Thermal Decomposition of Propargyl Alcohol: Single Pulse Shock Tube Experimental and ab Initio Theoretical Study

Thermal decomposition of propargyl alcohol (C3H3OH), a molecule of interest in interstellar chemistry and combustion, was investigated using a single pulse shock tube in the temperature ranging from 953 to 1262 K. The products identified include acetylene, propyne, vinylacetylene, propynal, propenal, and benzene. The experimentally observed overall rate constant for thermal decomposition of propargyl alcohol was found to be k = 10((10.17 +/- 0.36)) exp(-39.70 +/- 1.83)/RT) s(-1) Ab initio theoretical calculations were carried out to understand the potential energy surfaces involved in the primary and secondary steps of propargyl alcohol thermal decomposition. Transition state theory was used to predict the rate constants, which were then used and refined in a kinetic simulation of the product profile. The first step in the decomposition is C-O bond dissociation, leading to the formation of two important radicals in combustion, OH and propargyl. This has been used to study the reverse OH propargyl radical reaction, about which there appears to be no prior work. Depending on the site of attack, this reaction leads to propargyl alcohol or propenal, one of the major products at temperatures below 1200 K. A detailed mechanism has been derived to explain all the observed products.

Riemann shock tube: 1D normal shocks in air, simulations and experiments

This paper presents numerical simulation of the evolution of one-dimensional normal shocks, their propagation, reflection and interaction in air using a single diaphragm Riemann shock tube and validate them using experimental results. Mathematical model is derived for one-dimensional compressible flow of viscous and conducting medium. Dimensionless form of the mathematical model is used to construct space-time finite element processes based on minimization of the space-time residual functional. The space-time local approximation functions for space-time p-version hierarchical finite elements are considered in higher order GRAPHICS] spaces that permit desired order of global differentiability of local approximations in space and time. The resulting algebraic systems from this approach yield unconditionally positive-definite coefficient matrices, hence ensure unique numerical solution. The evolution is computed for a space-time strip corresponding to a time increment Delta t and then time march to obtain the evolution up to any desired value of time. Numerical studies are designed using recently invented hand-driven shock tube (Reddy tube) parameters, high/low side density and pressure values, high- and low-pressure side shock tube lengths, so that numerically computed results can be compared with actual experimental measurements.

Improved tuning of the extended concentric tube resonator for wide-band transmission loss

Transmission loss (TL) of a simple expansion chamber (SEC) consists of periodic domes with sharp troughs. This limits practical application of the SEC in the variable-speed automobile exhaust systems. Three-fourths of the troughs of the SEC can be lifted by appropriate tuning of the extended inlet/outlet lengths. However, such mufflers suffer from high back pressure and generation of aerodynamic noise due to free shear layers at the area discontinuities. Therefore, a perforate bridge is made between the extended inlet and outlet. It is shown that the TL curve of a concentric tube resonator (CTR) can also be lifted in a similar way by proper tuning of the extended unperforated lengths. Differential lengths have to be used to correct the inlet/outlet lengths in order to account for the perforate inertance. The resonance peak frequencies calculated by means of the 1-D analysis are compared with those of the 3-D FEM, and appropriate differential lengths are calculated. It is shown how different geometric characteristics of the muffler and mean flow affect the differential lengths. A general correlation is obtained for the differential lengths by considering seven relevant geometric and environmental parameters in a comprehensive parametric study. The resulting expressions would help in design of extended-tube CTR for wide-band TL. (C) 2014 Institute of Noise Control Engineering.

Stability of the flow in a soft tube deformed due to an applied pressure gradient

A linear stability analysis is carried out for the flow through a tube with a soft wall in order to resolve the discrepancy of a factor of 10 for the transition Reynolds number between theoretical predictions in a cylindrical tube and the experiments of Verma and Kumaran J. Fluid Mech. 705, 322 (2012)]. Here the effect of tube deformation (due to the applied pressure difference) on the mean velocity profile and pressure gradient is incorporated in the stability analysis. The tube geometry and dimensions are reconstructed from experimental images, where it is found that there is an expansion and then a contraction of the tube in the streamwise direction. The mean velocity profiles at different downstream locations and the pressure gradient, determined using computational fluid dynamics, are found to be substantially modified by the tube deformation. The velocity profiles are then used in a linear stability analysis, where the growth rates of perturbations are calculated for the flow through a tube with the wall modeled as a neo-Hookean elastic solid. The linear stability analysis is carried out for the mean velocity profiles at different downstream locations using the parallel flow approximation. The analysis indicates that the flow first becomes unstable in the downstream converging section of the tube where the flow profile is more pluglike when compared to the parabolic flow in a cylindrical tube. The flow is stable in the upstream diverging section where the deformation is maximum. The prediction for the transition Reynolds number is in good agreement with experiments, indicating that the downstream tube convergence and the consequent modification in the mean velocity profile and pressure gradient could reduce the transition Reynolds number by an order of magnitude.

