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111.
Li WC Lu AH Palkovits R Schmidt W Spliethoff B Schüth F 《Journal of the American Chemical Society》2005,127(36):12595-12600
In this study, we present a synthetic pathway for the fabrication of self-supporting zeolite monoliths consisting of crystallized nanoparticles. A resorcinol-formaldehyde-based organic aerogel is used as a template, and silicalite-1 is used as the zeolite example. The silicalite-1 monoliths obtained consist of individual well-defined zeolite nanocrystals with sizes of 30-40 nm. The monoliths exhibit a high mechanical stability and have hierarchical porosity, with micropores within the zeolite particles, a mesopore system formed by the packing of the nanoparticles, and a macropore system on the monolith level. Such monolithic zeolites show high selectivity typically above 80% to epsilon-caprolactam combined with a high rate of reaction of 0.46 g(caprolactame)/(g(catalyst).h) in the Beckmann rearrangement of cyclohexanone oxime. 相似文献
112.
Lee CK Holmes AB Ley SV McConvey IF Al-Duri B Leeke GA Santos RC Seville JP 《Chemical communications (Cambridge, England)》2005,(16):2175-2177
Suzuki cross-coupling reactions are effected in both conventional organic solvents, under continuous flow conditions at 70 degree C, and in batch mode in supercritical carbon dioxide (scCO2), at temperatures as low as 40 degrees C in the presence of palladium(II) acetate microencapsulated in polyurea [PdEnCat] and tetra-n-butylammonium salts. 相似文献
113.
114.
K. Wagner R. Lenz H. Gaedike Regina Müller W. Joachim 《Isotopes in environmental and health studies》2013,49(9-10):338-341
Es werden die Ergebnisse von Mischverfahren für Kohlepulver, Pech und andere Komponenten mitgeteilt, die unter Markierungen mit 24Na-Benzoat im Laboratorium (Mischvolumen etwa 1 Liter) und im Betrieb (Mischvolumen etwa 100 Liter) durchgführt wurden. Die Experimente dienten dem Vergleich der Vergleich der Wirksamkeit verschiedener Mischmaschinen, der Ermittlung optimaler Mischzeiten und der Bestimmung des Verhaltens einzelner Komponenten beim Mischprozeβ. Dis mittels Szintillationszählung gewonnenen Meβwerte werden dabei mit einem Ergebnisdrucker registriert und mit Hilfa einer Rechenanlage mathematisch ausfewertet. 相似文献
115.
Regina S. Burachik Alfredo N. Iusem Jefferson G. Melo 《Journal of Optimization Theory and Applications》2013,157(1):108-131
We consider a primal optimization problem in a reflexive Banach space and a duality scheme via generalized augmented Lagrangians. For solving the dual problem (in a Hilbert space), we introduce and analyze a new parameterized Inexact Modified Subgradient (IMSg) algorithm. The IMSg generates a primal-dual sequence, and we focus on two simple new choices of the stepsize. We prove that every weak accumulation point of the primal sequence is a primal solution and the dual sequence converges weakly to a dual solution, as long as the dual optimal set is nonempty. Moreover, we establish primal convergence even when the dual optimal set is empty. Our second choice of the stepsize gives rise to a variant of IMSg which has finite termination. 相似文献
116.
Izabela Regina Cardoso de Oliveira Daniel Furtado Ferreira 《Computational Statistics》2013,28(4):1663-1680
The noncentral gamma distribution can be viewed as a generalization of the noncentral chi-squared distribution and it can be expressed as a mixture of a Poisson density function with a incomplete gamma function. The noncentral gamma distribution is not available in free conventional statistical programs. This paper aimed to propose an algorithm for the noncentral gamma by combining the method originally proposed by Benton and Krishnamoorthy (Comput Stat Data Anal 43(2):249–267, 2003) for the noncentral distributions with the method of inversion of the distribution function with respect to the noncentrality parameter using Newton–Raphson. The algorithms are available in pseudocode and implemented as R functions. To evaluate the accuracy and speed of computation of the algorithms implemented in R, results of the distribution function, density function, quantiles and noncentrality parameter of the noncentral incomplete gamma and its particular case, the noncentral chi-squared, were obtained for the arguments settings used by Benton and Krishnamoorthy (Comput Stat Data Anal 43(2):249–267, 2003) and Chen (J Stat Comput Simul 75(10):813–829, 2005). The implemented routines performed well and, in general, were as accurate than other approximations. The R package denoted ncg is available to download on the CRAN-R package repository http://cran.r-project.org/. 相似文献
117.
