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排序方式: 共有186条查询结果,搜索用时 15 毫秒
1.
W. Kunz J. Barthel L. Klein T. Cartailler P. Turq B. Reindl 《Journal of solution chemistry》1991,20(9):875-891
A variety of methods has been used for the study of lithium bromide solutions in acetonitrile yielding by their combination reliable information on different levels of approximation. Osmotic coefficients based on precise vapor pressure measurements are reproduced by CM (chemical model) and HNC (hypernetted chain) calculations and by BD (brownian dynamics) simulations. The results of neutron scattering experiments are treated with the help of HNC and BD methods. Hartree-Fock calculations on isolated LiBr pairs and solvated lithium ions yield reliable particle distances and reveal the geometry of the lithium solvation sphere. 相似文献
2.
Complex permittivity spectra in the frequency range 0.95v (GHz)89 for acetonitrile and its solutions of LiBr, NaI, NaClO4, and Bu4NBr at 25°C show one Debye equation for the neat solvent whereas the superposition of a Debye process for the solute and a Cole-Cole distribution for the solvent is necessary to account for the dielectric relaxation behavior of the solutions. The reorientation of bulk acetonitrile is diffusive and only weakly coupled to viscosity. The number of solvent molecules irrotationally bound to the electrolyte is in good agreement with conventional solvation numbers for all electrolytes, when kinetic depolarization is assumed to be negligible. The solute relaxation process is dominated by the formation kinetics and reorientation of contact ion pairs. There is evidence for solvent-shared ion pairs in dilute NaClO4 solutions. 相似文献
3.
M. Bešter-Rogač M. Tomšič J. Barthel R. Neueder A. Apelblat 《Journal of solution chemistry》2002,31(1):1-18
Conductivity measurements of oxalic acid and neutral oxalates (disodium oxalate, dipotassium oxalate, dicesium, and diammonium oxalate) were performed on dilute aqueous solutions, c < 3 × 10–3 mol-dm–3, from 5 to 35°C. These data and those available from the literature were analyzed in terms of dissociation steps of oxalic acid, the Onsager conductivity equation for neutral oxalates, the Quint–Viallard conductivity equation for the acid, and the Debye–Hückel equation for activity coefficients, to give the limiting equivalent conductances of bioxalate anion ;(HC2O4
–) and oxalate anion (1/2C2O4
2–) and the corresponding dissociation constants K
1 and K
2. 相似文献
4.
Precise conductance measurements on aqueous potassium chloride solutions at 0, 10, 18, and 25°C have been made under various conditions over a concentration range 10?4?2 mole-dm?3, yielding the conductance equations $$\begin{gathered} 25^\circ C:\Lambda = 149.873 - 95.01\sqrt c + 38.48c log c + 183.1c - 176.4c^{3/2} \hfill \\ 18^\circ C:\Lambda = 129.497 - 80.38\sqrt c + 32.87c log c + 154.3c - 143.0c^{3/2} \hfill \\ 10^\circ C:\Lambda = 107.359 - 64.98\sqrt c + 27.07c log c + 125.4c - 110.3c^{3/2} \hfill \\ 0^\circ C:\Lambda = 81.700 - 47.80\sqrt c + 20.60c log c + 93.8c - 79.3c^{3/2} \hfill \\ \end{gathered} $$ which are proposed for calibration of conductance cells. 相似文献
5.
Vapor pressure measurements and small angle scattering (SANS) experiments are reported and discussed for bispiperidinium (BP) bromide and n-tetrapentylammonium bromide solutions in methanol at 25°C. The BP+ ion which may be considered as a tetraalkylammonium (TAA) ion with pairwise connected alkyl chains, is used for the study of the effects due to flexible TAA alkyl chains. SANS intensities are calibrated with the help of the precise osmotic coefficients from the vapor pressure measurements. 相似文献
6.
7.
In order to predict the effective material properties of a short-fiber reinforced polymer (SFRP), homogenization of elastic properties with the self-consistent (SC) scheme and the interaction direct derivative (IDD) method is performed by means of µCT data describing the microstructure of the composite material. Using dynamic mechanical analysis (DMA), the material properties of both, polypropylene and fiber reinforced polypropylene are investigated by tensile tests under thermal load. The measured storage modulus of the matrix material is used as input parameter for the homogenization scheme. The effective properties of SFRP are compared to experimental results from DMA. (© 2015 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
8.
K. Schmale J. Barthel M. Bernemann M. Grünebaum S. Koops M. Schmidt J. Mayer H. -D. Wiemhöfer 《Journal of Solid State Electrochemistry》2013,17(11):2897-2907
In this work, fresh and CO2-exposed specimens of Ba0.5Sr0.5Co0.8Fe0.2O3–δ (BSCF) are examined by atomic force microscopy (AFM) using amplitude-modulated Kelvin probe force microscopy (KPFM) and also electrostatic force microscopy (EFM) to characterize the early stages of the formation of reaction products due to reaction with gaseous CO2. A comparison is made with results from electron microscopy on the same samples. BSCF specimens exposed for 24 and 240 h to an atmosphere of 99.9 % CO2 at 900 °C, respectively, were analyzed and compared with non-exposed specimens. The observation of interconnected carbonate islands on BSCF forming a continuous carbonate layer after some exposure to CO2 indicates a Stranski–Krastanov or Volmer–Weber growth mechanism of the carbonate layer. Our results demonstrate that the measurement of surface potential variations by means of KPFM and EFM constitutes a very sensitive technique to detect the formation of reaction layers on gas permeation membranes such as BSCF. In contrast to electron microscopy techniques, scanning probe techniques permit the investigation of the topography and of electrochemical characteristics of the sample surface as received and without further preparation. 相似文献
9.
G.?FischerEmail author R.?Barthel G.?Seifert 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2005,35(3):479-481
Both a quantum molecular dynamic method and high level ab initio calculations (MP2, CCSD(T)) have
been used to investigate the mechanism of the C3 + H3+ reaction, which is part of the ion
chemistry in interstellar clouds. Furthermore statistic initial orientations in collision simulations
have been set up in order to determinate reaction cross-sections and rate coefficients of all occurring
reaction channels. Our analysis shows that the revealed mechanism is
strongly determined by dynamic effects. 相似文献
10.
The preparation of (octaaryltetraazaporphyrinato)indium(III) chlorides [aryl = phenyl (5a), p-tert-butylphenyl (6a), p-(trifluoromethyl)phenyl (7a), m-(trifluoromethyl)phenyl (8a)] and their reactions with aryl Grignard reagents XMgBr to give 5b-8b [X = p-(trifluoromethyl)phenyl] and 5c (R = 3,5-difluorophenyl) are described. The characterization of all compounds by UV-vis, FT-IR, and (1)H and (13)C NMR spectroscopy was performed. The hypsochromic shift of all bands in the absorption spectra of complexes 5a-8a is observed in the sequence 6a < 5a < 7a approximately 8a. This is associated with the increasing electron-withdrawing character of the aryl substituents in the periphery of the tetraazaporphyrin macrocycle. Compounds 8a,b are very good soluble in organic solvents with 8a exhibiting the higher photochemical stability among the various synthesized species. The optical limiting (OL) properties of the complexes have been studied and correlated with the structure of the (tetraazaporphyrinato)indium(III) complexes and the electronic nature of the different substituents. In particular, the OL effect at 532 nm increases on going from the series of compounds 5 to the series 8. 相似文献