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91.
XY4 Z molecules or ions with a square-pyramid structure (C4v) are relatively rare. This explains the infrequency of investigations of their vibrational spectra, with analysis in normal coordinates and computation of the mean-square amplitudes of vibration. 相似文献
92.
A fractional steps technique for the numerical solution of the shallow water equations is applied to study the water velocity in Lake Mariut, its concentration and the distribution of the temperature along it. Lake Mariut is considering the most productive natural systems in Egypt. The current configuration of this lake is changing rapidly, due to people’s activities and natural processes. Most of its water supply comes from polluted agricultural drains. Several problems affect the conservation of the Lake Mariut, mainly pollution, land reclamation, intensive aquatic vegetation, over fishing and coastal erosion. The shallow water equations for this lake are discretized on a fixed grid and time stepped with the fractional steps method, where the Riemann invariants of the equations are interpolated at each time step along the characteristics of the equations using a cubic spline interpolation. The method is efficient and simple, since it evolves the equations without the iterative steps involved in the multi-dimensional interpolation problem. The absence of iterative steps in the present technique makes it very suitable for the problems in which small time steps and grid sizes are required and the simplicity of the method makes it very suitable for parallel computer. Therefore, the method provides numerical algorithms which are more efficient than other classical schemes. 相似文献
93.
Temkin O. N. Zeigarnik A. V. Kuz"min A. E. Bruk L. G. Slivinskii E. V. 《Russian Chemical Bulletin》2002,51(1):1-36
The key approaches to the generation of reaction networks for the synthesis of products from CO and H2 are considered. The selection rules for the elementary steps on the surface of heterogeneous catalysts are formulated. Data on the surface compounds and steps related to reactions of CO and H2 are analyzed and a set of transforms (models of elementary steps) for generation of the reaction network are selected. Eight variants of generation of reaction networks for the formation of C1 products with different sets of transforms (12 to 31) were tested in computer experiments, and eight reaction networks comprising 34 substances and 132 to 1647 elementary steps were obtained. The pathways to CO2, CH4, and CH3OH and pairs of compounds CH4, CO2 and CH4, HCOOH obtained from the reaction network (220 elementary steps) are compared with the published schemes. 相似文献
94.
A new surface pretreatment for the preparation of wall-coated open tubular (WCOT) glass capillary columns has been evaluated. This technique involves the application of a non-extractable layer of Superox?-4, a 4,000,000 MW polyethylene glycol, to the glass surface as a pretreatment and deactivation agent. Unlike other polyethylene glycols, Superox-4 is stable at high temperatures (> 300°C) in the absence of oxygen, coats smoothly onto a bare glass surface and resists droplet formation. WCOT columns (SE-54, Carbowax 20M, and SP-2250) prepared using this technique are compared to columns prepared using a modified Grob [2,3] BaCO3 procedure. The Superox-4 pretreated columns were equal or superior in quality to the BaCO3 pretreated columns, based on the appearance of an activity standard and the effective theoretical plates (Neff) per meter. Chromatograms showing practical application of the WCOT columns prepared using both methods is given. 相似文献
95.
96.
97.
Filomena Teodoro Pedro M. Lima Neville J. Ford Patricia M. Lumb 《Frontiers of Mathematics in China》2009,4(1):155-168
This paper is concerned with the approximate solution of functional differential equations having the form: x′(t) = αx(t) + βx(t - 1) + γx(t + 1). We search for a solution x, defined for t ∈ [−1, k], k ∈ ℕ, which takes given values on intervals [−1, 0] and (k-1, k]. We introduce and analyse some new computational methods for the solution of this problem. Numerical results are presented
and compared with the results obtained by other methods.
相似文献
98.
The energy, angular distributions and trajectories of particles scattered on surfaces of Ni(100) and Cu(100), with both ideal and damaged, and semi-infinite and isolated atomic steps, have been calculated. It has been shown that from the correlation between the experimental and calculated energy distributions of the scattered particles, one may determine the spatial extension of the isolated atomic steps and the distance between them on the single crystal surface damaged by ion bombardment. The energy and angular distributions of ions dechanneled from semi-infinite steps on the GaP(100) surface have been presented. It has been shown that the dechanneling ions form the characteristic peaks in the angular and energy distributions of the scattered particles. 相似文献
99.
Yirang Yuan 《Numerical Methods for Partial Differential Equations》2003,19(1):67-88
The upwind finite difference fractional steps methods are put forward for the two‐phase compressible displacement problem. Some techniques, such as calculus of variations, multiplicative commutation rule of difference operators, decomposition of high‐order difference operators, and prior estimates, are adopted. Optimal order estimates in L2 norm are derived to determine the error in the approximate solution. This method has already been applied to the numerical simulation of seawater intrusion and migration‐accumulation of oil resources. © 2002 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 19: 67–88, 2003 相似文献
100.
Current-voltage characteristics of the surface intrinsic Josephson junctions under a magnetic field parallel to CuO_2 planes have been studied experimentally. Fiske steps in such a junction have been observed. The Swihart velocity for the junction is found to be 7.2×10^5m/s, which corresponds to the velocity mode of a single junction. 相似文献