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At least 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Multi-regime mixing modeling for local extinction and re-ignition in turbulent non-premixed flame by using LES/FDF method

Local extinction and re-ignition occur in turbulent non-premixed combustion when the Damköhler number is not large enough and the combustion is not fully mixing controlled. The occurrence of local extinction introduces locally extinguished flame holes followed by a premixed flame propagation toward the hole center to potentially reignite the flame. The co-existence of the non-premixed and premixed combustion regimes complicates the modeling since traditional combustion models are mostly for a single regime. In this work, we examine the effect of multi-regime mixing modeling in the transported filtered density function (FDF) method on the predictions of local extinction and reignition. Predictions of local extinction and reignition remain a challenge for the FDF method despite the progress made in the past. To account for the multi-regime combustion, two different mixing timescale models for non-premixed and premixed combustion are combined. A flame index based on the gradients of fuel and oxidizer is used to define a weighting factor to blend the two mixing timescale models. A turbulent jet non-premixed flame with substantial local extinction, the Sydney piloted jet flame L, is adopted as a test case to examine the performance of the multi-regime model in large-eddy simulation/FDF modeling. It is found that the traditional non-premixed mixing timescale model when combined with the modified Curl mixing leads to global extinction for the Sydney flame L without the presence of the premixed combustion regime. After accounting for the multi-regime combustion with proper detection of the different combustion regimes, the predictions for the flame statistics and the amount of local extinction are significantly improved. Furthermore, it suggests the need of including multi-regime combustion for the predictions of local extinction and re-ignition in turbulent non-premixed combustion configurations.

42 ENGINEERING↗
DOE OSTI2022

Soot-particle core-shell and fractal structures from small-angle X-ray scattering measurements in a flame

We have characterized soot particles measured in situ in a laminar co-flow ethylene-air diffusion flame using small-angle X-ray scattering (SAXS). The analysis includes temperature measurements made with coherent anti-Stokes Raman spectroscopy (CARS) and complements soot volume-fraction and maturity measurements made with laser-induced incandescence (LII). We compared the results of fits to the SAXS measurements using a unified model and a fractal core-shell model. Power-law parameters yielded by the unified model indicate that aggregates of primary particles are in the mass-fractal regime, whereas the primary particles are in the surface-fractal regime in the middle of the flame. Higher and lower in the flame, the primary-particle power-law parameter approaches 4, suggesting smooth primary particles. Furthermore, these trends are consistent with fits using the fractal core-shell model, which indicate that particles have an established core-shell structure in the middle of the flame and are internally homogeneous at higher and lower heights in the flame. Primary-particle size distributions derived using the fractal core-shell model demonstrate excellent agreement with distributions inferred from transmission electron microscopy (TEM) images in the middle of the flame. Higher in the flame, a second small mode appears in the size distributions, suggesting particle fragmentation during oxidation. Surface oxidation would explain (1) aggregate fragmentation and (2) loss of core-shell structure leading to smoother primary-particle surfaces by removal of carbon overlayers. SAXS measurements are much more sensitive to incipient and young soot particles than LII and demonstrate significant volume fraction from particles low in the flame where the LII signal is negligible.

42 ENGINEERING↗
DOE OSTI2011

Evolution of soot size distribution in premixed ethylene/air and ethylene/benzene/air flames: Experimental and modeling study

The effect of benzene concentration in the initial fuel on the evolution of soot size distribution in ethylene/air and ethylene/benzene/air flat flames was characterized by experimental measurements and model predictions of size and number concentration within the flames. Experimentally, a scanning mobility particle sizer was used to allow spatially resolved and online measurements of particle concentration and sizes in the nanometer-size range. The model couples a detailed kinetic scheme with a discrete-sectional approach to follow the transition from gas-phase to nascent particles and their coagulation to larger soot particles. The evolution of soot size distribution (experimental and modeled) in pure ethylene and ethylene flames doped with benzene showed a typical nucleation-sized (since particles do not actually nucleate in the classical sense particle inception is often used in place of nucleation) mode close to the burner surface, and a bimodal behavior at greater height above burner (HAB). However, major features were distinguished between the data sets. The growth of nucleation and agglomeration-sized particles was faster for ethylene/benzene/air flames, evidenced by the earlier presence of bimodality in these flames. The most significant changes in size distribution were attributed to an increase in benzene concentration in the initial fuel. However, these changes were more evident for high temperature flames. In agreement with the experimental data, the model also predicted the decrease of nucleation-sized particles in the postflame region for ethylene flames doped with benzene. This behavior was associated with the decrease of soot precursors after the main oxidation zone of the flames. (author)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

