Regimes of the filtration combustion of structured heterogeneous systems

An analysis of the characteristics of the combustion front in a multilayer porous system with radiative heat transfer and filtration mass transfer of gaseous reactants into the exothermic conversion zone is presented. At moderate pressures, the mass of the gas in the porous layer is smaller than that required by stoichiometry, and, therefore, filtration transport without diffusion from the ambient medium occurs. It was taken into account that the bulk heat release in the porous media can be limited by both the kinetics of the exothermic chemical reaction and the filtration transport of a gaseous reactant from the ambient medium. The effect of filtration on the characteristics of relay-race combustion was examined. The characteristics of the front and the dynamics of the conversion of the elements of the discrete system were determined. The characteristics of the relay-race filtration combustion front under conditions of heat losses into the ambient medium were examined, and the possibility of existence of two steady regimes, with a low- and a high-temperature relay-race combustion front, was demonstrated. At heat losses above a critical level, relay-race combustion extinguishes. A numerical analysis of relay-race combustion regimes under nonadiabatic conditions showed that the low-temperature front is absolutely unstable and made it possible to study the dynamics of the onset of high-temperature relay-race filtration combustion.     

The preparation of composition materials by the frontal polymerization method

The structure (the distribution of temperature fields and reagent concentrations) and rate of the propagation of the self-sustained monomer exothermic polymerization front in porous fillers were studied from the point of view of the theory of combustion. A two-temperature mathematical model of polymerization was suggested. The model included the main macrokinetic rules governing the process, the exothermic character of chemical interaction, and heat exchange with taking into account the characteristics of the porous filler medium. The rules governing the frontal-volume polymerization regime were studied. The influence on the dynamics of the process of such factors as the initial temperature of the medium, initiation temperature, and heat loss into the environment was studied.     

Stabilization of the front of polymerization of composite materials in a plug-flow reactor

The polymerization of composite materials in a plug-flow reactor is studied based on the theory of combustion. A two-temperature mathematical model of the self-sustained exothermic polymerization front in a monomer-filler mixture is developed with consideration given to the basic macrokinetic characteristics of the process, exothermicity of the chemical reaction, and heat transfer. The structure of the fields of temperature and concentrations of the reactants in the front is studied. The influence of special heat-transfer elements, preheating the feedstock supplied into the reactor, on the dynamics of the polymerization process and on the stabilization of the polymerization front is examined.     

A mathematical model of hotspot condensed phase ignition in the presence of a competitive endothermic reaction

We consider the propagation of a combustion front resulting from the gasless combustion of a condensed state fuel. The propagation of the front, essentially a premixed laminar flame, is supported by an exothermic reaction subject to possible heat loss through a competitive endothermic reaction. The dynamics of the endothermic process inducing the heat loss strongly depend on the temperature and the local fuel concentration. Through an analysis based on high activation energy, the steady-state values of the final burnt temperature as well as the burning velocity are obtained, and the control parameters are identified. Using a linear perturbation method, we assess the stability of the propagating front and obtain a condition for oscillatory behaviour. The critical parameter values for the transition from steady to oscillatory burning speeds are identified. The results represent a generalization of those obtained by Matkowsky and Sivashinsky to include the effects of heat loss induced by a competitive endothermic reaction.     

Gasless combustion wave with extremely high excess enthalpy under heat loss conditions

A numerical experiment on investigation of a gasless combustion wave propagating at the limit due to a high excess enthalpy in the heating zone is performed. Under heat loss conditions, waves emerge on the surface of the combustion front, causing changes in the rate of chemical reactions similar to those realized on the burning surface of propellants and explosives.     

One-dimensional model of steady filtration combustion front

The stability of the front of a steady combustion wave propagating through a porous medium was examined. It was assumed that the inflow of the gaseous reactant from outside into the reaction zone is determined by the chemical interaction mechanism. Changes in the mass of the products and in the thermophysical parameters of the condensed component during combustion were taken into account. The wave structure arising during the exothermic conversion of such systems was studied, the boundary of steady combustion was determined, and the character of loss of stability with respect to one-dimensional spatial perturbations was examined.     

Cellular and sporadic flame regimes of low-Lewis-number stretched premixed flames

3D structure and dynamical behavior of low-Lewis-number stretched premixed flames are numerically simulated within the framework of a thermo-diffusive model with one-step chemical reaction. The results are compared with microgravity experiments at qualitative level. The influence of Lewis number, equivalence ratio, and heat loss intensity on flame structure is investigated. It is experimentally and numerically found that lean counterflow flames can appear as a set of separate ball-like flames in a state of chaotic motion. It is shown that the time averaged flame balls coordinate may be considered as important characteristic similar to coordinate of continuous flame front. Numerical simulations reveal essential incompleteness of combustion at high level of heat losses. This incompleteness occurs in the process of lean mixtures combustion and is caused by fuel leakage through the gaps among ball-like flames.     

