Modeling of the submicron particles formation and initial layer ash deposition during high temperature oxy-coal combustion

The future use of coal as a fuel for power generation in the US depends on the availability of financially viable technologies for capture and storage of CO₂ emissions from power plants. Key second-generation candidates for CO₂ capture include high temperature and pressurized oxy-firing of coal, which has the potential to increase efficiency, lower capital costs, avoid air ingress and reduce oxygen requirements. However, unquantified challenges, such as flame behavior, heat transfer, ash transformation, ash deposition and char oxidation, still exist for those technologies. This study specifically focuses on the formation of submicron particles and initial layer ash deposition during high temperature oxy-coal combustion. Previous work has shown that the initial layer deposits are mainly formed of submicron size ash aerosols transported by thermophoresis. Unfortunately, the importance of submicron particle deposition has not received much attention, probably due to the insignificant deposit mass and difficulty in prediction of the submicron particles formation. In this work, models including mineral matter vaporization model, scavenging model and deposition model are developed and applied into a three-dimensional CFD framework to predict the submicron particles formation and subsequent initial layer deposits formation. The model results are comparable to experimental data. The merits of this work are that it has led to the development of a novel approach to predict both submicron particle formation and initial layer ash deposition during oxy-coal combustion.     

On the equation of pulsating flame fronts in solid fuel combustion

A strongly nonlinear equation describing the dynamics of pulsations in solid fuel combustion is obtained. The method consists of extending the problem via introduction of an artificial parameter into boundary conditions leading to a separation of the spatial and the temporal scales within a low-frequency region. The interface dynamics equation obtained through an asymptotic expansion is then extrapolated toward the original values of parameters. The key point in the derivation is to restore the unexpected form of the principal nonlinearity generating a strongly dissipative region near a stagnation point of the front which is responsible for the stability of pulsations. The results of a numerical simulation of the equation demonstrate strongly relaxational stable oscillations of the flame front velocity.     

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.     

Reactive sputtering deposition and electrochemical characterisation of thin solid electrolyte membranes for solid oxide fuel cells

Solid oxide fuel cells directly convert the chemical energy of a fuel into electricity. To enhance the efficiency of the fuel cells, the thickness of the gastight solid electrolyte membranes should be as thin as possible. Y₂O₃-stabilised ZrO₂ (YSZ) electrolyte films were prepared by reactive sputtering deposition using Zr/Y targets in Ar/O₂ atmospheres. The films were 5 – 8 μm thin and were deposited onto anode substrates made of a NiO/YSZ composite. After deposition of a cathode with the composition La_0.65Sr_0.35MnO₃ the electrochemical properties of such a fuel cell were tested under operating conditions at temperatures between 600 °C and 850 °C. Current-voltage curves were recorded and impedance measurements were performed to calculate apparent activation energies from the fitted resistance data. The conductivity of the YSZ films varied between 4.6·10⁻⁶ S/cm and 2.2·10⁻⁵ S/cm at 400 °C and the fuel cell gave a reasonable power density of 0.4 W/cm² at 0.7 V and 790 °C using H₂ with 3 % H₂O as fuel gas. The gas compositions were varied to distinguish the electrochemical processes of the anode and cathode in the impedance spectra. Paper presented at the 8th EuroConference on Ionics, Carvoeiro, Algarve, Portugal, Sept. 16–22, 2001.     

Regression of solid polymer fuel strands in opposed-flow combustion with gaseous oxidizer

The combustion of solid fuels is a complex feedback loop, coupling the decomposition of the solid fuel into volatile gases with the gas-phase combustion which is responsible for the heat flux that drives decomposition. This study aims to explore the combustion of a solid fuel, hydroxyl-terminated polybutadiene (HTPB), with different mixtures of oxygen and nitrogen in an opposed-flow burner (OFB) configuration to better understand these coupled processes. An experimental OFB setup is described, which utilizes a nichrome wire and linear variable differential transformer (LVDT) to capture regression rate and shadowgraph imaging to measure flame thickness. Experimental measurements are compared with results from a complimentary one-dimensional opposed-flow combustion model with a pyrolyzing solid fuel boundary condition that conserves mass, species, and energy at the solid-gas interface. The oxidizer mass flux, ratio of oxygen to nitrogen, and separation distance of the fuel and oxidizer are varied to understand their influence on the combustion process and subsequently their effect on the regression rate. In numerical results, fuel regression rate increases when oxygen mole fraction or mass flux increase, or when separation distance decreases. Experimental regression rates and flame thicknesses are compared to simulated results. Though the actual values do not agree exactly, numerical and experimental results are reasonably close and present similar trends. These results demonstrate the utility of simple optical diagnostics in measuring OFB flames and provide a starting point for future opposed-flow combustion model improvements.     

