A phenomenological model for hydrocarbon high-temperature autoignition

A four-step phenomenological chemical–kinetic model is presented that is believed to apply to many aspects of combustion of most hydrocarbons at temperatures above about 1000 K. The mechanism involves chain initiation through reactive collision of fuel and oxidizer molecules, fuel consumption in a step that removes radicals, oxidizer consumption in a step that produces radicals and a chain termination step. An expression for the autoignition time is derived on the basis of this model and is applied to describe the ignition of propane–air mixtures and a few other hydrocarbons. It is shown that excellent agreement with ignition times obtained from detailed chemistry can be achieved by this model.     

Statistics of reaction progress variable and mixture fraction gradients of a pulverised coal jet flame using Direct Numerical Simulation data

The statistical behaviour of the variances, covariance and gradients of the reaction progress variable (c), and the mixture fraction (ξ) have been analysed in a pulverised coal jet flame using a three-dimensional carrier phase direct numerical simulation (DNS) dataset. It has been observed that the Favre-probability density functions (PDFs) of c and ξ can be parametrised by the standard β function. Furthermore, the log-normal distribution has been found to accurately represent |?c| and |?ξ|. It is also found that ?c and ?ξ remain aligned throughout the flame brush. Finally the joint PDF of |?c| and |?ξ| has been compared with the product of the PDF of |?c| and PDF of |?ξ| extracted from carrier phase DNS, and it has been found that |?c| and |?ξ| are not statistically independent in the case investigated.The bivariate log-normal distributions with and without correlation have also been considered, and the former is found to be in better agreement with the carrier phase DNS data.     

Travelling wave mathematical analysis and efficient numerical resolution for a one-dimensional model of solid propellant combustion

We investigate a model of solid propellant combustion involving surface pyrolysis coupled to finite activation energy gas-phase combustion. Existence and uniqueness of a travelling wave solution are established by extending dynamical system tools classically used for premixed flames, dealing with the additional difficulty arising from the surface regression and pyrolysis. An efficient shooting method allows to solve the problem in phase space without resorting to space discretisation nor fixed-point Newton iterations. The results are compared to solutions from a CFD code developed at ONERA, assessing the efficiency and potential of the method, and the impact of the modelling assumptions is evaluated through parametric studies.     

CH4/空气简化动力学机理数值验证

选择绕圆柱预混燃烧算例，验证CH₄/空气三种简化动力学机理（16s41r、15s19r和53s325r）.考虑均匀来流，忽略湍流和湍流与燃烧相互作用以及燃料扩散效应，假设层流有限反应速率，采用保自由流5阶WENO格式求解多组分Euler方程组，得到CH₄/空气预混燃烧流场温度等值线、沿驻点线压力和温度及其CH₄、CO和CO₂质量百分数分布.结果表明：三种简化动力学机理给出的流场均出现弓形激波和火焰面，弓形激波和火焰驻点距离及其形状、诱导区宽度和简化动力学机理相关.当圆柱直径增大，弓形激波和火焰向圆柱上游移动，对应的驻点距离均增大，诱导区宽度变短，点火延时变小，但火焰和弓形激波位置次序未变化.53s325r模型要比16s41r模型和15s19r模型精度要高，点火延时覆盖的压力和温度范围也较宽，所有简化机理均未完全反应，在较大圆柱直径下游达到化学平衡.     

Screening gas-phase chemical kinetic models: Collision limit compliance and ultrafast timescales

Detailed gas-phase chemical kinetic models are widely used in combustion research, and many new mechanisms for different fuels and reacting conditions are developed each year. Recent works have highlighted the need for error checking when preparing such models, but a useful community tool to perform such analysis is missing. In this work, we present a simple online tool to screen chemical kinetic mechanisms for bimolecular reactions exceeding collision limits. The tool is implemented on a user-friendly website, cloudflame.kaust.edu.sa, and checks three different classes of bimolecular reactions; (ie, pressure independent, pressure-dependent falloff, and pressure-dependent PLOG). In addition, two other online modules are provided to check thermodynamic properties and transport parameters to help kinetic model developers determine the sources of errors for reactions that are not collision limit compliant. Furthermore, issues related to unphysically fast timescales can remain an issue even if all bimolecular reactions are within collision limits. Therefore, we also present a procedure to screen ultrafast reaction timescales using computational singular perturbation. For demonstration purposes only, three versions of the rigorously developed AramcoMech are screened for collision limit compliance and ultrafast timescales, and recommendations are made for improving the models. Larger models for biodiesel surrogates, tetrahydropyran, and gasoline surrogates are also analyzed for exemplary purposes. Numerical simulations with updated kinetic parameters are presented to show improvements in wall-clock time when resolving ultrafast timescales.     

