Chemical equilibrium analysis and CFD simulation of coal combustion and NOx formation

A full two-fluid model of reacting gas-particle flows with an algebraic unified second-order moment (AUSM) turbulence-chemistry model is used to simulate Beijing coal combustion and NOx formation. The sub-models are the k-epsilon-kp two-phase turbulence model, the EBU-Arrhenius volatile and CO combustion model, the six-flux radiation model, coal devolatilization model and char combustion model. The blocking effect on NOx formation is discussed. In addition, the chemical equilibrium analysis is used to predict NOx concentration at different temperature. Results of CID simulation and chemical equilibrium analysis show that, optimizing air dynamic parameters can delay the NOx formation and decrease NOx emission, but it is effective only in a restricted range. In order to decrease NOx emission near to zero, the re-burning or other chemical methods must be used.

Numerical Solution for Polymer Transient Flows in a Circle Bounded Composite Formation

A new numerical model for transient flows of polymer solution in a circular bounded composite formation is presented in this paper. Typical curves of the wellbore transient pressure are yielded by FEM. The effects of non-Newtonian power-law index, mobility and boundary distance have been considered. It is found that for the mobility ratio larger than 1, which is favorable for the polymer flooding, the pressure derivative curve in log-log form rises up without any hollow. On the other hand, if the pressure derivative curve has a hollow and then is raised up, we say that the polymer flooding fails. Finally, the new model has been extended to more complicated boundary case.

Prediction of particle distribution in isotropic turbulence by large-eddy simulation

The recent application of large-eddy simulation (LES) to particle-laden turbulence requires that the LES with a subgrid scale (SGS) model could accurately predict particle distributions. Usually, a SGS particle model is used to recover the small-scale structures of velocity fields. In this study, we propose a rescaling technique to recover the effects of small-scale motions on the preferential concentration of inertial particles. The technique is used to simulate particle distribution in isotropic turbulence by LES and produce consistent results with direct numerical simulation (DNS). Key words: particle distribution, particle-laden turbulence, large-eddy simulation, subgrid scale model.

An algorithm for coarse particle sedimentation simulation by Stokesian dynamics

Coarse Particle sedimentation is studied by using an algorithm with no adjustable parameters based on stokesian dynamics. Only inter-particle interactions of hydrodynamic force and gravity are considered. The sedimentation of a simple cubic array of spheres is used to verify the computational results. The scaling and parallelism with OpenMP of the method are presented. Random suspension sedimentation is investigated with Mont Carlo simulation. The computational results are shown in good agreement with experimental fitting at the lower computational cost of O(N In N).

Subgrid scale fluid velocity timescales seen by inertial particles in large-eddy simulation of particle-laden turbulence

Large-eddy simulation (LES) has emerged as a promising tool for simulating turbulent flows in general and, in recent years,has also been applied to the particle-laden turbulence with some success (Kassinos et al., 2007). The motion of inertial particles is much more complicated than fluid elements, and therefore, LES of turbulent flow laden with inertial particles encounters new challenges. In the conventional LES, only large-scale eddies are explicitly resolved and the effects of unresolved, small or subgrid scale (SGS) eddies on the large-scale eddies are modeled. The SGS turbulent flow field is not available. The effects of SGS turbulent velocity field on particle motion have been studied by Wang and Squires (1996), Armenio et al. (1999), Yamamoto et al. (2001), Shotorban and Mashayek (2006a,b), Fede and Simonin (2006), Berrouk et al. (2007), Bini and Jones (2008), and Pozorski and Apte (2009), amongst others. One contemporary method to include the effects of SGS eddies on inertial particle motions is to introduce a stochastic differential equation (SDE), that is, a Langevin stochastic equation to model the SGS fluid velocity seen by inertial particles (Fede et al., 2006; Shotorban and Mashayek, 2006a; Shotorban and Mashayek, 2006b; Berrouk et al., 2007; Bini and Jones, 2008; Pozorski and Apte, 2009).However, the accuracy of such a Langevin equation model depends primarily on the prescription of the SGS fluid velocity autocorrelation time seen by an inertial particle or the inertial particle–SGS eddy interaction timescale (denoted by $\delt T_{Lp}$ and a second model constant in the diffusion term which controls the intensity of the random force received by an inertial particle (denoted by C_0, see Eq. (7)). From the theoretical point of view, dTLp differs significantly from the Lagrangian fluid velocity correlation time (Reeks, 1977; Wang and Stock, 1993), and this carries the essential nonlinearity in the statistical modeling of particle motion. dTLp and C0 may depend on the filter width and particle Stokes number even for a given turbulent flow. In previous studies, dTLp is modeled either by the fluid SGS Lagrangian timescale (Fede et al., 2006; Shotorban and Mashayek, 2006b; Pozorski and Apte, 2009; Bini and Jones, 2008) or by a simple extension of the timescale obtained from the full flow field (Berrouk et al., 2007). In this work, we shall study the subtle and on-monotonic dependence of $\delt T_{Lp}$ on the filter width and particle Stokes number using a flow field obtained from Direct Numerical Simulation (DNS). We then propose an empirical closure model for $\delta T_{Lp}$. Finally, the model is validated against LES of particle-laden turbulence in predicting single-particle statistics such as particle kinetic energy. As a first step, we consider the particle motion under the one-way coupling assumption in isotropic turbulent flow and neglect the gravitational settling effect. The one-way coupling assumption is only valid for low particle mass loading.