DNS of a turbulent lifted DME jet flame

A three-dimensional direct numerical simulation (DNS) of a turbulent lifted dimethyl ether (DME) slot jet flame was performed at elevated pressure to study interactions between chemical reactions with low-temperature heat release (LTHR), negative temperature coefficient (NTC) reactions and shear generated turbulence in a jet in a heated coflow. By conditioning on mixture fraction, local reaction zones and local heat release rate, the turbulent flame is revealed to exhibit a “pentabrachial” structure that was observed for a laminar DME lifted flame [Krisman et al., (2015)]. The propagation characteristics of the stabilization and triple points are also investigated. Potential stabilization points, spatial locations characterized by preferred temperature and mixture fraction conditions, exhibit autoignition characteristics with large reaction rate and negligible molecular diffusion. The actual stabilization point which coincides with the most upstream samples from the pool of potential stabilization points fovr each spanwise location shows passive flame structure with large diffusion. The propagation speed along the stoichiometric surface near the triple point is compared with the asymptotic value obtained from theory [Ruetsch et al., (1995)]. At stoichiometric conditions, the asymptotic and averaged DNS values of flame displacement speed deviate by a factor of 1.7. However, accounting for the effect of low-temperature species on the local flame speed increase, these two values become comparable. In conclusion, this suggests that the two-stage ignition influences the triple point propagation speed through enhancement of the laminar flame speed in a configuration where abundant low-temperature products from the first stage, low-temperature ignition are transported to the lifted flame by the high-velocity jet.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Interaction of turbulent premixed flames with combustion products: Role of stoichiometry

Stabilization methods of turbulent flames often involve mixing of reactants with hot products of combustion. The stabilizing effect of combustion product enthalpy has been long recognized, but the role played by the chemical composition of the product gases is typically overlooked. We employ a counterflow system to pinpoint the effects of the combustion product stoichiometry on the structure of turbulent premixed flames under conditions of both stable burning and local extinction. To that end, a turbulent jet of lean-to-rich, CH 4 /O 2 /N 2 -premixed reactants at a turbulent Reynolds number of 1050 was opposed to a stream of hot products of combustion that were generated in a preburner. While the combustion product stream temperature was kept constant, its stoichiometry was varied independently from that of the reactant stream, leading to reactant-to-product stratification of relevance to practical combustion systems. The detailed structure of the turbulent flame front was analyzed in two series of experiments using laser-induced fluorescence (LIF): joint CH 2 O LIF and OH LIF measurements and joint CO LIF and OH LIF measurements. Results revealed that a decrease in local CH 2 O+OH and CO+OH reaction rates coincide with the depletion of OH radicals in the vicinity of the combustion product stream. These critical combustion reaction rates were more readily quenched in the presence of products of combustion from a stoichiometric flame, whereas they were favored by lean combustion products. As a result, stoichiometric combustion products contributed to a greater occurrence of local extinction. Furthermore, they limited the capacity of premixed reactants to ignite and of the turbulent premixed flames to stabilize. In contrast, lean and rich combustion products facilitated flame ignition and stability and reduced the rate of local extinction. The influence of the combustion product stream on the turbulent flame front was limited to a zone of approximately two millimeters from the gas mixing layer interface (GMLI) of the product stream. As a result, flame fronts that were separated from the GMLI by larger distances were unaffected by the product stream stoichiometry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Potential human exposure to halogenated flame-retardants in elevated surface dust and floor dust in an academic environment

