煤氧化增重现象中的控制反应及其动力学解析

以热重实验中的煤氧化增重现象为线索, 对400 ℃前煤氧化的反应机理和动力学过程进行了理论研究. 借助于平行反应理论, 将煤低中温氧化过程简化为3 个平行的竞争反应, 包括水分析出、氧吸附和固相氧化产物分解的反应以及直接的“burn-off”反应. 通过对不同氧体积浓度(10%, 21%和40%)下的实验数据全过程上的非线性最小二乘法拟合, 确定出各反应的动力学参数以及相应的温度作用范围. 模化的结果与实验数据高度贴近, 证明了反应模型和计算方法的可靠性. 煤低中温氧化过程中的质量变化, 主要是由氧吸附反应和固相氧化产物的分解反应所控制的; 由直接的“burn-off”反应所引起的质量变化则相对较小. 煤氧化增重现象对应的反应及动力学过程并不能由单一反应模型来近似. 氧浓度的提高导致氧吸附反应和固相氧化产物的分解反应加剧, 而“burn-off”反应受氧浓度的影响并不显著, 这是由用于解析动力学参数而选定的实验数据的温度范围和特征所决定的.     

Reversal current observed in micro-and submicro-channel flow under non-continuous DC electric field

In practical applications of biochips and bio-sensors, electrokinetic mechanisms are commonly employed to manipulate and analyze the characteristics of single bio-molecules. To accurately and flexibly control the movement of single molecule within micro-/submicro-fluidic channels, the characteristics of current signals at the initial stage of the flow are systematically studied based on a three-electrode system. The current response of micro-/submicro-fluidic channels filled with different electrolyte solutions in non-continuous external electric field are investigated. It is found, there always exists a current reversal phenomenon, which is an inherent property of the current signals in micro/submicro-fluidics Each solution has an individual critical voltage under which the steady current value is equal to zero The interaction between the steady current and external applied voltage follows an exponential function. All these results can be attributed to the overpotentials of the electric double layer on the electrodes. These results are helpful for the design and fabrication of functional micro/nano-scale fluidic sensors and biochips.     

Types of the jump phenomenon in the angular dependence of the noncollinear exchange bias

Based on the principle of minimal energy and the coherent rotation model, two types of the jump phenomena, complete and incomplete jump phenomenon, are proved to exist in the angular dependence of the exchange bias with noncollinear unidirectional and uniaxial anisotropies. It is found that the transition between complete and incomplete jump phenomena occurs on condition that the exchange-coupling constant exceeds a critical value. Additionally, two different modes of the magnetization rotation, the whole-plane rotation, and the half-plane rotation are present in the magnetization reversal process, and they are dependent on the direction of the external field. Furthermore, the equations of the critical angle, at which orientation the exchange bias field reaches a maximum value and the coercivity disappears, are also derived in this paper. The numerical calculations in this paper are consistent with the relevant experimental observations, indicating that our method to study the angular dependence of the exchange bias as well as the magnetization reversal behaviors is valid. Our discussion about the jump phenomenon, the critical angle, and the modes of the magnetization reversal can explain the observed differences in results between different experiments.     

On aggregate structures in a rod-like haematite particle suspension by means of Brownian dynamics simulations

We have investigated aggregation phenomena in a suspension composed of rod-like haematite particles by means of Brownian dynamics simulations. The magnetic moment of the haematite particles lies normal to the particle axis direction and therefore the present Brownian dynamics method takes into account the spin rotational Brownian motion about the particle axis. We have investigated the influence of the magnetic particle–field and particle–particle interactions, the shear rate and the volumetric fraction of particles on the particle aggregation phenomena. Snapshots of aggregate structures are used for a qualitative discussion and the cluster size distribution, radial distribution function and the orientational correlation functions of the direction of particle axis and magnetic moment are the focus for a quantitative discussion. The significant formation of raft-like clusters is found to occur at a magnetic particle–particle interaction strength much larger than that required for a magnetic spherical particle suspension. This is because the rotational Brownian motion has a significant influence on the formation of clusters in a suspension of rod-like particles with a large aspect ratio. An applied magnetic field enhances the formation of raft-like clusters. A shear flow does not have a significant influence on the internal structure of the clusters, but influences the cluster size distribution of the raft-like clusters.     