New Numerical Algorithms in SUPER CE/SE and Their Applications in Explosion Mechanics

The new numerical algorithms in SUPER/CESE and their applications in explosion mechanics are studied. The researched algorithms and models include an improved CE/SE (space-time Conservation Element and Solution Element) method, a local hybrid particle level set method, three chemical reaction models and a two-fluid model. Problems of shock wave reflection over wedges, explosive welding, cellular structure of gaseous detonations and two-phase detonations in the gas-droplet system are simulated by using the above-mentioned algorithms and models. The numerical results reveal that the adopted algorithms have many advantages such as high numerical accuracy, wide application field and good compatibility. The numerical algorithms presented in this paper may be applied to the numerical research of explosion mechanics.

Development of an efficient particle approach for micro-scale gas flow simulations

The micro-scale gas flows are usually low-speed flows and exhibit rarefied gas effects. It is challenging to simulate these flows because traditional CFD method is unable to capture the rarefied gas effects and the direct simulation Monte Carlo (DSMC) method is very inefficient for low-speed flows. In this study we combine two techniques to improve the efficiency of the DSMC method. The information preservation technique is used to reduce the statistical noise and the cell-size relaxed technique is employed to increase the effective cell size. The new cell-size relaxed IP method is found capable of simulating micro-scale gas flows as shown by the 2D lid-driven cavity flows.

Nematic ordering pattern formation in the process of self-organization of microtubules in a gravitational field

Papaseit et al. (Proc. Nati. Acad. Sci. U.S.A. 97, 8364, 2000) showed the decisive role of gravity in the formation of patterns by assemblies of microtubules in vitro. By virtue of a functional scaling, the free energy for MT systems in a gravitational field was constructed. The influence of the gravitational field on MT's self-organization process, that can lead to the isotropic to nematic phase transition, is the focus of this paper. A coupling of a concentration gradient with orientational order characteristic of nernatic ordering pattern formation is the new feature emerging in the presence of gravity. The concentration range corresponding to a phase coexistence region increases with increasing g or NIT concentration. Gravity facilitates the isotropic to nernatic phase transition leading to a significantly broader transition region. The phase transition represents the interplay between the growth in the isotropic phase and the precipitation into the nematic phase. We also present and discuss the numerical results obtained for local NIT concentration change with the height of the vessel, order parameter and phase transition properties.

Origin and evolution of new exons in rodents

Gene number difference among organisms demonstrates that new gene origination is a fundamental biological process in evolution. Exon shuffling has been universally observed in the formation of new genes. Yet to be learned are the ways new exons originate and evolve, and how often new exons appear. To address these questions, we identified 2695 newly evolved exons in the mouse and rat by comparing the expressed sequences of 12,419 orthologous genes between human and mouse, using 743,856 pig ESTs as the outgroup. The new exon origination rate is about 2.71 x 10(-3) per gene per million years. These new exons have markedly accelerated rates both of nonsynonymous substitutions and of insertions/ deletions (indels). A much higher proportion of new exons have Kappa(a)/Kappa(s) ratios > 1 (where K-a is the nonsynonymous substitution rate and K-s is the synonymous substitution rate) than K do the old exons shared by human and mouse, implying a role of positive selection in the rapid evolution. The majority of these new exons have sequences unique in the genome, suggesting that most new exons might originate through "exonization" of intronic sequences. Most of the new exons appear to be alternative exons that are expressed at low levels.

