Predicting kinetic parameters for coal devolatilization by means of Artificial Neural Networks

The chemical percolation devolatilization (CPD) model has been shown to represent the devolatilization process of different coals and heating conditions with good accuracy. However, its use in computational fluid dynamics is limited because of its relatively high computational cost. Here, an Artificial Neural Network (ANN) based model for predicting coal devolatilization kinetics is developed based on a database constructed with the CPD model for a wide range of coals and heating rates. The heating rates and the information of ultimate and proximate analysis are chosen as inputs of the ANN model to consider the effects of coal types and heating conditions on coal devolatilization; the outputs are the kinetic parameters for the two-step kinetic model. The learning, validation, and application results show that the proposed ANN model has a competitive prediction capability on both the total volatile release and release rates when compared with the CPD model, but has obvious computational efficiency advantages. Furthermore, the relative impact of the coal type and heating rate on each kinetic parameter for coal devolatilization is quantitatively evaluated through the Garson equation. It is found that the heating rate has the strongest effect on the pre-exponential factor, while the coal types show significant influence on the activation energy and final yield of the two reactions in the two-step model.     

The effects of oxygen concentration and gas temperature on coal stream ignition and particle surface temperature in reducing-to-oxidizing environments

In the near-burner region of pulverized coal burners, two zones exist, with very different oxygen concentrations. The first zone is a locally reducing environment, caused by the fast release of volatiles from a region of dense coal particles, and the second zone, which is surrounding the first zone, is a hot oxidizing environment. The transition of coal particles from the reducing zone to the oxidizing zone affects early stage coal combustion characteristics, such as devolatilization, ignition and particle temperature history. In this work, we used a two-stage Hencken flat-flame burner to simulate the conditions that coal particles experience in practical combustors when they transition from a reducing environment to an oxidizing environments. The composition of the reducing environment was chosen to approximate that of a typical coal volatile. Three oxygen concentrations (5, 10 and 15 vol%) in the “ambient” oxidizing environment were tested, corresponding to those at different distances downstream from a commercial burner. The corresponding gas temperatures for the oxidizing environments were adjusted for the different oxygen concentrations such that the “volatile” flame temperatures were the same, as this is what would be expected in a commercial combustor. High speed videography was used to obtain the ignition characteristics, and RGB color pyrometry was used to measure particle surface temperatures. Two different sizes of coal particles were used. It is found that when particles undergo a reducing-to-oxidizing transition at high temperatures, the particles are preheated such that the critical factor for ignition delay is point at which the particle is in the presence of oxygen, not the concentration of oxygen. The ignition delay of large particles is found to be 53% longer than that of small particles due to their higher thermal mass and slower devolatilization. The oxygen concentration in the ambient have a negligible effect on early-stage particle temperatures.     

Flamelet modeling of coal particle ignition

This paper numerically investigates the ignition of a single coal particle during the devolatilization phase in a laminar entrained-flow reactor, for which experimental data are available from Molina and Shaddix [3]. Different numerical approaches are combined to evaluate the non-premixed flamelet approach for coal particle ignition. First, the particle trajectory and the particle heating are simulated with a Lagrangian–Eulerian approach using a detailed pyrolysis model. In a second step, these results are used as transient boundary conditions for a simulation fully resolving the flow, the mixing field and the chemical reactions around the particle. Finally, in combination with the boundary conditions the time-dependent scalar dissipation rate profiles from the resolved particle calculation are used in a flamelet calculation for the particle up- and downstream directions. Very good agreement is obtained in terms of ignition delay as well as temperature and chemical species distributions in the mixture fraction space when the resolved particle calculation and the unsteady flamelet calculation are compared in the downstream direction. Good agreement is obtained when the numerical results for the ignition time and the time-averaged OH distribution are compared with the available experimental data. The results show the capability of the laminar flamelet approach to correctly predict coal particle ignition during devolatilization using accurate scalar dissipation rate profiles.     