Effect of thermo-hydrodynamic instability on structure and characteristics of filtration combustion wave of solid fuel

Numerical modelling of flame front stability for the inverse wave (with trailing combustion front) of filtration combustion of solid fuel is performed. The problem is treated in terms of dimensionless variables and parameters. It is found that propagation of a plane combustion front becomes unstable under certain conditions. In this case the front spontaneously inclines. The thermo-hydrodynamic mechanism is supposed to be responsible for instability developing. Anisotropic effective mass diffusivity (dispersion) is also taken into account. It turns out that anisotropic diffusivity affects structure and conversion distribution of the inclined combustion front. It is shown that the key parameters determining stability of combustion wave are dimensionless gas flow rate and width of reactor. The range of these parameters corresponding to the stable plane front is determined. It is shown that stability occurs either for small reactor widths (dimensionless values <1), or low gas flow rate (below 0.2). The optimised values of considered dimensionless parameters for maximal productivity are determined.     

Filtration combustion of a porous structure in a multicomponent gas environment

A mathematical model for describing the quasi-isobaric filtration combustion of porous materials with the formation of condensed reaction products in a multicomponent gas is developed. Two-stage combustion waves (control modes) at the counter filtration of gas mixture are examined. The effect of inert gas component on the structure of a two-stage filtration combustion wave is studied, and the critical conditions of the changeover between filtration combustion modes caused by inert gas concentration variation are determined. It is demonstrated the characteristics of the two-stage combustion front propagating in the control mode in a multicomponent gas flow depends on the porosity of the heterogeneous system.     

Simulation of front motion in a reacting condensed two phase mixture

The computational technique is developed in order to provide the scale capturing for numerical simulation of the thermal processes. The thermal front motion and gas flow dynamics as well as the rate of particle growth during the Carbon Combustion Synthesis of Oxides (CCSO) were predicted using the numerical simulation. In CCSO the exothermic oxidation of carbon nanoparticles generates a self-sustained thermal reaction front that propagates through the solid reactant mixture converting it to the desired complex oxides. The combusted carbon is emitted from the sample as carbon dioxide and its high rate of release increases the product porosity and friability. It was shown that the complicated finger front instability can be developed during the carbon combustion synthesis. This phenomenon results from a vortex gas flow in the reaction zone fed by the carbon dioxide co-flow and oxygen counter-flow filtration.     

Gasless combustion of a mixture with an extremely low caloricity under heat loss conditions

The gasless combustion of a mixture with an extremely low caloric value in a cylindrical channel is numerically simulated. Because of an intense heat loss, on the surface of the reaction front emerge waves, which lead to cyclic changes in the chemical reaction rate, which acquire axial symmetry in the steady-state regime. In the ignition stage, a ring of reaction sites arises at the lateral surface of the sample. In the stage of depression, combustion persists on circular protrusions of the front, whereas a site of products is formed is the central part of the sample.     

Combustion in the future: The importance of chemistry

Combustion involves chemical reactions that are often highly exothermic. Combustion systems utilize the energy of chemical compounds released during this reactive process for transportation, to generate electric power, or to provide heat for various applications. Chemistry and combustion are interlinked in several ways. The outcome of a combustion process in terms of its energy and material balance, regarding the delivery of useful work as well as the generation of harmful emissions, depends sensitively on the molecular nature of the respective fuel. The design of efficient, low-emission combustion processes in compliance with air quality and climate goals suggests a closer inspection of the molecular properties and reactions of conventional, bio-derived, and synthetic fuels. Information about flammability, reaction intensity, and potentially hazardous combustion by-products is important also for safety considerations. Moreover, some of the compounds that serve as fuels can assume important roles in chemical energy storage and conversion. Combustion processes can furthermore be used to synthesize materials with attractive properties.A systematic understanding of the combustion behavior thus demands chemical knowledge. Desirable information includes properties of the thermodynamic states before and after the combustion reactions and relevant details about the dynamic processes that occur during the reactive transformations from the fuel and oxidizer to the products under the given boundary conditions. Combustion systems can be described, tailored, and improved by taking chemical knowledge into account. Combining theory, experiment, model development, simulation, and a systematic analysis of uncertainties enables qualitative or even quantitative predictions for many combustion situations of practical relevance.This article can highlight only a few of the numerous investigations on chemical processes for combustion and combustion-related science and applications, with a main focus on gas-phase reaction systems. It attempts to provide a snapshot of recent progress and a guide to exciting opportunities that drive such research beyond fossil combustion.     