Ignition delay of 3-carene: single pulse shock tube study

Ignition delay experiments of 3-carene, a biofuel, have been carried out in a single-pulse shock tube for three equivalence ratios, 0.5, 1 and 2. The temperature was varied from 1140 to 1606 K. In the above-mentioned conditions, ignition delay was found to vary from 1.180 ms to 144 mu s. The ignition delay values of 3-carene were found to be lower than those of JP-10, a kerosene-based fuel being considered for hypersonic applications.

Shock Tube Studies on Recombination Kinetics of Sodium Ion with Electron

The ionization kinetics of sodium diluted in argon is studied in a shock tube, in which the test gas mixture is ionized by a reflected shock wave and subsequently quenched by a strong rarefaction wave. A Langmuir electrostatic probe is used to monitor the variation of the ion number density at the reflection shock wave region. The working state of the probe is in the near fi-ee fall region and a correction for reduction of the probe current due to elastic scattering in the probe sheath is introduced. At the temperature range of 800 to 2600 K and in the ambience of argon gas, the three-body recombination rate coefficient of the sodium ion with electron is determined: 3.43 x 10(-14)T(-3.77) cm(6).s(-1).

Flame Propagation of H_2-Air in a Semi-Open Obstructed Tube

针对氢／空气混合物,通过实验研究了其预混火焰在半开口管道中的火焰传播加速现象,结果表明,火焰传播状态随着氢气当量比的变化而发生改变。当氢／空气混合物被点燃后,由于障碍物的扰动,火焰在管道中不断加速传播,并最终到达一准稳态传播。在氢气当量比0.31附近时,火焰速度发生跃变。当氢气当量比足够大时,火焰传播由爆燃态转变为爆轰态。在本实验条件下,爆燃转准爆轰的临界条件是d/Lambda>=2.6（d是圆环形障碍物内径,人是爆轰格胞尺度）。障碍物阻塞比的变化对最大火焰速度和压力提升的影响不明显。

The Interaction Between Shock Waves and Foam in a Shock Tube

An experimental study and a numerical simulation were conducted to investigate the mechanical and thermodynamic processes involved in the interaction between shock waves and low density foam. The experiment was done in a stainless shock tube (80mm in inner diameter, 10mm in wall thickness and 5360mm in length). The velocities of the incident and reflected compression waves in the foam were measured by using piezo-ceramic pressure sensors. The end-wall peak pressure behind the reflected wave in the foam was measured by using a crystal piezoelectric sensor. It is suggested that the high end-wall pressure may be caused by a rapid contact between the foam and the end-wall surface. Both open-cell and closed-cell foams with different length and density were tested. Through comparing the numerical and experimental end-wall pressure, the permeability coefficients a and 0 are quantitatively determined.

Influence of the Configuration of Obstacles on Premixed Flame Acceleration in a Tube

在一端封闭、一端开口的火焰传播管中均匀布置障碍物,研究了障碍物结构对管道中预混火焰传播的影 响。结果表明,由于障碍物的扰动,火焰不断加速,在阻塞比相同的条件下,最终的火焰稳态速度与障碍物的形状 和间距基本无关,其中障碍物间距仅仅影响火焰的加速速率,在障碍物间距约等于火焰传播管内径( W/ D≈1. 0) 时,平均火焰速度达到最大值,火焰到达稳态传播的距离最短。同时,本文用一维简化模型模拟了火焰在障碍物管 道中的加速过程,计算结果与实验测试结果在定性上比较吻合,说明在管内火焰速度较低的情况下,用一维可压缩 流动近似处理能初步揭示管内火焰的加速机制。

Oxyhydrogen combustion and detonation driven shock tube

The performance of combustion driver ignited by multi-spark plugs distributed along axial direction has been analysed and tested. An improved ignition method with three circumferential equidistributed ignitors at main diaphragm has been presented, by which the produced incident shock waves have higher repeatability, and better steadiness in the pressure, temperature and velocity fields of flow behind the incident shock, and thus meets the requirements of aerodynamic experiment. The attachment of a damping section at the end of the driver can eliminate the high reflection pressure produced by detonation wave, and the backward detonation driver can be employed to generate high enthalpy and high density test flow. The incident shock wave produced by this method is well repeated and with weak attenuation. The reflection wave caused by the contracted section at the main diaphragm will weaken the unfavorable effect of rarefaction wave behind the detonation wave, which indicates that the forward detonation driver can be applied in the practice. For incident shock wave of identical strength, the initial pressure of the forward detonation driver is about 1 order of magnitude lower than that of backward detonation.

