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961.
962.
963.
介绍了一种数据采集系统,阐述了系统组成、实现和主要功能,并结合梯度稀释技术介绍了其在火电厂炉水磷酸根测定中的应用. 相似文献
964.
Methods for the removal of small symmetric matrix elements based on the Euclidean norm of the error matrix are presented in this article. In large scale Hartree-Fock and Kohn-Sham calculations it is important to be able to enforce matrix sparsity while keeping errors under control. Truncation based on some unitary-invariant norm allows for control of errors in the occupied subspace as described in (Rubensson et al. J Math Phys 49, 032103). The Euclidean norm is unitary-invariant and does not grow intrinsically with system size and is thus suitable for error control in large scale calculations. The presented truncation schemes repetitively use the Lanczos method to compute the Euclidean norms of the error matrix candidates. Ritz value convergence patterns are utilized to reduce the total number of Lanczos iterations. 相似文献
965.
Kateryna E. Gubina Oleg A. Maslov Elizaveta A. Trush Victor A. Trush Vladimir A. Ovchynnikov Svetlana V. Shishkina Vladimir M. Amirkhanov 《Polyhedron》2009,28(13):2661-2666
This paper presents examples of mixed-ligand Co(II), Cu(II), Ni(II) and Mn(II) complexes, with a distorted octahedral coordination geometry, with 2,2′-dipyridyl or 1,10-phenanthroline and phosphortriamide ligands. The complexes of the general type ML2·Lig (where M = Co(II), Cu(II), Ni(II), Mn(II); L− = {Cl3C(O)NP(O)R2}− (R = NHBz, NHCH2CHCH2, NEt2); Lig = 2,2′-dipyridyl or 1,10-phenanthroline) were synthesised and characterised by means of X-ray diffraction, IR and UV–Vis spectroscopy. The phosphortriamide ligands are coordinated via oxygen atoms of phosphoryl and carbonyl groups involved in six-membered metal cycles. The additional ligands 2,2′-dipyridyl or 1,10-phenanthroline are coordinated to the central atom, forming five-membered cycles. 相似文献
966.
Chien-Bin Soo Elise El Ahmar Christophe Coquelet Deresh Ramjugernath Dominique Richon 《Fluid Phase Equilibria》2009
Vapor–liquid equilibrium (VLE) data are presented for the n-butane + ethanol system in the temperature range from 323 to 423 K. Measurements were performed using a “static-analytic” apparatus, equipped with two electromagnetic ROLSI™ capillary samplers, and thermally regulated via an air bath. This work presents vapor compositions which have not been explicitly measured previously. The modeling of the data was performed using two models: the Peng–Robinson equation of state with the Wong and Sandler mixing rule and NRTL excess function (PR/WS/NRTL); and the perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state. To assess the effect of dipole–dipole interactions present, a dipolar contribution developed by Jog and Chapman (1999) [20] was tested with the second model. Temperature dependent binary interaction parameters have been adjusted to the new data. The PR/WS/NRTL equation of state shows good correlation with the results, while the PC-SAFT is slightly less accurate. 相似文献
967.
Daniel Gromadzki Sergey Filippov Ri?ardas Makuška Josef Pleštil Petr Št?pánek 《European Polymer Journal》2009,45(6):1748-5687
We report on solution properties of lightly grafted copolymers composed of polystyrene (PS) backbone (degree of polymerization of PS backbone, Nb=95) and variable length of poly(tert-butyl methacrylate) P(tBuMA) side chains (degree of polymerization of side chains, Nsc=14-222) at fixed number of grafting sites n = 11 and polydispersity index (Mw/Mn) ranging from 1.05 to 2.63. Synthesis of these graft copolymers is based on a novel synthetic route [Gromadzki D, Makuška R, Netopilík M, Holler P, Lokaj J, Janata M, et al. Eur Polym J 2008;44:59-71] involving two independent controlled/“living” polymerization mechanisms, namely nitroxide-mediated radical polymerization (NMP) for the synthesis of the backbone and photoinduced “grafting from” iniferter process for building of P(tBuMA) branches. The viscosity-related contraction factors g′<1 confirmed high degree of branching of the studied graft copolymers. Dilute solutions of graft copolymers in non-selective solvent (THF), examined by dynamic light scattering (DLS), small-angle X-ray scattering (SAXS) and viscometry, revealed a transition from comb-like conformation through wormlike-star to a microgel architecture under increasing number of monomeric units in side chains. These data were further supported by the structure factors Rη/Rh and Rg/Rh obtained by independent measurements and extrapolated to infinite dilution. Persistence lengths of the samples exhibiting comb-like topology were larger compared to linear polystyrene backbone and P(tBuMA) side chains in THF suggesting stiffening of the main chain with increasing size of the attached side chains. Unimolecular micelles were detected by DLS and SAXS in solvent selective for grafts, tert-amyl alcohol. 相似文献
968.
对全国各地用原子吸收光谱仪测定10批次大活络丸中12种无机元素及建立的指纹图谱,尝试用成分数据分析法、向量相似法和模糊聚类法建立全国无机元素的指纹图谱和中药质量控制标准方法,获得较满意的结果。研究表明,建立无机元素指纹图谱控制中成药中无机元素的质量,具有很好的实用性和可操作性,用于全国各地不同厂家生产的大活络丸无机元素的质量控制是切实可行的。 相似文献
969.
970.
We consider the weakly singular boundary integral equation on a deterministic smooth closed curve with random loading g(ω). Given the kth order statistical moment of g, the aim is the efficient deterministic computation of the kth order statistical moment of u. We derive a deterministic formulation for the kth statistical moment. It is posed in the tensor product Sobolev space and involves the k-fold tensor product operator . The standard full tensor product Galerkin BEM requires unknowns for the kth moment problem, where N is the number of unknowns needed to discretize Γ. Extending ideas of [V.N. Temlyakov, Approximation of functions with bounded mixed derivative, Proc. Steklov Inst. Math. (1989) vi+121. A translation of Trudy Mat. Inst. Steklov 178 (1986)], we develop the p-Sparse Grid Galerkin BEM to reduce the number of unknowns from to . 相似文献