Compression and combustion of non-cryogenic targets with a solid thermonuclear fuel for inertial fusion

Variants of a target with a solid thermonuclear fuel in the form of deuterium-tritium hydrides of light metals for an inertial fusion have been proposed. The laser-pulse-induced compression of non-cryogenic targets, as well as ignition and combustion of such targets, has been examined. The numerical calculations show that, despite a decrease in the caloric content of the fuel and an increase in the energy losses on intrinsic radiation in the target containing deuterium-tritium hydrides of light metals as compared to the target containing deuterium-tritium ice, the non-cryogenic target can ensure the fusion gain sufficient for its use in the energy cycle of a thermonuclear power plant based on the inertial plasma confinement method.     

Alkali sulfation during combustion of coal in a pilot scale facility using additives to alter the global sulfur to potassium and chlorine to potassium ratios

Due to the urgent needs to reduce anthropogenic carbon dioxide emissions there is an increasing interest in the use of alternative fuels. For this reason, there is a need for new knowledge on how to design and adapt existing heat and power plants to biogenic and waste-derived fuels. This work relates to co-firing of biomass and coal and the sulfation of alkali chlorides in coal-fired flames doped with chemical additives. We aim to examine the global time scales of alkali sulfation and chlorination based on combustion experiments that were conducted in a 30-kW coal flame. Temperature, gas and particle composition measurements were conducted. Both experiments and modelling support that the apparent alkali sulfation kinetics are fast in a coal-fired flame and that it is dominated entirely by the presence of SO₂. The availability of oxygen and carbon monoxide, or hydrocarbons, is also critical to sustain the sulfation reaction cycle; low concentrations are sufficient. For industrial boilers this implies that sulfur addition, in combination with reburning, should constitute an efficient strategy to mitigate alkali-chlorination and the related high temperature corrosion.     

Structures of the particles of the condensed dispersed phase in solid fuel combustion products plasma

The results of experimental investigations of a type of dusty plasma which has been least studied—the plasma of solid fuel combustion products—were presented. Experiments to determine the parameters of the plasma of the combustion products of synthetic solid fuels with various compositions together with simultaneous diagnostics of the degree of ordering of the structures of the particles of the dispersed condensed phase were performed. The measurements showed that the charge composition of the plasma of the solid fuels combustion products depends strongly on the easily ionized alkali-metal impurities which are always present in synthetic fuel in one or another amount. An ordered arrangement of the particles of a condensed dispersed phase in structures that form in a boundary region between the high-temperature and condensation zones was observed for samples of aluminum-coated solid fuels with a low content of alkali-metal impurities.     

Reaction mechanisms of the copper-manganese spinel cathode in a solid oxide fuel cell

Cu_1.25Mn_1.75O₄ spinel (CMO) was studied as a potential solid oxide fuel cell (SOFC) cathode material at intermediate temperatures. The reaction mechanism of a composite cathode consisting of Cu_1.25Mn_1.75O₄ and yttria-stabilized zirconia (YSZ) was investigated by impedance spectroscopy. The influence of the CMO/YSZ ratio, time exposed to current passage and temperature on the impedance spectra was examined. Activation energy of the corresponding processes was calculated to be near 1 eV and between 1.32 and 1.96 eV for the high and low frequency arcs in the impedance spectra. Comparison between CMO-YSZ and Sr-doped LaMnO₃ (LSM)-YSZ composite cathodes showed they had similar reaction mechanisms. The transport or transfer of oxygen intermediates or oxide ions between the catalyst and electrolyte was suggested to be the rate determining steps between 700 and 800 °C, whereas dissociative adsorption, mass transfer and surface diffusion were rate controlling between 600 and 700 °C.     

Characteristics of the sub-micron ash aerosol generated during oxy-coal combustion at atmospheric and elevated pressures

This paper is concerned with the effect of pressure on the particle size distribution and the size-segregated composition of the sub-micron ash aerosol created during oxy-coal combustion under near practical self-sustaining combustion conditions. The problem is important because pressurized oxy-coal combustion has been proposed as one promising technology to minimize CO₂ emissions. Sub-micron ash plays a major role in ash deposition mechanisms, which, in turn, can control boiler performance. In this work, the same bituminous coal was burned at pressures of 1, 8 and 15 bar in O₂/CO₂ environments. Tests employed a 100 kW (rated) oxy-fuel combustor (OFC) operated at atmospheric pressure (1 bar) and a 300 kW (rated) entrained-flow pressurized reactor (EFPR) at elevated pressures (8 and 15 bar). Although these tests were conducted under near practical combustion conditions, confounding effects of peak flame temperature variations were minimized for the 1 bar and 15 bar tests, allowing the role of elevated pressure to be isolated. For the EFPR tests, a specially designed sampling system was used to sample sub-micron ash aerosols from the pressurized combustor and is described in detail. Results showed that at the same peak temperature but higher pressure, the fractions of ash aerosol partitioned into the PM_0.6 and PM₁ size fractions were greatly diminished. Moreover, elevated pressures caused significant changes in the composition of the (size-segregated) sub-micron aerosol, especially in its alkali content, which increased significantly. Examination of fractions of each element that ended up in the sub-micron fume suggested that, at constant temperature, the effect of pressure on vaporization of semi-volatile metals was very different from that on the release into the gas phase of non-volatile metals and could not be explained by equilibrium.     

