Numerical Simulation of Gaseous Detonation of H_2-O_2 Mixture with Detailed Chemical Reaction Model

采用高精度的ENO格式和基于基元化学反应的真实化学反应模型求解氢氧混合气体一维爆轰波的精细结构。采用直接起爆方法得到稳定传播的爆轰波,计算的爆轰波阵面参数和实验相当符合。对爆轰波反应区化学反应的研究表明,参与反应的不同组分具有不同类型的变化特征。网格尺寸影响的研究表明,计算结果的精度随着网格尺寸的增加而增加,并能保持较好的收敛性。移动网格研究结果表明,网格运动速度和爆轰速度接近时,两者的相互作用对计算结果产生一定影响。

Growth of bulk single crystals beta-FeSi2 by chemical vapour deposition

Bulk single crystals b-FeSi2, as a new photoelectric and thermoelectric material, has been successfully grown using chemical vapor transport technique by using iodine as transport agent in a sealed ampoule. The effects of crystal growth condition on quality and morphologies of the single crystals were studied. Both needle-like and grain-like single crystals were gained. By changing substrate temperature, tetrahedral high quality a-FeSi2 single crystals were also obtained.

Performance analyses of flowing chemical oxygen-iodine laser

A modified simplified rate-equation model that utilizes the Voigt profile function and another gain saturation model deduced from the kinetic equations are presented for performance analyses of a flowing chemical oxygen-iodine laser. Both models are adapted to both the condition of homogeneous broadening and that of inhomogeneous broadening being of importance and the condition of inhomogeneous broadening being predominant. Effects of temperature and iodine density on the output power and on variations of output power, optical intensity, and saturation intensity with flow distance are presented as well. There are differences between results of two models, but both qualitatively agree with known results.

Chemical kinetics and self-ignition in a model supersonic hydrogen-air combustor

Self-ignition tests of a model scramjet combustor were conducted by using parallel sonic injection of gaseous hydrogen from the base of a blade-like strut into a supersonic vitiated airstream. The range of stagnation pressure and temperature studied varied from 1.0 to 4.5 MPa and from 1300 to 2200 K, respectively. Experimental results show that the self-ignition limit, in terms of either global or local quantities of pressure and temperature, exhibits a nonmonotonic behavior resembling the classical homogeneous explosion limit of the hydrogen-oxygen system. Specifically, for a given temperature, increasing pressure from a low value can render a nonignitable mixture to first become ignitable, then nonignitable again, This correspondence shows that, despite the globally supersonic nonpremixed configuration studied herein, ignition is strongly influenced by the intricate chemical reaction mechanism and thereby exhibits the homogeneous explosion character. Consequently, self-ignition criteria based on a global reaction rate approximating the complex chemistry are inadequate. An auxiliary computational study on counterflow ignition was also conducted to systematically investigate the contamination effects of vitiated air. Results indicate that the net contamination effects for the present experimental data are expected to be substantially smaller than contributions from the individual contamination species because of the counterbalancing influences of the H2O-inhibition and NO-promotion reactions in effecting ignition.

Cross-relaxation dynamics on anomalous saturation processes in low pressure supersonic cw HF chemical laser amplifier

It is assumed that both translational and rotational nonequilibrium cross-relaxations play a role simultaneoulsy in low pressure supersonic cw HF chemical laser amplifier. For two-type models of gas flow medium with laminar and turbulent flow diffusion mixing, the expressions of saturated gain spectrum are derived respectively, and the numerical calculations are performed as well. The numerical results show that turbulent flow diffusion mixing model is in the best agreement with the experimental result.

Effects of Translational Nonequilibrium on Performance of Flowing Chemical Oxygen-Iodine Laser

The effect of the translational nonequilibrium on performance modeling of flowing chemical oxygen-iodine lasers (COIL) is emphasized in this paper. The spectral line broadening (SLB) model is a basic factor for predicting the performances of flowing COIL. The Voigt profile function is a well-known SLB model and is usually utilized. In the case of gas pressure in laser cavity less than 5 torr, a low pressure limit expression of the Voigt profile function is used. These two SLB models imply that ail lasing particles can interact with monochromatic laser radiation. Basically, the inhomogeneous broadening effects are not considered in these two SLB models and they cannot predict the spectral content. The latter requires consideration of finite translational relaxation rate. Unfortunately, it is rather difficult to solve simultaneously the Navier-Stokes (NS) equations and the conservation equations of the number of lasing particles per unit volume and per unit frequency interval. In the operating condition of flowing COIL, it is possible to obtain a perturbational solution of the conservational equations for lasing particles and deduce a new relation between the gain and the optical intensity, i.e., a new gain-saturation relation. By coupling the gain-saturation relation with other governing equations (such as the NS equations, chemical reaction equations and the optical model of gain-equal-loss), We have numerically calculated the performances of flowing COIL. The present results are compared with those obtained by the common rate-equation (RE) model, in which the Voigt profile function and its low pressure limit expression are used. The difference of different model's results is great. For instance, in the case of lasing frequency coinciding with the central frequency of line profile and very low gas pressure, the gain-saturation relation of the present model is quite different with that of the RE model.