Enhanced Thermal Decomposition Properties and Catalytic Mechanism of Ammonium Perchlorate over CuO/MoS2 Composite

In this report, CuO/MoS₂ composites were successfully prepared by the hydrothermal method where nano‐sized CuO was uniformly distributed on the surface of hierarchical MoS₂ substrates (CuO/MoS₂ composites). Their physicochemical properties and catalytic performance in ammonium perchlorate (AP) decomposition were investigated and characterized by XRD, SEM, TEM, BET, XPS, TG/DSC and combustion measurement. The results showed that it could decrease AP decomposition temperature at high decomposition stage from 416.5 °C to 323.5 °C and increase the heat release from 378 J/g (pure AP) to 1340 J/g (AP with catalysts), which was better than pure CuO nanoparticles (345.5 °C and 1046 J/g). Meanwhile, it showed excellent performance in combustion reaction either in N₂ or air atmosphere. The results obtained by photocurrent spectra, photoluminescence spectra and time‐resolved fluorescence emission spectra indicated that loading CuO mediated the generation rate and combination rate of electrons and holes, thus tuning the catalytic performance on AP decomposition. This study proved that employing the supports that can synergistically interact with CuO is an efficient strategy to enhance the catalytic performance of CuO.     

Mn-Fe_2O_3载氧体作用下CO化学链燃烧特性及动力学研究

采用共沉淀法制备不同物质的量比Mn掺杂的铁基载氧体(Mn-Fe2O3),并进行XRD、BET和TEM表征。开展不同温度下Mn-Fe2O3与CO的化学链燃烧实验,研究载氧体的反应特性,确定较优的掺杂量和反应温度。结果表明,适量的Mn掺杂有助于改善铁基载氧体的反应活性,Fe∶Mn物质的量为50∶1时燃烧反应转化率最高。多循环化学链燃烧实验证实了载氧体稳定性较好。不同升温速率(30、40、50℃/min)下反应动力学分析表明,Mn-Fe2O3与CO的化学链燃烧还原反应均属于随机成核和随后生长的Avrami-Erofeev方程模型,并依据模型分别计算出了该模型的活化能和频率因子。     

THE GENERALIZED RIEMANN PROBLEM FOR A SCALAR NONCONVEX COMBUSTION MODEL-THE PERTURBATION ON INITIAL BINDING ENERGY

In this article,we study the generalized Riemann problem for a scalar nonconvex Chapman-Jouguet combustion model in a neighborhood of the origin (t ＞ 0) on the (x,t) plane.We focus our attention to the...     

Combustion behaviors of isolated n-decane and ethanol droplets in carbon dioxide-rich ambience under microgravity

The burning and sooting behaviors of isolated fuel droplets for ethanol and n-decane are examined in high concentration of the ambient carbon dioxide under microgravity. A quartz fiber with the diameter of 50 μm maintains the droplet in the center of the combustion chamber and the range in the initial droplet diameter is from 0.30 to 0.80 mm. The ambience consists of oxygen, nitrogen and carbon dioxide. The concentration of oxygen is 21% in volume, and that of carbon dioxide is varied from 0% to 60% in volume. Detail measurements of the projected image of the droplet are conducted by using a high speed video camera and the effective droplet diameter squared are calculated from the surface area of the rotating body of the projected object. From evolutions of the droplet diameter squared, the instantaneous burning rates are calculated. Time history of the instantaneous burning rate clearly represents the droplet combustion events, such as the initial thermal expansion, ignition and following combustion. The instantaneous burning rate for n-decane shows an increasing trend during combustion, while that for non-sooting ethanol remains almost constant or shows a decreasing trend. A slight stepwise increase in the instantaneous burning rate is observed for larger n-decane droplets in air, which may be attributed to soot accumulation. However, this behavior of the burning rate disappears in higher concentration of carbon dioxide. Direct observation of the droplet flame indicates suppression of soot production in higher concentration of carbon dioxide and the suppression is enhanced for smaller droplet.