Numerical study of three-dimensional detonation structure transformations in a narrow square tube: from rectangular and diagonal modes into spinning modes

Three-dimensional (3-D) detonation structure transformations from rectangular and diagonal modes into spinning modes in a narrow square tube are investigated by high-resolution simulation. Numerical simulations are performed with a Riemann solver of the HLLC-type, new cell-based structured adaptive mesh refinement data structure, high-order, parallel adaptive mesh refinement reactive flow code. A simplified one-step kinetic reaction model is used to reveal the 3-D detonation structure. The four different types of initial disturbances applied in the ZND profiles lead to the structures of rectangular in phase, rectangular out of phase, rectangular partial out of phase and diagonal, respectively, during the initial stages of detonation propagation. Eventually, all these detonation structures evolve into the self-sustained spinning detonations. The asymmetric disturbance leads to a stable spinning detonation much faster than the rest. The important features in the formation of spinning detonation are revealed using a 3-D visualization, and a remarkable qualitative agreement with experimental and numerical results is obtained with respect to the transverse wave dynamics and detonation front structures. The transverse wave collisions produce the unburnt gas pockets and the energy to sustain the detonation front propagation and distortion. The periodic pressure oscillation of front plays a complex role as it shifts the reaction zone structure with an accompanying change in the driving energy of transition and the detonation parameters which result in the more distorted front and the unstable detonation. Eventually, the unstable distorted detonation evolves into a spinning detonation.     

Stereochemistry-dependent, mechanoresponsive supramolecular host assemblies for fullerenes: a guest-induced enhancement of thixotropy

Self-assembly behaviors of a series of systems (G1, G2, and G3) possessing same organic building blocks based on a substituted anthracene have been investigated in decalin. G2 and G3 are dominated by head-to-tail (ht) and head-to-head (hh) type dimers of G1, respectively. G1 gives a thermoresponsive gel that behaves ideally, showing frequency-independent elastic and viscous moduli. Interestingly, G2 produces a thixotropic gel that shows the signature of structural relaxation, signifying the dynamic nature of the system. In contrast, G3 remains fluidlike. As investigated by scanning electron microscopy (SEM), in the assembly process of G2, first disklike nanoaggregates are formed, and in the second step these aggregates interact to construct the densely packed secondary assembly. A transition from secondary assembly to primary assembly under shear initiates the mechanoresponsive destruction of the gel. In the self-assembly process, G1 propagates in a one-dimensional fashion, whereas G2 and G3 can propagate in a two-dimensionional fashion. The same side orientation of the substituents in G3 facilitates the formation of a compact closed-shell-type structure, which results in the generation of isolated nanocrystals. The long-range weak interaction together with the capability of propagating in two dimensions is found to be essential for the construction of such a mechanoresponsive assembly. C(60) and C(70) could be incorporated successfully in G2 assembly to develop mechanoresponsive fullerene assemblies. The presence of fullerenes not only enhances the elastic properties of G2 but also intensifies the thixotropy. C(70) appears to be a superior guest in terms of property enhancement due to its better size fitting with the concave-shaped host.     

Self-similar solutions of the Euler equations with spherical symmetry

We consider self-similar flows arising from the uniform expansion of a spherical piston and preceded by a shock wave front. With appropriate boundary conditions imposed on the piston surface and the spherical shock, the isentropic compressible Euler system is transformed into a nonlinear ODE system. We formulate the problem in a simple form in order to present the analytic proof of the global existence of positive smooth solutions.     

Nonlinear fluorescence response driven by ATP-induced self-assembly of guanidinium-tethered tetraphenylethene

Nonlinear fluorescence response, which is particularly important to attain the high signal-to-background ratio, was realized by the aggregation-induced fluorescence increase of guanidinium-tethered tetraphenylethene with ATP.     

Peroxidase-mimic bismuth-gold nanoparticles for determining the activity of thrombin and drug screening

Fibrinogen-modified bismuth-gold nanoparticles (Fib-Bi-Au NPs) are prepared and used as enzyme mimics for the H(2)O(2)-mediated reaction with Amplex Red (AR), which is further employed for determining thrombin activity and drug screening.     

Preparation and Application of Immobilized Fullerene C60‐Heparin for Anticoagulation of Blood

The interaction between fullerene C60 and heparin was studied using a fullerene C60‐coated piezoelectric quartz crystal sensor. The irreversible response of the piezoelectric quartz crystal was found which could be attributed to the quite strong adsorption of heparin onto the C60 molecule. Immobilized fullerene C60‐Heparin was prepared and successfully applied as a good inhibitor for blood clotting. Like solvated heparin, both wet and dry C60‐heparin solid all demonstrated excellent ability of anticoagulation of blood. The blood clotting time with C60‐heparin solid was found to be > 7 days, while only 17.9 min required for blood clotting time in the absence of C60‐heparin solid. Furthermore, the C60‐heparin coated artificial PVC blood vessels were prepared by coating fullerene C60 onto the surface of artificial PVC blood vessels, followed by the adsorption of water solvated heparin onto the fullerene C60 molecule to form C60‐heparin coating. The blood clotting time of blood in artificial PVC blood vessels with C60‐heparin coating was found to be > 30 days, while only ≤ 30 min. of blood clotting time without the C60‐Heparin coating was observed. The C60‐heparin coated artificial PVC blood vessels can be expected to be employed in human body for the anticoagulation of blood.     

