorimetry (DSC) analyses also indicate that the addition of ZnO to unsaturated polyester may retard the crosslink process and catalyze the decomposition of the resin. However, after more than 40 hr of UV irradiation, it was crosslinked. SEM fracture morphology shows that nano ZnO could hinder crack growth and induce more cracks, and when the content of ZnO reaches 6 wt%, the impact fracture mechanism changes abruptly and plastic deformation appears, which indicates that 6 wt% for ZnO in unsaturated polyester could be considered as the critical content. Around the critical content, the particles are near enough to interact with each other and this results in the change of fracture mechanism. The results also indicate that the proper content of ZnO added into an unsaturated polyester could prolong the durability and lessen the reject rate of transparent glass fiber–polyester composites. Copyright © 2008 John Wiley & Sons, Ltd. 相似文献
994.
Lahav M Leiserowitz L 《Angewandte Chemie (International ed. in English)》2008,47(20):3680-2; author reply 3683-6
995.
The first molal hydrolysis quotient, Q1.1, of Mg2+ was measured potentiometrically from 1 to 250°C at ionic strengths of 0.11, 0.31, 1.01, and 5.0 mol-kg-1 in an aqueous NaCl medium using a hydrogen-electrode, concentration cell. Only hydrolysis of the first four percent of the magnesium in solution could be followed before precipitation of brucite, Mg(OH)2(cr), occurred. The log Q1.1 values were fitted as a function of temperature and ionic strength using four adjustable parameters. The resulting constants are compared with the limited existing low temperature data. At infinite dilution and 25°C the following quantities are reported: logK 1.1 = -11.68±0.05, †Hso = 70.1±1.2 kJ-mol-1, †So = 11±4 J-K-1-mol-1, and †C p o = 0 J-K-1-mor-1. At each ionic strength, including the values extrapolated to infinite dilution, the heat capacity change for the hydrolysis reaction was zero,i.e., logQ 1.1 was found to be a linear function of the reciprocal temperature in Kelvin, at least over the measured range of l-250°C. The hydrolysis constants at infinite dilution were modeled to 550°C and two kbar pressure with a function incorporating solvent density using published results obtained at these extreme conditions. 相似文献
996.
Concetta De Stefano Claudia Foti Antonio Gianguzza Francesca Marrone Silvio Sammartano 《应用有机金属化学》1999,13(11):805-811
The hydrolysis of methyltin(IV) trichloride (CH3SnCl3) has been studied in aqueous NaCl and NaNO3 solutions (0 < I/mol dm−3 ≤ 1), at different temperatures (15 ≤ T/°C ≤ 45) bypotentiometric measurements (H+‐glass electrode). By considering the generic hydrolytic <?tw=97.2%>reaction pCH3Sn3+ + qH2O = (CH3Sn)p(OH)q3p−q<?tw>+ qH+ (logβpq), we have the formation of five species and logβ12 = −3.36, logβ13 = −8.99, logβ14 = −20.27 and logβ25 = −7.61. The first hydrolysis step is measurable only at very low pH values and was not determined: a rough estimate of the hydrolysis constant is logβ11 = −1.5 (± 0.5). The dependence on ionic strength of logβpq is quite different in NaNO3 and NaCl solutions, and the formation at low pH values of the species CH3Sn(OH)Cl+ has been found with logβ = −1.40. Hydrolysis constants strongly depend on temperature and from the relationships logβpq = f(T), ΔH ° values have been calculated. Speciation problems of CH3Sn3+ in aqueous solution are discussed. Copyright © 1999 John Wiley & Sons, Ltd. 相似文献
997.