Immunosensor Interface Based on Physical and Chemical Immunogylobulin G Adsorption onto Mixed Self-Assembled Monolayers

An immunosensor interface based on mixed hydrophobic self-assembled monolayers (SAMs) of methyl and carboxylic acid terminated thiols with covalently attached human Immunoglobulin G (hIgG), is investigated. The densely packed and organised SAMs were characterised by contact angle measurements and cyclic voltammetry. The effect of the non-ionic surfactant, Tween 20, in preventing nonspecific adsorption is addressed by ellipsometry during physical and covalent hIgG immobilization on pure and mixed SAMs, respectively. It is clearly demonstrated that nonspecific adsorption due to hydrophobic interactions of hIgG on methyl ended groups is totally inhibited, whereas electrostatic/hydrogen bonding interactions with the exposed carboxylic groups prevail in the presence of surfactant. Results of ellipsometry and Atomic Force Microscopy, reveal that the surface concentration of covalently immobilized hIgG is determined by the ratio of COOH/CH3-terminated thiols in SAM forming solution. Moreover, the ellipsometric data demonstrates that the ratio of bound anti-hIgG/hIgG depends on the density of hIgG on the surface and that the highest ratio is close to three. We also report the selectivity and high sensitivity achieved by chronoamperometry in the detection of adsorbed hIgG and the reaction with its antibody.

Gain saturation effects of a flowing chemical oxygen-iodine laser

A new oxygen-iodine medium gain model is developed to include pumping and deactivation of the upper laser levels of the iodine atoms, hyperfine and translation relaxation, as well as the flowing effect. The rate equations for gain of a supersonic flowing cw oxygen-iodine laser (COIL) are described when the medium is stimulated by a single-mode field. The general solution of the self-consistency integral equation is obtained. The result shows that the saturation behaviour in low pressure of the COIL differs from both the inhomogeneous and homogeneous broadening, and exhibits an 'anomalous' saturation phenomenon.

Stress intensity factors calculation in anti-plane fracture problem by orthogonal integral extraction method based on femol

For an anti-plane problem, the differential operator is self-adjoint and the corresponding eigenfunctions belong to the Hilbert space. The orthogonal property between eigenfunctions (or between the derivatives of eigenfunctions) of anti-plane problem is exploited. We developed for the first time two sets of radius-independent orthogonal integrals for extraction of stress intensity factors (SIFs), so any order SIF can be extracted based on a certain known solution of displacement (an analytic result or a numerical result). Many numerical examples based on the finite element method of lines (FEMOL) show that the present method is very powerful and efficient.

Numerical analysis of spatial evolution of the small signal gain in a chemical oxygen-iodine laser operating without primary buffer gas

A chemical oxygen iodine laser (COIL) that operates without primary buffer gas has become a new way of facilitating the compact integration of laser systems. To clarify the properties of spatial gain distribution, three-dimensional (3-D) computational fluid dynamics (CFD) technology was used to study the mixing and reactive flow in a COIL nozzle with an interleaving jet configuration in the supersonic section. The results show that the molecular iodine fraction in the secondary flow has a notable effect on the spatial distribution of the small signal gain. The rich iodine condition produces some negative gain regions along the jet trajectory, while the lean iodine condition slows down the development of the gain in the streamwise direction. It is also found that the new configuration of an interleaving jet helps form a reasonable gain field under appropriate operation conditions. (c) 2007 Elsevier Ltd. All rights reserved.

Shock slip-relations for thermal and chemical nonequilibrium flows

This paper appears to be the first where the multi-temperature shock slip-relations for the thermal and chemical nonequilibrium flows are derived. The derivation is based on analysis of the influences of thermal nonequilibrium and viscous effects on the mass, momentum and energy flux balance relations at the shock wave. When the relaxation times for all internal energy modes tend to sere, the multi-temperature shock slip-relations are converted into single-temperature ones for thermal equilibrium hows. The present results can be applied to flows over vehicles of different geometries with or without angles of attack. In addition, the present single-temperature shock slip-relations are compared with those in the literature, and Some defects and limitations in the latter are clarified.

The induction plasma chemical reactor: Part I. Equilibrium model

A mathematical model is presented for the numerical simulation of the flow, temperature, and concentration fields in an rf plasma chemical reactor. The simulation is performed assuming chemical equilibrium. The extent of validity of this assumption is discussed. The system considered is the reaction of SiCl4 and NH3 for the production of Si3N4.

The induction plasma chemical reactor: Part II. Kinetic model

A kinetic model has been developed for the prediction of the concentration gelds in an rf plasma reactor. A sample calculation for a SiCl4/H2 system is then performed. The model considers the mixing processes along with the kinetics of seven reactions involving the decomposition of these reactants. The results obtained are compared to those assuming chemical equilibrium. The predictions indicate that an equilibrium assumption will result in lower predicted temperature fields in the reactor. Furthermore, for the chemical system considered here, while differences exist between the concentration fields obtained by the two models, the differences are not substantial.

Characteristics of a CW HF chemical-laser calculated from a simplified two-dimensional model

A two-dimensional simplified model of an HF chemical laser is introduced. Using an implicit finite difference scheme, the solution of two adjacent parallel streams with diffusion mixing and chemical reaction is generated. A contour of mixing and reaction boundary is obtained without presupposition. The distribution of the HF(v) concentrations, gas temperature and the optical small signal gain (alpha sub V, J) on the flowing plane (X, Y) are presented. Compared with the solution solved directly from a set of Navier-Stokes equations, the results of these two methods agree with each other qualitatively. The influences of the different velocity, temperature (T sub 0) and composition of the two streams on the small signal gain after the nozzle exit are investigated. It is interesting that for larger J with a fixed v, the peaks of alpha sub v-T sub 0 profiles move towards higher T sub 0. The computing method is simple and only a short computing time is needed.

One possible way to promote the bond-selective chemical-reactions by frequency-modulated lasers

It is proposed in this paper that we can use frequency-modulated (FM) lasers to realize bond-selective chemical reactions or to raise the efficiency of molecular isotope separation. Examples are given for HF molecule and the C–H bond in some hydrocarbons.