Numerical investigation of pulverized coal particle group combustion using tabulated chemistry

The ignition and combustion of coal particle groups are investigated numerically in a laminar flow reactor. The Flamelet Generated Manifold method is extended to account for the complex mixture of gases being released during devolatilization, which is calculated with a competing two-step model. A second mixture fraction is introduced to include the mixing with the second methane fuel stream. The interactions of the gas phase with particles are modeled within a fully coupled Euler-Lagrange framework. To investigate the influence of particle groups on ignition and combustion, successively increasing densities of particle streams have been analyzed. The ignition delay time is increased significantly by higher particle densities. This delay is validated successfully with the available measurements. Moreover, the shape of the volatile flame was found to be strongly influenced by the particle number density inside the flame. A transition from spherical flames around single particles to a conical flame around the particle cloud could be found in numerical results as well as in experiments. As the primary mechanism for the substantial ignition delay and the formation of the flame, the increased heat transfer from the gas-phase to the particle group, resulting in lower gas-phase temperatures, was identified.     

Particle imaging of ignition and devolatilization of pulverized coal during oxy-fuel combustion

Oxy-fuel combustion of coal is a promising technology for cost-effective power production with carbon capture and sequestration that has ancillary benefits of emission reductions and lower flue gas cleanup costs. To fully understand the results of pilot-scale tests of oxy-fuel combustion and to accurately predict scale-up performance through CFD modeling, fundamental data are needed concerning coal and coal char combustion properties under these unconventional conditions. In the work reported here, the ignition and devolatilization characteristics of both a high-volatile bituminous coal and a Powder River Basin subbituminous coal were analyzed in detail through single-particle imaging at a gas temperature of 1700 K over a range of 12–36 vol % O₂ in both N₂ and CO₂ diluent gases. The bituminous coal images show large, hot soot cloud radiation whose size and shape vary with oxygen concentration and, to a lesser extent, with the use of N₂ versus CO₂ diluent gas. Subbituminous coal images show cooler, smaller emission signals during devolatilization that have the same characteristic size as the coal particles introduced into the flow (nominally 100 μm). The measurements also demonstrate that the use of CO₂ diluent retards the onset of ignition and increases the duration of devolatilization, once initiated. For a given diluent gas, a higher oxygen concentration yields shorter ignition delay and devolatilization times. The effect of CO₂ on coal particle ignition is explained by its higher molar specific heat and its tendency to reduce the local radical pool. The effect of O₂ on coal particle ignition results from its effect on the local mixture reactivity. CO₂ decreases the rate of devolatilization because of the lower mass diffusivity of volatiles in CO₂ mixtures, whereas higher O₂ concentrations increase the mass flux of oxygen to the volatiles flame and thereby increase the rate of devolatilization.     

激光点火煤粒着火的模型分析

本文对颗粒煤在激光加热条件下的着火和燃烧进行了数值模拟。采用的是一个简单的煤粒着火与燃烧的一维模型。该模型采用了热解和双平行反应模型,考虑了煤粒表面的多相反应和气相的基元反应以及气相中的传热与传质。从获得的煤粒表面和气相空间的温度随时间的变化规律,可以判断不同煤种的着火方式。     

A multi-step reaction model for ignition of fully-dense Al-CuO nanocomposite powders

A multi-step reaction model is developed to describe heterogeneous processes occurring upon heating of an Al-CuO nanocomposite material prepared by arrested reactive milling. The reaction model couples a previously derived Cabrera-Mott oxidation mechanism describing initial, low temperature processes and an aluminium oxidation model including formation of different alumina polymorphs at increased film thicknesses and higher temperatures. The reaction model is tuned using traces measured by differential scanning calorimetry. Ignition is studied for thin powder layers and individual particles using respectively the heated filament (heating rates of 10³–10⁴ K s^?1) and laser ignition (heating rate ～10⁶ K s^?1) experiments. The developed heterogeneous reaction model predicts a sharp temperature increase, which can be associated with ignition when the laser power approaches the experimental ignition threshold. In experiments, particles ignited by the laser beam are observed to explode, indicating a substantial gas release accompanying ignition. For the heated filament experiments, the model predicts exothermic reactions at the temperatures, at which ignition is observed experimentally; however, strong thermal contact between the metal filament and powder prevents the model from predicting the thermal runaway. It is suggested that oxygen gas release from decomposing CuO, as observed from particles exploding upon ignition in the laser beam, disrupts the thermal contact of the powder and filament; this phenomenon must be included in the filament ignition model to enable prediction of the temperature runaway.     