On Tantalates and Niobates ‘rich in Cations’. On Na5TaO5 and Na5NbO5 Colourless, transparent single crystals of Na5TaO5 [annealed mixtures of Na2O, Li2O, and Ta2O5, Na : Li : Ta = 6.6 : 1.1 : 1, Ni-cylinder, 1000°C, 75 d] as well as Na5NbO5 [annealed mixtures of Na2O, Li2O, and Nb2O5, Na : Li : Nb = 6.6 : 1.1 : 1, Ni-cylinder, 1000°C, 75 d] have been prepared. Single crystal data show that both isotypic oxides represent a deformed variant of the NaCl-type of structure [Na5TaO5: 1154 from 1250 I0 (hkl), four-cycle diffractometer Philips PW 1100, ω2-θ scan, Ag? Kα , R = 4.88%, space group c2/c with a = 629.3(1) pm, b = 1025.4(2) pm, c = 1004.6(2) pm, b? 106.80(2)°, z = 4 and Na5NbO5: 998 from 1247 I0(hkl), four-cycle diffractometer Philips PW 1100, ω-2θ scan, Ag? Kα , R = 8.58% and Rw = 7.67%, space group C2/2 with a = 629.1(1) pm, b = 1024.4(2) pm, c = 1004.2(2) pm, b? = 106.80(2)°, Z = 4]. The Madelung Part of Lattice Energy, MAPLE, and Effective Coordination Numbers, ECoN, the latter derived from Mean Effective Fictive Ionic Radii, MEFIR, as well as Charge Distribution, CHARDI, are calculated. 相似文献
998.
Irada S. Isayeva Alan N. Gent Joseph P. Kennedy 《Journal of polymer science. Part A, Polymer chemistry》2002,40(12):2075-2084
A series of amphiphilic hydrogel tubules have been prepared by copolymerizing/crosslinking hydrophilic poly(dimethylacrylamide) segments with hydrophobic di‐, tri‐, and octamethacrylate‐telechelic polyisobutylene crosslinkers, and their elastic modulus and burst strength in the water‐swollen state were investigated. Because the burst characteristics of hydrogels have not yet been quantitatively investigated, equipment was designed and built to generate fundamental insight into the burst properties of thin‐walled (200–250 μm) narrow lumen (2–3 mm i.d.) water‐swollen tubules. The theory developed to describe quantitatively the inflation behavior of thin‐walled rubber tubules was adapted to treat our experimental observations. Changes in the burst strength, elastic modulus, and expansion during the inflation of hydrogel tubules were interpreted in terms of the molecular weight of the hydrophilic segments between crosslinking sites (Mc,hydrophilic), which in turn was calculated according to the rubber elasticity theory. According to these investigations, the burst strength of our water‐swollen amphiphilic tubules is in the 0.2–0.5 MPa range, which is sufficient for implantation and immunoisolatory applications. © 2002 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 40: 2075–2084, 2002 相似文献
999.
Tooru Kitagawa Kohji Tashiro Kazuyuki Yabuki 《Journal of Polymer Science.Polymer Physics》2002,40(13):1281-1287
Fourier transform Raman spectra were measured for poly‐p‐phenylenebenzobisoxazole (PBO) fiber subjected to a tensile stress, and the Raman shift factor (the frequency shift caused by 1 GPa tensile stress) depended strongly on the sample‐preparation condition. To clarify the reasons of this dependency, a mechanical series parallel model was adopted that could successfully and quantitatively explain the observed Raman shift factors and gave a concreate heterogeneous stress distribution in the PBO fibers. As a result, a mechanical series model was reasonable for PBO fiber. Broadening of Raman bands, which was observed when the PBO fiber was tensioned, could also be interpreted on the basis of an idea of heterogeneous stress distribution. © 2002 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 40: 1281–1287, 2002 相似文献
1000.
J.M. Vazquez-Rodríguez P.J. Herrera-Franco P.I. Gonzalez-Chi 《Macromolecular Symposia》2004,216(1):117-130
The interfacial shear strength of a pull out model between a thermoplastic fiber and thermoset matrix was analyzed. The method to analyze the interfacial quality in this kind of composite was Photoelasticity. The interfacial shear strength was measured localizing the isocromatic fringes. The Isochromatic fringe corresponds to the points along the specimen in which the principal stresses have the same value. 相似文献