Mechanism on the contribution of coal/char fragmentation to fly ash formation during pulverized coal combustion

In this paper, the correlations between coal/char fragmentation and fly ash formation during pulverized coal combustion are investigated. We observed an explosion-like fragmentation of Zhundong coal in the early devolatilization stage by means of high-speed photography in the Hencken flat-flame burner. While high ash-fusion (HAF) bituminous and coal-derived char samples only undergo gentle perimeter fragmentation in the char burning stage. Simultaneously, combustion experiments of two kinds of coals were conducted in a 25?kW down-fired combustor. The particle size distributions (PSDs) of both fine particulates (PM_1-10) and bulk fly ash (PM₁₀₊) were measured by Electrical Low Pressure Impactor (ELPI) and Malvern Mastersizer 2000, respectively. The results show that the mass PSD of residual fly ash (PM₁₊) from Zhundong coal exhibits a bi-modal shape with two peaks located at 14?µm and 102?µm, whereas that from HAF coal only possesses a single peak at 74?µm. A hybrid model accounting for multiple-route ash formation processes is developed to predict the PSD of fly ash during coal combustion. By incorporating coal/char fragmentation sub-models, the simulation can quantitatively reproduce the measured PM₁₊ PSDs for different kinds of coals. The sensitivity analysis further reveals that the bi-modal mass distribution of PM₁₊ intrinsically results from the coal fragmentation during devolatilization.     

Simulation on soot deposition and combustion in diesel particulate filter

We have simulated the flow in a real cordierite DPF using the lattice Boltzmann method. Inner structure of the filter is analyzed by a 3D X-ray CT technique. Two processes of soot deposition for PM trap and soot combustion for filter regeneration process are considered. Especially, the effect of NO₂ on the soot oxidation is examined, which is recently proposed as on-board regeneration system. The reaction rate has been determined based on previous experimental data. The estimated values of Arrhenius factor and activation energy are A = 146 1/s, E = 79.5 kJ/mol with NO₂, and A = 1.20 1/s, E = 64.9 kJ/mol without NO₂. Results show that, the flow field and pressure change inside the filter are clearly visualized. The pressure distribution depends on the non-uniformity of pore structure. The flow is largely changed with soot deposition, with higher pressure drop across the filter (filter back-pressure). The obtained correlation between total accumulated soot and the filter back-pressure is well in accordance with reported experimental results. In combustion simulation, the effect of NO₂ addition to promote the soot oxidation is confirmed. These are useful information to develop the future regenerating DPF system.     

The three-dimensional numerical simulation of aluminized composite solid propellant combustion

A three-dimensional numerical framework is presented that examines the burning of aluminized solid propellants. The numerical solver accounts for heat conduction in the solid, combustion in the gas phase, and coupling of these by means of a level set method. The aluminium particles are treated as heat conducting solid spheres. The aluminium particle detachment process is modelled using level sets, but once the particle becomes free from the surface, its subsequent motion in the gas phase is governed by particle dynamics. Some preliminary calculations of the three-dimensional combustion field supported by a pack with embedded aluminium particles are presented.     

The numerical simulation of two-dimensional aluminized composite solid propellent combustion

A numerical framework is presented which examines, for the first time, the burning of two-dimensional aluminized solid propellants. Aluminized composite propellants present a difficult mathematical and numerical challenge because of complex physics and topological changes that occur at the propellant surface. For example, both mathematical models and appropriate numerical solvers must describe the regressing burning surface, aluminium particle detachment and evolution throughout the gas-phase flow field, surface tension effects, ignition and combustion of aluminium particles, phase change effects, agglomeration of aluminium particles, radiation feedback to the propellant surface, to name a few. All of these effects must be modelled in a consistent manner. A numerical framework for which these effects can be included in a rational fashion is currently being developed. This framework includes the level set method to capture the solid–gas interface as well as particle motion in the gas phase. Some preliminary calculations of the two-dimensional combustion field supported by a disc pack with embedded aluminium particles are presented.     

Electrical properties of thin yttria-stabilized zirconia overlayers produced by atomic layer deposition for solid oxide fuel cell applications

Thin films of yttria-stabilized zirconia (YSZ) electrolyte were prepared by atomic layer deposition at 300 °C for solid oxide fuel cell (SOFC) applications. YSZ samples of 300-1000 nm thickness were deposited onto La_0.8Sr_0.2MnO₃ (LSM) cathodes. A microstructural study was performed on these samples and their electrical properties were characterised between 100 and 390 °C by impedance spectroscopy. A remarkable feature is that the as-deposited layers were already crystalline without any annealing treatment. Their resistance decreased when reducing the layer thickness; nevertheless, their conductivity and activation energy were significantly lower than those reported in the literature for bulk YSZ.