Wave dynamic processes induced by a supersonic projectile discharging from a shock tube

A numerical study on wave dynamic processes occurring in muzzle blast flows, which are created by a supersonic projectile released from the open-end of a shock tube into ambient air, is described in this paper. The Euler equations, assuming axisymmetric flows, are solved by using a dispersion-controlled scheme implemented with moving boundary conditions. Three test cases are simulated for examining friction effects on the muzzle flow. From numerical simulations, the wave dynamic processes, including two blast waves, two jet flows, the bow shock wave and their interactions in the muzzle blasts, are demonstrated and discussed in detail. The study shows that the major wave dynamic processes developing in the muzzle flow remain similar when the friction varies, but some wave processes, such as shock-shock interactions, shock-jet interactions and the contact surface instability, get more intensive, which result in more complex muzzle blast flows.

Investigation of High-Speed Combustible Gas Ignited by a Hot Gas Jet Produced in the Shock Tube

The high-speed combustible gas ignited by a hot gas jet, which is induced by shock focusing, was experimentally investigated. By use of the separation mode of shock tube, the test section of a single shock tube is split into two parts, which provide the high-speed flow of combustible gas and pilot flame of hot gas jet, respectively. In the interface of two parts of test sections the flame of jet was formed and spread to the high-speed combustible gas. Two kinds of the ignitions, 3-D “line-flame ignition” and 2-D “plane-flame ignition”, were investigated. In the condition of 3-D “lineflame ignition” of combustion, thicker hot gas jet than pure air jet, was observed in schlieren photos. In the condition of 2-D “plane-flame ignition” of combustion, the delay time of ignition and the angle of flame front in schlieren photos were measured, from which the velocity of flame propagation in the high-speed combustible gas is estimated in the range of 30–90 m/s and the delay time of ignition is estimated in the range of 0.12–0.29 ms.

Thermal Decomposition of 1,2-Dichloroethane in a Single-Pulse Shock Tube

在单脉冲激波管上,研究了1,2-二氯乙烷的热裂解.实验的激波条件为:温度区间1020 K＜T＜1190 K, 压力: P=0.12 MPa,实验时间τ=0.5 ms;实验气体为1,2-二氯乙烷稀释于Ar气中(3.95 mmol/L).以4-甲基-1-环己烯作为对比速率法实验的内标物,用4-甲基-1-环己烯开环反应的速率常数k=1015.3exp(-33400/T) s-1,以及从其产物的浓度推定出实验温度.经激波加热后的实验气体的终产物用气相色谱分析出主要成分为C2H3Cl,指示出主要反应通道为β消去反应.如把所有产物C2H3Cl都归于β消去反应,则可推定出表观之反应速率常数k1a=5.0×1013exp(-30000/T) s-1.对于由C-Cl键断键反应引发的链反应的可能影响做了分析研究.用了一种简便分析可推知在实验的温度范围内的低端(1020 K)链反应的影响可以忽略,而在其高端(1190 K)链反应将给出10%的终产物C2H3Cl的附加浓度,获得真实的β消去反应速率常数则必须把这部分予以扣除.经过这样的校正之后,最后得到CH2ClCH2Clβ消去反应速率常数为k1c=2.3×1013exp(-29200/T) s-1.

Shock Tube Studies on the Nonequlibrium Electron Affinity Kinetics of Fluorine Atom at High Temperatures

To study electron affinity kinetics, a shock tube method was applied, in which the test gas was ionized by a reflected shock wave and subsequently quenched by a strong rarefaction wave. As the quenching speed of 106 K/s was reached, a nonequilibrium ionization-recombination process occurred, which was dominated by ion recombination with electrons. A Langmuir electrostatic probe was used to monitor variation in the ion number density at the reflection shock region. The working state of the probe was analyzed...