Numerical Investigation of Exergy Loss of Ammonia Addition in Hydrocarbon Diffusion Flames

In this paper, a theoretical numerical analysis of the thermodynamics second law in ammonia/ethylene counter-flow diffusion flames is carried out. The combustion process, which includes heat and mass transfer, as well as a chemical reaction, is simulated based on a detailed chemical reaction model. Entropy generation and exergy loss due to various reasons in ammonia/ethylene and argon/ethylene flames are calculated. The effects of ammonia addition on the thermodynamics efficiency of combustion are investigated. Based on thermodynamics analysis, a parameter, the lowest emission of pollutant (LEP), is proposed to establish a relationship between the available work and pollutant emissions produced during the combustion process. Chemical reaction paths are also analyzed by combining the chemical entropy generation, and some important chemical reactions and substances are identified. The numerical results reveal that ammonia addition has a significant enhancement on heat transfer and chemical reaction in the flames, and the total exergy loss rate increases slightly at first and then decreases with an increase in ammonia concentration. Considering the factors of thermodynamic efficiency, the emissions of CO₂ and NOx reach a maximum when ammonia concentration is near 10% and 30%, respectively. In terms of the chemical reaction path analysis, ammonia pyrolysis and nitrogen production increase significantly, while ethylene pyrolysis and carbon monoxide production decrease when ammonia is added to hydrocarbon diffusion flames.     

Detonation development in hydrogen/air mixtures inside a closed chamber: role of a cold wall

Detonation development from a hot spot has been extensively studied, where ignition occurs earlier than that in the surrounding mixtures. It has also been reported that a cool spot can induce detonation for large hydrocarbon fuels with Negative Temperature Coefficient (NTC) behavior, since ignition could happen earlier at lower temperatures. In this work we find that even for hydrogen/air mixtures without NTC behaviors, a cold wall can still initiate and promote detonation. End-wall reflection of the pressure wave and wall heat loss introduce an exothermic center outside the boundary layer, and then autoignitive reaction fronts on both sides may evolve into detonation waves. The right branch can be further strengthened by appropriate temperature gradient near the cold wall, and exhibits different dynamics at various initial conditions. The small excitation time and the large diffusivity of hydrogen provide the possibility for detonation development within the limited space between the autoignition kernel and the cold wall. Moreover, detonation may also develop near the flame front, which may or may not co-exist with detonation waves from the cold wall. Correspondingly, wall heat flux evolution exhibits different responses to detailed dynamic structures. Finally, we propose a regime diagram describing different combustion modes including normal flame, autoignition, and detonation from the wall and/or the reaction front. The boundary of normal flame regime qualitatively agrees with the prediction by the Livengood-Wu Integral method, while the detonation development from both the end wall and the reaction front observes Zel'dovich mechanism. Compared to hydrocarbons, hydrogen is resistant to knock onset but it is more prone to superknock development. The latter mode becomes more destructive in the presence of wall heat loss. This study isolates and identifies the role of wall heat loss on a potential mechanism for superknock development in hydrogen-fueled spark-ignition engines.     

Flame balls with thermally sensitive intermediate kinetics

Spherical flame balls are studied using a model for the chemical kinetics which involves a non-exothermic autocatalytic reaction, describing the chain-branching generation of a chemical radical and an exothermic completion reaction, the rate of which does not depend on temperature. When the chain-branching reaction has a large activation temperature, an asymptotic structure emerges in which the branching reaction generates radicals and consumes fuel at a thin flame interface, although heat is produced and radicals are consumed on a more distributed scale. Another model, based more simply, but less realistically, on the generation of radicals by decomposition of the fuel, provides exactly the same leading order matching conditions. These can be expressed in terms of jump conditions across a reaction sheet that are linear in the dependent variables and their normal gradients. Using these jump conditions, a reactive–diffusive model with linear heat loss then leads to analytical solutions that are multivalued for small enough levels of heat loss, having either a larger or a smaller radius of the interface where fuel is consumed. The same properties are found, numerically, to persist as the activation temperature of the branching reaction is reduced to values that seem to be typical for hydrocarbon chemistry. Part of the solution branch with larger radius is shown to become stable for low enough values of the Lewis number of the fuel.     