Application of the NS-α Model to a Recirculating Flow

In this paper we investigate a subgrid model based on an anisotropic version of the NS-α model using a lid-driven cavity flow at a Reynolds number of 10,000. Previously the NS-α model has only been used numerically in the isotropic form. The subgrid model is developed from the Eulerian-averaged anisotropic equations (Holm, Physica D 133:215, 1999). It was found that when α ² was based on the mesh numerical oscillations developed which manifested themselves in the appearance of streamwise vortices and a ‘mixing out’ of the velocity profile. This is analogous to the Craik–Leibovich mechanism, with the difference being that the oscillations here are not physical but numerical. The problem could be traced back to the discontinuity in α ² encountered when α ² = 0 on the endwalls. A definition of α ² based on velocity gradients, rather than mesh spacing, is proposed and tested. Using this definition the results with the model show a significant improvement. The splitting of the downstream wall jet, rms and shear stress profiles are correctly captured a coarse mesh. The model is shown to predict both positive and negative energy transfer in the jet impingement region, in qualitative agreement with DNS results.     

分光光度法测定阿仑膦酸钠片剂含量

１引言 阿仑膦酸钠为二膦酸盐类药物,广泛用于治疗骨质疏松症。目前该药多采用钼蓝比色法测定含量。但“钼蓝比色法”的测定波长及结果易受还原剂种类、性质及溶液酸度等因素的影响,而且操作繁琐。鉴于阿仑膦酸钠经氧化破坏可定量生成ＰＯ４３－,且ＰＯ４３－又能与饥铝酸盐形成具有紫外吸收活性的络合物。本文详细研究了具体的反应条件,建立了简便的“分光光度法”用以测定该药含量。并对该药片剂进行了含量测定,结果满意。本法克服了“钼蓝比色法”的上述不足,具有简便、快速、重现性好的优点,适用于二膦酸盐类药物制剂的分析。２…     

Entrapment of Humic Acid in a Sol-Gel Matrix—A New Tool for Sorption Studies

Humic substances are natural complexed mixtures of organic compounds originated from the decomposition of plant and animal residues. These compounds are ubiquitous in soils, sediments, surface waters and groundwaters. They contain both hydrophobic and hydrophilic moieties, able to interact with hydrophobic organic contaminants and with heavy metals. These sorption interactions play a crucial role in contaminants fate and transport and their understanding and quantification are essential for modeling and predictions. However, sorption analyses frequently suffer from experimental problems. A novel idea presented in this study is to use sol-gel as an inert matrix to immobilize (entrap) specific, well defined, humic molecules which then be used in sorption studies. We developed a successful procedure for the immobilization of humic acid (HA) in a sol-gel matrix. After gelation and drying, the doped gel was crushed and washed several times, yielding a very stable product. It was then used in a series of batch experiments, studying the sorption of several polycyclic aromatic hydrocarbons (PAHs) with Aldrich HA. The sorption coefficients (K _oc) obtained with the immobilized HA were highly correlated with the values expected based on the hydrophobicity of the contaminants. We concluded that the entrapped HA retained its original properties and that it was accessible to the external contaminants through the pore network.     

Development of an Analytical <Emphasis Type="Italic">β</Emphasis>-Function PDF Integration Algorithm for Simulation of Non-premixed Turbulent Combustion

Among many presumed-shape pdf approaches for modeling non-premixed turbulent combustion, the presumed β-function pdf is widely used in the literature. However, numerical integration of the β-function pdf may encounter singularity difficulties at mixture fraction values of Z = 0 or 1. To date, this issue has been addressed by few publications. The present study proposes the Piecewise Integration Method (PIM), an efficient, robust and accurate algorithm to overcome these numerical difficulties with the added benefit of improving computational efficiency. Comparison of this method to the existing numerical integration methods shows that the PIM exhibits better accuracy and greatly increases computational efficiency. The PIM treatment of the β-function pdf integration is first applied to the Burke–Schumann solution in conjunction with the k − ε turbulence model to simulate a CH₄/H₂ bluff-body turbulent flame. The proposed new method is then applied to the same flow using a more complex combustion model, the laminar flamelet model. Numerical predictions obtained by using the proposed β-function pdf integration method are compared to experimental values of the velocity field, temperature and species mass fractions to illustrate the efficiency and accuracy of the present method.