Investigating particle and volatile evolution during pulverized coal combustion using high-speed digital in-line holography

Devolatilization is an important process in pulverized coal combustion because it affects the ignition, volatile combustion, and subsequent char burning and ash formation. In this study, high-speed digital in-line holography is employed to visualize and quantify the particle and volatile evolution during pulverized coal combustion. China Shanxi bituminous coal particles sieved in the range of 105–154 µm are entrained into a flat flame burner through a central tube for the study. Time-resolved observations show the volatile ejection, accumulation, and detachment in the early stage of coal combustion. Three-dimensional imaging and automatic particle extraction algorithm allow for the size and velocity statistics of the particle and stringy volatile tail. The results demonstrate the smaller particle generation and coal particle swelling in the devolatilization. It is found that the coal particles and volatiles accelerate due to the thermal buoyancy and the volatiles move faster than the coal particles. On average, smaller particles move faster than the larger ones while some can move much slower possibly because of the fragmentation.     

Temporal temperature measurement on burning biomass pellets using phosphor thermometry and two-line atomic fluorescence

We report accurate in-situ optical measurements of surface temperature, volatile gas temperature, and polycyclic aromatic hydrocarbon (PAH) emission over the whole burning history of individual biomass pellets in various combustion atmospheres. Two biomass fuels, wood and straw, were prepared in cylindrical pellets of ～300 mg. The pellets were burned in a well-controlled combustion atmosphere provided by a laminar flame burner with temperature ranging from 1390 K to 1840 K, and oxygen concentration from zero to 4.5%. The surface temperature of burning biomass pellets was accurately measured, for the first time, using phosphor thermometry, and the volatile gas temperature was measured using two-line atomic fluorescence thermometry. PAH emission was monitored using two-dimensional laser-induced fluorescence. During the devolatilization stage, a relatively low surface temperature, ～700 K, was observed on the burning pellets. The volatile gas temperature was ～1100 K and ～1500 K 5 mm above the top of the pellets in a gas environment of ～1800 K with 0.5% and 4.5% oxygen, respectively. PAH mainly released when the temperature of the pellet exceeded ～600 K with the highest concentration close to the surface and being consumed downstream. The weight of the released PAH molecules shifted towards lighter with a reduction of gas environment temperature. The wood and straw pellets had almost the same surface and volatile gas temperature but different compositions in the released volatile gases. The temperature information provided in the present work aids in revealing the reactions in the burning biomass fuels regarding species release, such as various hydrocarbons, nitrogen compounds, and potassium species, and is valuable for further development of biomass thermal conversion models.     

Ignition and devolatilization of pulverized bituminous coal particles during oxygen/carbon dioxide coal combustion

Oxygen/carbon dioxide recycle coal combustion is actively being investigated because of its potential to facilitate CO₂ sequestration and to achieve emission reductions. In the work reported here, the effect of enhanced oxygen levels and CO₂ bath gas is independently analyzed for their influence on single-particle pulverized coal ignition of a U.S. eastern bituminous coal. The experiments show that the presence of CO₂ and a lower O₂ concentration increase the ignition delay time but have no measurable effect on the time required to complete volatile combustion, once initiated. For the ignition process observed in the experiments, the CO₂ results are explained by its higher molar specific heat and the O₂ results are explained by the effect of O₂ concentration on the local mixture reactivity. Particle ignition and devolatilization properties in a mixture of 30% O₂ in CO₂ are very similar to those in air.     

Heat and mass transfer at gas-phase ignition of grinded coal layer by several metal particles heated to a high temperature

Characteristics of gas-phase ignition of grinded brown coal (brand 2B, Shive-Ovoos deposit in Mongolia) layer by single and several metal particles heated to a high temperature (above 1000 K) have been investigated numerically. The developed mathematical model of the process takes into account the heating and thermal decomposition of coal at the expense of the heat supplied from local heat sources, release of volatiles, formation and heating of gas mixture and its ignition. The conditions of the joint effect of several hot particles on the main characteristic of the process–ignition delay time are determined. The relation of the ignition zone position in the vicinity of local heat sources and the intensity of combustible gas mixture warming has been elucidated. It has been found that when the distance between neighboring particles exceeds 1.5 hot particle size, an analysis of characteristics and regularities of coal ignition by several local heat sources can be carried out within the framework of the model of “single metal particle / grinded coal / air”. Besides, it has been shown with the use of this model that the increase in the hot particle height leads, along with the ignition delay time reduction, to a reduction of the source initial temperatures required for solid fuel ignition. At an imperfect thermal contact at the interface hot particle / grinded coal due to the natural porosity of the solid fuel structure, the intensity of ignition reduces due to a less significant effect of radiation in the area of pores on the heat transfer conditions compared to heat transfer by conduction in the near-surface coal layer without regard to its heterogeneous structure.     