Formation of self-assembly and the mechanism of Si nanoquantum dots prepared by low pressure chemical vapor deposition

Si nanoquantum dots have been formed by self-assembled growth on the both Si-O-Si and Si-OH bonds terminated SiO2 surfaces using the low-pressure chemical vapor deposition (LPCVD) and surface thermal decomposition of pure SiH4 gas. We have experimentally studied the variation of Si. dot density with Si-OH bonds density, deposition temperature and SiH4 pressure, and analyzed qualitatively the formation mechanism of the Si nanoquantum dots based on LPCVD surface thermal dynamics principle. The results are very. important for the control of the density and size of Si nanoquantum dots, and have potential applications in the new quantum devices.

Formation of InAs quantum dots on low-temperature GaAs epi-layer

InAs self-organized quantum dots (QDs) grown on annealed low-temperature GaAs (LT-GaAs) epi-layers and on normal temperature GaAs buffer layers have been compared by transmission electron microscopy (TEM) and photoluminescence (PL) measurements. TEM evidences that self-organized QDs were formed with a smaller size and larger density than that on normal GaAs buffer layers. It is discussed that local tensile surface strain regions that are preferred sites for InAs islands nucleation are increased in the case of the LT-GaAs buffer layers due to exhibiting As precipitates. The PL spectra show a blue-shifted peak energy with narrower linewidth revealing the improvement of optical properties of the QDs grown on LT-GaAs epi-layers. It suggests us a new way to improve the uniformity and change the energy band structure of the InAs self-organized QDs by carefully controlling the surface stress states of the LT-GaAs buffers on which the QDs are formed. (C) 2000 Elsevier Science B.V. All rights reserved.

Relaxed GexSi1-x layer formation with reduced dislocation density grown by ultrahigh vacuum chemical vapor deposition

A new alternative method to grow the relaxed Ge0.24Si0.76 layer with a reduced dislocation density by ultrahigh vacuum chemical vapor deposition is reported in this paper. A 1000-Angstrom Ge0.24Si0.76 layer was first grown on a Si(100) substrate. Then a 500-Angstrom Si layer and a subsequent 5000-Angstrom Ge0.24Si0.76 overlayer followed. All these three layers were grown at 600 degrees C. After being removed from the growth system to air, the sample was first annealed at 850 degrees C for 30 min, and then was investigated by cross-sectional transmission electron microscopy and Rutherford backscattering spectroscopy. It is shown that the 5000-Angstrom Ge0.24Si0.76 thick over layer is perfect, and most of the threading dislocations are located in the embedded thin Si layer and the lower 1000-Angstrom Ge0.24Si0.76 layer. The relaxation ratio of the over layer is deduced to be 0.8 from Raman spectroscopy.

New insight into the origin of twin and grain boundary in InP

X-ray reflectivity curves show bi-crystal (twin) characteristics. Defect segregations at the twin boundary can be seen, whereas stress is relaxed at the edge of the boundary. Relaxation of the stress resulted in the formation of twins and other defects. As a result of the formation of such defects, a defect-free and stress-free zone or low defect density and small stress zone is created around the defects. Stress, chemical stoichiometry deviation and non-homogeneous distribution of impurities are the key factors that cause twins in LEC InP crystal growth. (C) 1999 Elsevier Science Ltd. All rights reserved.

Shallow donor defect formation and its influence on semi-insulating indium phosphide after high temperature annealing with long duration

Fe-doped semi-insulating (SI) InP has become semi-conducting (SC) material completely after annealing at 900 V for 10 hours. Defects in the SC and SI InP materials have been studied by deep level transient spectroscopy (DLTS) and thermally stimulated current spectroscopy (TSC) respectively. The DLTS only detected Fe acceptor related deep level defect with significant concentration, suggesting the formation of a high concentration of shallow donor in the SC-InP TSC results confirmed the nonexistence of deep level defects in the annealed SI-InP. The results demonstrate a significant influence of the thermally induced defects on the electrical properties of SI-InP. The formation mechanism and the nature of the shallow donor defect have been discussed based on the results.

An Enhanced Particle Swarm Optimization Algorithm

Particle Swarm Optimization (PSO) algorithm is often used for finding optimal solution, but it easily entraps into the local extremum in later evolution period. Based on improved chaos searching strategy, an enhanced particle swarm optimization algorithm is proposed in this study. When particles get into the local extremum, they are activated by chaos search strategy, where the chaos search area is controlled in the neighborhood of current optimal solution by reducing search area of variables. The new algorithm not only gets rid of the local extremum effectively but also enhances the precision of convergence significantly. Experiment results show that the proposed algorithm is better than standard PSO algorithm in both precision and stability.