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101.
102.
Boneva MP Christov NC Danov KD Kralchevsky PA 《Physical chemistry chemical physics : PCCP》2007,9(48):6371-6384
Here, we investigate experimentally and theoretically the motion of spherical glass particles of radii 240-310 microm attached to a tetradecane-water interface. Pairs of particles, which are moving toward each other under the action of lateral capillary force, are observed by optical microscopy. The purpose is to check whether the particle electric charges influence the particle motion, and whether an electric-field-induced capillary attraction could be detected. The particles have been hydrophobized by using two different procedures, which allow one to prepare charged and uncharged particles. To quantify the hydrodynamic viscous effects, we developed a semiempirical quantitative approach, whose validity was verified by control experiments with uncharged particles. An appropriate trajectory function was defined, which should increase linearly with time if the particle motion is driven solely by the gravity-induced capillary force. The analysis of the experimental results evidences for the existence of an additional attraction between two like-charged particles at the oil-water interface. This attraction exceeds the direct electrostatic repulsion between the two particles and leads to a noticeable acceleration of their motion. 相似文献
103.
Christomir Christov Andrew G. Dickson Nancy Moller 《Journal of solution chemistry》2007,36(11-12):1495-1523
In this paper, we describe the development of a thermodynamic model that calculates solute/solvent activities and solid-liquid equilibria in the acidic aluminum system, H-Al3+-Na-K-Cl-H2O, to high molality from 0?° to ≈100?°C. The model incorporates the concentration-dependent, specific interaction equations for aqueous solutions of Pitzer (Activity Coefficients in Electrolyte Solutions, 2nd edn., pp. 75–153, CRC Press, Boca Raton, 1991). Parameterization of this model adds Al3+ specific interactions in the binary Al-Cl-H2O and ternary Al-H-Cl-H2O, Al-Na-Cl-H2O and Al-K-Cl-H2O systems as well as the standard chemical potentials of AlCl3?6H2O(s) and Al(OH)3(s) (gibbsite) in the 0?° to 100?°C range to our variable temperature (0–250?°C) model of acid-base reactions in the H-Na-K-OH-Cl-HSO4-SO4-H2O system (Christov and Moller in Geochim. Cosmochim. Acta 68:1309, 2004). In constructing our aluminum model, we used Emf, osmotic, equilibrium constant and solubility data. New Emf measurements using the cell Pt|H2(g, 101.325 kPa)|HCl(m 1), AlCl3(m 2)|AgCl(s)|Ag|Pt at temperatures ranging from 0 to 45?°C and at total ionic strength ranging from 0.1 to 3 mol?kg?1 are presented. Gibbsite and boehmite, AlOOH(s), solubility data are used in testing the model. Limitations of the model due to data insufficiencies are discussed. 相似文献
104.
105.
106.
Interpolation theorems are proved for Sobolev spaces of functions on nonsmooth domains with vanishing trace on a part of the boundary. 相似文献
107.
Zdenk Toner Thomas Vosegaard Cindie Kehlet Navin Khaneja Steffen J. Glaser Niels Chr. Nielsen 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2009,197(2):120-134
We present the implementation of optimal control into the open source simulation package SIMPSON for development and optimization of nuclear magnetic resonance experiments for a wide range of applications, including liquid- and solid-state NMR, magnetic resonance imaging, quantum computation, and combinations between NMR and other spectroscopies. Optimal control enables efficient optimization of NMR experiments in terms of amplitudes, phases, offsets etc. for hundreds-to-thousands of pulses to fully exploit the experimentally available high degree of freedom in pulse sequences to combat variations/limitations in experimental or spin system parameters or design experiments with specific properties typically not covered as easily by standard design procedures. This facilitates straightforward optimization of experiments under consideration of rf and static field inhomogeneities, limitations in available or desired rf field strengths (e.g., for reduction of sample heating), spread in resonance offsets or coupling parameters, variations in spin systems etc. to meet the actual experimental conditions as close as possible. The paper provides a brief account on the relevant theory and in particular the computational interface relevant for optimization of state-to-state transfer (on the density operator level) and the effective Hamiltonian on the level of propagators along with several representative examples within liquid- and solid-state NMR spectroscopy. 相似文献
108.
109.
Loening NM Bjerring M Nielsen NC Oschkinat H 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2012,214(1):81-90
Three different techniques (adiabatic passage Hartman-Hahn cross-polarization, optimal control designed pulses, and EXPORT) are compared for transferring (15)N magnetization to (13)C in solid-state NMR experiments under magic-angle-spinning conditions. We demonstrate that, in comparison to adiabatic passage Hartman-Hahn cross-polarization, optimal control transfer pulses achieve similar or better transfer efficiencies for uniformly-(13)C,(15)N labeled samples and are generally superior for samples with non-uniform labeling schemes (such as 1,3- and 2-(13)C glycerol labeling). In addition, the optimal control pulses typically use substantially lower average RF field strengths and are more robust with respect to experimental variation and RF inhomogeneity. Consequently, they are better suited for demanding samples. 相似文献
110.
Christov IP 《The Journal of chemical physics》2012,136(3):034116
Here in this paper, it is shown how the quantum nonlocality reshapes probability distributions of quantum trajectories in configuration space. By variationally minimizing the ground state energy of helium atom, we show that there exists an optimal nonlocal quantum correlation length which also minimizes the mean integrated square error of the smooth trajectory ensemble with respect to the exact many-body wave function. The nonlocal quantum correlation length can be used for studies of both static and driven many-body quantum systems. 相似文献