Measurement and kinetics of elemental and atomic potassium release from a burning biomass pellet

Combining polarizing-filtered planar laser-induced fluorescence (PLIF) with simultaneous laser absorption, quantitative laser-induced breakdown spectroscopy (LIBS) and two-color pyrometry, the potassium release during the combustion of biomass fuels (corn straw and poplar) has been investigated. The temporal release profiles of volatile atomic potassium and potassium compounds from a corn straw show a single peak. The woody biomass, poplar, produces a dual-maxima distribution for potassium and potassium compounds. For both biomass samples, the highest concentrations of released atomic potassium and potassium compounds occur in the devolatilization stage. The mass ratios between volatile atomic potassium and potassium compounds in the corn straw and poplar cases are 0.77% and 0.79%, respectively. These values agree well with chemical equilibrium predictions that 0.68% of total potassium will be in atomic form. A two-step kinetic model of potassium release has been developed, which gives better predictions during the devolatilization stage than the existing single-step model. Finally, a map of potassium transformation processes during combustion is developed. Starting with inorganic and organic potassium, there are eight proposed transformation pathways including five proposed release pathways that occur during the combustion. The pathways describe the transformation of potassium between the fuel volatile matter, char, and ash. Potassium release during the devolatilization stage is due to pyrolysis and evaporation; during the char burnout stage, potassium release is due to char oxidation and decomposition; and during the ash cooking stage, potassium release is caused by reactions between the ash and H₂O in the co-flow.     

气相温度脉动对煤粉颗粒挥发分释放的影响

本文在不同的气相平均温度条件下,研究了气相温度脉动对不同粒径煤粉颗粒挥发分释放的影响。计算结果表明,与不考虑气相温度脉动相比,气相温度脉动加快了煤粉颗粒瞬时质量的下降即挥发分的释放。随着气相温度脉动强度的增加,这种加快颗粒瞬时质量下降即挥发分释放的趋势更为明显。     

逆向复式射流预燃室燃烧器煤粉颗粒行为预报

1引言预燃室燃烧技术是近十多年来开发研究的一种高燃烧效率低NO。的燃烧技术门．它是一种分级燃烧技术。燃料在预燃室内只是部分地燃烧,在贫氧的一次火焰区内脱挥发分,从而减少了NO。的形成。自1982年以来,我国开发研究了很多种类的预燃室,如旋流、大速差l‘］、偏置射流预燃室等。工程热物理研究所研究开发了逆向复式射流预燃室燃烧器l‘,‘］。经实验室和工业实验证明,该预燃室有极优良的火焰稳定性能和煤种适应性,能够实现较低的NOx排放。本文针对逆向射流预燃室内这一独特的流场结构,利用数值模拟来预报煤粉颗粒在其内的运…     

Mathematical combustion model of nanoaluminum-air suspension

This paper presents a combustion model of a nano-aluminum-air (nAl-air) suspension. The special feature of the model is performing a local mathematical model of the oxidant diffusion through an aluminum oxide layer on the particle surface taking into account the aluminum-oxidant reaction to simulate the combustion of nano-size aluminum (nAl) particles. The oxidation rate of the aluminum particles and the associated with this process the rate of heat release are determined from the solution of the local combustion problems for the entire set of nAl particles in the suspension. To obtain the suspension state parameters we solve the equation system, which includes the energy conservation equations for the gas and particles, the mass-conservation equation for the gas-dispersed mixture and the motion equations for the gas and particles controlling for the particle velocity lag. The model considers gas expansion and thus gas and particle motion. The developed model does not require setting the ignition temperature of nAl particles. The study provides the calculated propagation rate of the combustion front in the nAl-air suspension depending on the nAl mass concentration and on the initial temperature of the suspension.     

