Novel series of 8H-quinazolino[4,3-b]quinazolin-8-ones via two Niementowski condensations

Efficient microwave-assisted multi-step synthesis of 8H-quinazolino[4,3-b]quinazolin-8-one was investigated. The synthesis involved two Niementowski condensations from anthranilic acids. Homogeneous or heterogeneous conditions were studied with the aim to develop convenient syntheses of the desired compounds.     

Numerical Experiments with Various Formulations for Two Phase Flow in Petroleum Reservoirs*

Two phase immiscible flow in petroleum reservoirs is considered. Various formulations of the governing equations that describe this flow, including phase, global, and weighted formulations, are numerically experimented. Mixed finite element methods are used to solve these formulations. Our experiments show that the numerical results obtained using the phase and global formulations match well in terms of production rates, characterization curves, and water cuts.     

Numerical simulation of the unsteady behaviour of cavitating flows

A 2D numerical model is proposed to simulate unsteady cavitating flows. The Reynolds‐averaged Navier–Stokes equations are solved for the mixture of liquid and vapour, which is considered as a single fluid with variable density. The vapourization and condensation processes are controlled by a barotropic state law that relates the fluid density to the pressure variations. The numerical resolution is a pressure‐correction method derived from the SIMPLE algorithm, with a finite volume discretization. The standard scheme is slightly modified to take into account the cavitation phenomenon. That numerical model is used to calculate unsteady cavitating flows in two Venturi type sections. The choice of the turbulence model is discussed, and the standard RNG k–εmodel is found to lead to non‐physical stable cavities. A modified k–εmodel is proposed to improve the simulation. The influence of numerical and physical parameters is presented, and the numerical results are compared to previous experimental observations and measurements. The proposed model seems to describe the unsteady cavitation behaviour in 2D geometries well. Copyright © 2003 John Wiley & Sons, Ltd.     

Cu-系高温超导系列

 简要介绍了利用高温高压合成发现的超导系列CuBa₂Ca_n-1Cu_nO_2n+2+δ，即Cu-12n（三元数法）或Cu-12(n-1)n（四元数法），简称Cu-系。比较了Cu-系和其它主要高温超导体的结构和主要性质，指出了Cu-系和YBa₂Cu₃O₆的同构关系，以及Cu-系具有的良好的高温高场特性。Cu-系超导体因仅含碱土和铜的氧化物，化学组成简单、经济、安全，具有潜在的应用开发前景。     

Geometrical Decomposition of the Free Loop Space on a Manifold with Finitely Many Closed Geodesics

In Morse theory an isolated degenerate critical point can be resolved into a finite number of nondegenerate critical points by perturbing the totally degenerate part of the Morse function inside the domain of a generalized Morse chart. Up to homotopy we can admit pertubations within the whole characteristic manifold. Up to homotopy type a relative CW-complex is attached, which is the product of a big relative CW-complex, representing the degenerate part, and a small cell having the dimension of the Morse index.     

Mechanism of the formation of singularities for quasilinear hyperbolic systems with linearly degenerate characteristic fields

One often believes that there is no shock formation for the Cauchy problem of quasilinear hyperbolic systems (of conservation laws) with linearly degenerate characteristic fields. It has been a conjecture for a long time (see Arch. Rational Mech. Anal. 2004; 172 :65–91; Compressible Fluid Flow and Systems of Conservation Laws in Several Space Variables. Springer: New York, 1984) and it is still an open problem in the general situation up to now. In this paper, a framework to justify this conjecture is proposed, and, by means of the concept such as the strict block hyperbolicity, the part richness and the successively block‐closed system, some general kinds of quasilinear hyperbolic systems, which verify the conjecture, are given. Copyright © 2007 John Wiley & Sons, Ltd.     

Two-photon spectroscopy of SnO2 under hydrostatic pressure

The pressure shift of S excitons in the rutile-type semiconductor tin oxide (SnO₂) is measured by two-photon absorption. From these data the pressure coefficients of the band gap (62.0 meV/GPa) and of the exciton binding energy (0.87 meV/GPa) are determined.     

Substitutional adsorption of K on Fe(100)

The adsorption of potassium on Fe(100) was studied by time-of-flight forward scattering and recoiling spectroscopy (TOF-SARS), low energy electron diffraction (LEED) and Auger electron spectroscopy (AES). After heating to 650 K of the potassium saturated surface the formation of a p(3 × 3) potassium superstructure was observed by LEED. TOF-SARS experiments ruled out the adsorption of potassium in the on-top, bridge and four-fold hollow site. The only site which is in agreement with all experimental results is the substitutional site where K replaces an Fe atom of the topmost layer of the crystal. This is the first time a substitutional adsorption site has been found on a bcc surface. On an fcc surface such an adsorption site has been found recently for adsorption of sodium and potassium on Al(111).     

The adsorption and decomposition of NO on Pd(110)

The sticking probability of nitric oxide (NO) on Pd(110) and the relative selectivity of the surface to nitrogen (N₂) and nitrous oxide (N₂O) production has been measured as a function of coverage and as a function of surface and gas temperatures using a molecular beam. It is found that, at low temperatures (<440 K), molecular adsorption occurs with an initial sticking probability of 0.40 ± 0.02, rising quickly to a maximum of about 0.48 ± 0.02 as coverage increases before falling towards saturation. Following adsorption at 170 K four distinct adsorption sites can be identified by subsequent TPD. Hence, if beaming occurs at a temperature above the TPD peak due to a given site, then that site cannot be populated and the saturation coverage is found to be reduced. At higher temperatures (440–650 K) the sticking probability is seen to decrease continuously as a function of coverage. At a given NO uptake, the sticking probability falls with temperature indicating that the rate of NO desorption is significant in this temperature range. In addition, dissociation occurs leading to the desorption of nitrogen and nitrous oxide leaving only oxygen adatoms on the surface. The oxygen adatoms poison further reaction but can be cleaned off, even at the lowest temperature at which dissociation occurs, by hydrogen or carbon monoxide. At the low temperature end of this range more nitrous oxide is produced than nitrogen but this ratio falls with temperature until, above 600 K, there is 100% selectivity to the production of nitrogen which we propose is due to the low lifetime of molecular NO on the surface. However, at such high temperatures, reaction only occurs on a few sites probably located at the few step edges present on the crystal.     

Effects of high pressure on the Raman and fluorescence emission spectra of two novel 1,3,4-oxadiazole derivatives

The effects of pressure on the fluorescence emission and Raman spectra of 1,4-bis[（4-methyloxyphenyl）-1,3,4-oxadiazolyl]- 2,5-bisheptyloxyphenylene （OXD-2） and on the fluorescence emission spectra of 1,4-bis[（4-methylphenyl）- 1,3,4-oxadiazolyl]phenylene （OXD-1） are investigated using a diamond anvil cell. With the increase of pressure, the intensity of the fluorescence emission increases and reaches maxima at 13GPa for OXD-1 and at 9.6GPa for OXD-2. The effect of pressure on the peak position of the emission shows a similar trend, red shift with the increase of pressure. But at higher pressures, the intensity of emission drops down dramatically. The Raman spectra of OXD-2 indicate that there appears a structural change at ca 3GPa.