Characterization of symmetric to non-symmetric flamefront transition in slender microchannels

The purpose of the present work is to analyze propagating two-dimensional flames confined in slender semi open channels, where the combustion process takes place towards the closed end. The study focuses on the calculation of the growth rate of the transition from symmetric to non-symmetric flames propagation identified by Jiménez et al. [1].The combustion cell is initially filled with a stoichiometric mixture of fuel and air at standard conditions. Ignition is induced close to the open end of the channel under planar and gaussian profiles in temperature and species mass fractions which activate a sustained combustion process. The gases inside the chamber, initially stagnant, are accelerated due to the heat generated in the chemical reactions, leading to the development of lateral boundary layers, so that the hot gases exit the channel following a Poiseuille velocity profile. This transverse flow velocity differences are accommodated by means of a symmetric tulip shape formed after a short initial transient.Acoustic waves generated in the ignition process, keep travelling along the channel, bouncing at the walls and interacting with the flame during all the combustion process. Additionally, the flame structure, curved by Darrieus-Landau instability, interacts with the pressure waves triggering small amplitude oscillations (primary oscillation mode), which under certain conditions can transition to higher amplitude oscillations (secondary mode).This transition is observed to be highly dependent not only on the cell geometry, but also in the initial conditions generated by the ignition procedure.The aim of this work is to improve the understanding of this process, complementing the work of Jiménez et al. [1], and to characterize the effect of the channel width in this transition.     

Influence of the heat loss intensity on the characteristics of the filtration combustion of solid organic fuels

The effect of lateral heat loss on the characteristics of the filtration combustion of solid organic fuels is studied experimentally and theoretically. The results show that, for an reaction trailing, an increase in the heat loss intensity leads to a marked reduction in the combustion temperature and an increase in the temperature at which fuel pyrolysis is complete, with the yield of liquid pyrolysis products remaining practically unchanged. For a reaction leading, an increase in the heat transfer coefficient causes a reduction in the combustion temperature and the yield of liquid pyrolysis products.     

Specifics of the combustion of aluminum-water mixtures

Experimental studies of the combustion of mixtures of micron-sized flaky aluminum powder with unthickened water in different conditions at atmospheric and high pressure in nitrogen and argon are performed. The density and composition of the mixture are varied. The regularities of the combustion have been established. A filtration wave of hot hydrogen ahead of the combustion front in samples with high porosity has been revealed. For the combustion under a nitrogen atmosphere, the pressure exponent in the burning rate law is close to 0.47 in a wide range of pressures. For the combustion under an argon atmosphere at pressures above 50 atm, the pressure exponent becomes zero or negative. Aluminum powder is demonstrated to be able to burn under conditions of a separated charge, where the fuel (aluminum) and oxidizer (water) are separated by a thin partition or brought in direct contact. The fast convective burning of aluminum-water mixtures in a semiclosed volume is discovered.     

Combustion Wave Stability in Transition through the Interface of Gasless Systems

In this paper, using mathematical modeling, we study combustion wave stability in transition through the interface of gasless systems. The effect of a gas layer separating two chemically active gasless layers on the combustion wave stability was studied at all stages of the transition. Using the criteria obtained, we estimate the stability conditions of the transition combustion wave. The nonstationary dynamics of the combustion wave transition through the gas gap is studied with allowance for competing mechanisms of heat transfer, such as conductive and radiant transfer. We analyze the effect of radiation heat transfer in the gas gap on the characteristics and stability of the transient combustion process. The failure region of the igniter combustion wave is determined through the approach to the ignition system, while estimates of temperature and heat flux at the interface of the systems are given with respect to the time of the igniter combustion completion under conditions of dominant conductive and radiant heat transfer.     

Lower concentration limit of carbon filtration combustion

For mixtures of carbon materials and an inert filler, dependences of the characteristics of the filtration combustion wave on the gaseous oxidizer supply rate at a fuel content in the mixture of less than 7 wt % were obtained. The existence of a lower concentration limit for a steady-state filtration combustion wave was established. It was demonstrated that at a given intensity of heat loss, the concentration limits are determined by the reactivity of the carbon material and the oxidizer supply rate. At the effective coefficient of heat loss α = 8 W/(m² K), effective conductivity of mixture material λ = 2 W/(m K), and air supply rate G = 0.1 m/s, the lowest fraction of carbon in the mixture at which combustion is still possible was 4.5 wt % for carbon-carbon composite, 2.5 wt % for activated birch coal, and 2.0 wt % for birch coal, the most reactive kind of carbon.