镁颗粒群非稳态着火过程数值模拟

建立了镁颗粒群着火的一维非稳态有限影响体模型, 数值模拟颗粒群中镁颗粒的着火过程. 研究表明, 当镁颗粒表面反应加剧之后,颗粒相温度急剧上升, 迅速达到着火, 而其周围气相的温升速率却远小于颗粒的温升速率; 在着火过程中气相温度只在颗粒表面附近升高比较明显, 整体温度升高不大. 分析了颗粒群内部参数和环境参数对镁颗粒群着火的影响. 随颗粒浓度的增加, 颗 粒群变得易于着火, 其着火时间变短, 但颗粒浓度增大到一定程度后, 继续增大该值将对颗粒群的着火起消极作用. 环境压力对颗粒群着火的影响比较小,在1-5 atm范围内颗粒群的着火性能基本不变. 气相中氧气浓度对颗粒群的着火性能影响也不显著, 但当氧气浓度过小时, 对着火过程的影响将大大增强.颗粒粒径、气相/颗粒相初温、辐射源温度对颗粒 群着火的影响巨大,小粒径、高温度促使颗粒群快速着火.数值模拟与文献中试验 结果的变化趋势相一致.     

Evaluation of char combustion models: measurement and analysis of variability in char particle size and density

Char samples representing a range of combustion conditions and extents of burnout were obtained from a well-characterized laminar flow combustion experiment. Individual particles from the parent coal and char samples were characterized to determine distributions in particle volume, mass, and density at different extent of burnout. The data were then compared with predictions from a comprehensive char combustion model referred to as the char burnout kinetics model (CBK). The data clearly reflect the particle-to-particle heterogeneity of the parent coal and show a significant broadening in the size and density distributions of the chars resulting from both devolatilization and combustion. Data for chars prepared in a lower oxygen content environment (6% oxygen by vol.) are consistent with zone II type combustion behavior where most of the combustion is occurring near the particle surface. At higher oxygen contents (12% by vol.), the data show indications of more burning occurring in the particle interior. The CBK model does a good job of predicting the general nature of the development of size and density distributions during burning but the input distribution of particle size and density is critical to obtaining good predictions. A significant reduction in particle size was observed to occur as a result of devolatilization. For comprehensive combustion models to provide accurate predictions, this size reduction phenomenon needs to be included in devolatilization models so that representative char distributions are carried through the calculations.     

Numerical study on K/S/Cl release during devolatilization of pulverized biomass at high temperature

In this paper, the interaction between different organic and inorganic K/S/Cl compounds in the solid structure of biomass is studied and a model is presented to predict the temporal release of K_g, HCl, CH₃Cl, KCl, KOH, K₂SO₄ and SO₂ from biomass devolatilization. Four types of pulverized biomass are chosen from literature, two of which have no chlorine content and two with chlorine content in lower stoichiometry to potassium. The results of the model are compared with the experimental measurements. In the presence of chlorine, KCl, HCl and K_g were found to be the dominant chlorine and potassium species. In the absence of chlorine, K_g dominates the release of potassium. KOH and K₂SO₄ release into the gas phase towards the end of devolatilization due to the overlapping with char combustion. SO₂ is the main sulfur species released into the gas phase. The model is coupled with a CFD solver where the gas phase chemistry of the K/S/Cl system can be studied using available chemical mechanisms for these species.     

Ignition of single coal particle in a hot furnace under normal- and micro-gravity condition

An experimental study on ignition and combustion of single particles was conducted at normal gravity (1-g) and microgravity (μ-g) for three high volatile coals with initial diameter of 1.5 and 2.0 mm, respectively. The non-intrusive twin-color pyrometry method was used to retrieve the surface temperature of the coal particle through processing the images taken by a color CCD camera. At the same time, a mathematical model considering thermal conduction inside the coal particle was developed to simulate the ignition process.Both experiments and modeling found that ignition occurred homogeneously at the beginning and then heterogeneously for the testing coal particles burning at μ-g. Experimental results confirmed that ignition temperature decreased with increasing volatile content and increasing particle size. However, contradicted to previous studies, this study found that for a given coal with certain particle size, ignition temperature was about 50–80 K lower at μ-g than that at 1-g.The model predictions agreed well with the μ-g experimental data on ignition temperature. The criterion that the temperature gradient in the space away from the particle surface equaled to zero was validated to determine the commence of homogeneous ignition. Thermal conduction inside the particle could have a noticeable effect for determining the ignition temperature. With the consideration of thermal conduction, the critical size for the phase transient from homogeneous to heterogeneous is about 700 μm at ambient temperature 1500 K and oxygen concentration 0.23.