Evaluation of Euler fluxes by a high-order CFD scheme: shock instability

The construction of Euler fluxes is an important step in shock-capturing/upwind schemes. It is well known that unsuitable fluxes are responsible for many shock anomalies, such as the carbuncle phenomenon. Three kinds of flux vector splittings (FVSs) as well as three kinds of flux difference splittings (FDSs) are evaluated for the shock instability by a fifth-order weighted compact nonlinear scheme. The three FVSs are Steger–Warming splitting, van Leer splitting and kinetic flux vector splitting (KFVS). The three FDSs are Roe's splitting, advection upstream splitting method (AUSM) type splitting and Harten–Lax–van Leer (HLL) type splitting. Numerical results indicate that FVSs and high dissipative FDSs undergo a relative lower risk on the shock instability than that of low dissipative FDSs. However, none of the fluxes evaluated in the present study can entirely avoid the shock instability. Generally, the shock instability may be caused by any of the following factors: low dissipation, high Mach number, unsuitable grid distribution, large grid aspect ratio, and the relative shock-internal flow state (or position) between upstream and downstream shock waves. It comes out that the most important factor is the relative shock-internal state. If the shock-internal state is closer to the downstream state, the computation is at higher susceptibility to the shock instability. Wall-normal grid distribution has a greater influence on the shock instability than wall-azimuthal grid distribution because wall-normal grids directly impact on the shock-internal position. High shock intensity poses a high risk on the shock instability, but its influence is not as much as the shock-internal state. Large grid aspect ratio is also a source of the shock instability. Some results of a second-order scheme and a first-order scheme are also given. The comparison between the high-order scheme and the two low-order schemes indicates that high-order schemes are at a higher risk of the shock instability. Adding an entropy fix is very helpful in suppressing the shock instability for the two low-order schemes. When the high-order scheme is used, the entropy fix still works well for Roe's flux, but its effect on the Steger–Warming flux is trivial and not much clear.     

The dynamics of cavitation bubbles in a sealed vessel

A model of cavitation bubbles is derived in liquid confined in an elastic sealed vessel driven by ultrasound. In this model, an assumption that the pressure acting on the sealed vessel due to bubble pulsations is proportional to total volume change of bubbles is made. Numerical simulations are carried out for a single bubble and for bubbles. The results show that the pulsation of a single bubble can be suppressed to a large extent in sealed vessel, and that of two matched bubbles with same ambient radius can be further suppressed. However, when two mismatched bubbles have the same ambient radii, an interesting breathing phenomenon takes place, where one bubble pulsates inversely with the other one. Due to this breathing phenomenon the suppression effect becomes weak, so the maximum radii of two mismatched bubbles can be larger than that of a single bubble or that of two matched bubbles in sealed vessel. Besides that, for two mismatched bubbles with different ambient radii, the small one in sealed vessel under some certain parameters can pulsate as strong as or even stronger than that of a single bubble in an open vessel.     

Nano-structured Fabry–Pérot resonators in neutron optics & tunneling of neutron wave-particles

Correlated to the quantum mechanics wave-particle duality, the optical analogy between electromagnetic waves and cold neutrons manifests itself through several interference phenomena particularly the so called Frustrated Total Reflection i.e., the tunneling process in Fabry–Pérot nano-structured cavities. Prominent resonant situations offered by this configuration allow the attainment of numerous fundamental investigations and surface-interface studies as well as to devise new kinds of neutron optics devices. This review contribution reports such possibilities in addition to the recently observed peculiar Goos–Hänchen longitudinal shift of neutron wave-particles which was predicted by Sir Isaac Newton as early as 1730.     

Harmonic generations in coupled quantum wells with few-cycle pulses

When few-cycle laser field propagates in an asymmetric coupled quantum well by solving the Maxwell-Bloch equations, not only the odd harmonic generations but also the even harmonic generations can be found. Interestingly, when the system is the inversion symmetric by adjusting the right well width, a peak near the position of second harmonic generation will be obtained. The origin of the new phenomenon is the sidebands effects and the resonance enhancement.