Annibal Figueiredo Marcio T. de Castro Regina C.B. da Fonseca Iram Gleria 《Physics letters. A》2013,377(25-27):1571-1581
We investigate which type of diffusion equation is most appropriate to describe the time evolution of foreign exchange rates. We modify the geometric diffusion model assuming a non-exponential time evolution and the stochastic term is the sum of a Wiener noise and a jump process. We find the resulting diffusion equation to obey the Kramers–Moyal equation. Analytical solutions are obtained using the characteristic function formalism and compared with empirical data. The analysis focus on the first four central moments considering the returns of foreign exchange rate. It is shown that the proposed model offers a good improvement over the classical geometric diffusion model. 相似文献
118.
We present results from a study of meson ground and resonant states within a relativistic coupled-channel constituent-quark model. Along such an approach in particular the resonance character of hadron excitations can be fully taken into account. Thus it becomes possible to describe the decay of a hadron resonance into a lower lying state more realistically than in usual single-channel approaches. In a simplified model we demonstrate the viability and the advantages of our method by producing relativistic invariant results for the finite decay width of a meson resonance. 相似文献
119.
Dr. Reinald Fischer Dr. Helmar Görls Philippe R. Meisinger Regina Suxdorf Prof. Dr. Matthias Westerhausen 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(55):12830-12841
Systematic variation of the 1,4-dioxane (dx) concentration during the precipitation of sparingly soluble [MgBr2(dx)2] from ethereal Grignard solutions of RMgBr has allowed the structural investigation of crystallized [R2Mg(dx)n] (n=1, 1.5, 2, and 3), which form during this dioxane method, depending on the bulkiness of R. The numbering of the complexes explored in this study is based on the number n of dioxane molecules per magnesium atom, followed by the substituent R; an apostrophe denotes coordination polymers. The following derivatives were studied by X-ray crystal-structure determination and NMR spectroscopy: n=1: [Me2Mg(μ-dx)]∞ ( 1′-Me ) and [nPr2Mg(μ-dx)]∞ ( 1′-nPr ); n=1.5: [{iPr2Mg(dx)}2(μ-dx)] ( 1.5-iPr ), [{oTol2Mg(dx)}2(μ-dx)] ( 1.5-oTol ), and [(Me3Si-C≡C)2Mg(dx)1.5]∞ ( 1.5′-C2SiMe3 ); n=2: [tBu2Mg(dx)2] ( 2-tBu ) and [oTol2Mg(dx)2] ( 2-oTol ); n=3: [Ph2Mg(dx)3] ( 3-Ph ). In the structure types 1′ , 1.5 , and 2 , the magnesium atom exhibits the coordination number 4, whereas pentacoordinate metal atoms are observed in types 3 and 1.5′ . The structure type 2′ is realized for [(Ph-C≡C)2Mg(dx)2]∞ ( 2′-C2Ph ), [MgCl2(dx)2]∞ ( 2′-Cl ), and [MgBr2(dx)2]∞ ( 2′-Br ) with hexacoordinate metal atoms. The solubility of the dioxane adducts in common organic solvents strongly depends on the degree of aggregation with the solubility decreasing from molecular to strand to layer structures. 相似文献
120.
We present a modified optimal control scheme based on the Krotov method, which allows for strict limitations on the spectrum of the optimized laser fields. A frequency constraint is introduced and derived mathematically correct, without losing monotonic convergence of the algorithm. The method guarantees a close link to learning loop control experiments and is demonstrated for the challenging control of nonresonant Raman transitions, which are used to implement a set of global quantum gates for molecular vibrational qubits. 相似文献