Most households and workplaces all over the world possess furnishings and electronics, all of which contain potentially toxic flame retardant chemicals to prevent fire hazards. Indoor dust is a recognized repository of these types of chemicals including polybrominated diphenyl ethers (PBDEs) and non-polybrominated diphenyl ethers (non-PBDEs). However, no previous U.S. studies have differentiated concentrations from elevated surface dust (ESD) and floor dust (FD) within and across microenvironments. We address this information gap by measuring twenty-two flame-retardant chemicals in dust on elevated surfaces (ESD; n=10) and floors (FD; n=10) from rooms on a California campus that contain various concentrations of electronic products. We hypothesized a difference in chemical concentrations in ESD and FD. Secondarily, we examined whether or not this difference persisted: (a) across the studied microenvironments and (b) in rooms with various concentrations of electronics. A Wilcoxon signed-rank test demonstrated that the ESD was statistically significantly higher than FD for BDE-47 (p=0.01), BDE-99 (p=0.01), BDE-100 (p=0.01), BDE-153 (p=0.02), BDE-154 (p=0.02), and 3 non-PBDEs including EH-TBB (p=0.02), BEH-TEBP (p=0.05), and TDCIPP (p=0.03). These results suggest different levels and kinds of exposures to flame-retardant chemicals for individuals spending time in the sampled locations depending on the position of accumulated dust. Therefore, further research is needed to estimate human exposure to flame retardant chemicals based on how much time and where in the room individuals spend their time. Such sub-location estimates will likely differ from assessments that assume continuous unidimensional exposure, with implications for improved understanding of potential health impacts of flame retardant chemicals. - Highlights: • Brominated flame retardants used in electronic products accumulate in room dust • Various chemical moieties of flame retardants leach differently into room dust • Flame retardant concentrations in dust differ in elevated surfaces compared to floors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Examination of the effect of differential molecular diffusion in DNS of turbulent non-premixed flames

Here, the effect of differential molecular diffusion (DMD) in turbulent non-premixed flames is studied by examining two previously reported DNS of temporally evolving planar jet flames, one with CO/H 2 as the fuel and the other with C 2 H 4 as the fuel. The effect of DMD in the CO/H 2 DNS flames in which H 2 is part of fuel is found to behave similar to laminar flamelet, while in the C 2 H 4 DNS flames in which H 2 is not present in the fuel it is similar to laminar flamelet in early stages but becomes different from laminar flamelet later. The scaling of the effect of DMD with respect to the Reynolds number Re is investigated in the CO/H 2 DNS flames, and an evident power law scaling (~Re –a with a a positive constant) is observed. The scaling of the effect of DMD with respect to the Damkohler number Da is explored in both laminar counter-flow jet C 2 H 4 diffusion flames and the C 2 H 4 DNS flames. A power law scaling (~ Da a with a a positive constant) is clearly demonstrated for C 2 H 4 nonpremixed flames.

08 HYDROGEN↗
DOE OSTI2015

Response analysis of a laminar premixed M-flame to flow perturbations using a linearized compressible Navier-Stokes solver

The response of a laminar premixed methane-air flame subjected to flow perturbations around a steady state is examined experimentally and using a linearized compressible Navier-Stokes solver with a one-step chemistry mechanism to describe combustion. The unperturbed flame takes an M-shape stabilized both by a central bluff body and by the external rim of a cylindrical nozzle. This base flow is computed by a nonlinear direct simulation of the steady reacting flow, and the flame topology is shown to qualitatively correspond to experiments conducted under comparable conditions. The flame is then subjected to acoustic disturbances produced at different locations in the numerical domain, and its response is examined using the linearized solver. This linear numerical model then allows the componentwise investigation of the effects of flow disturbances on unsteady combustion and the feedback from the flame on the unsteady flow field. It is shown that a wrinkled reaction layer produces hydrodynamic disturbances in the fresh reactant flow field that superimpose on the acoustic field. This phenomenon, observed in several experiments, is fully interpreted here. The additional perturbations convected by the mean flow stem from the feedback of the perturbed flame sheet dynamics onto the flow field by a mechanism similar to that of a perturbed vortex sheet. The different regimes where this mechanism prevails are investigated by examining the phase and group velocities of flow disturbances along an axis oriented along the main direction of the flow in the fresh reactant flow field. It is shown that this mechanism dominates the low-frequency response of the wrinkled shape taken by the flame and, in particular, that it fully determines the dynamics of the flame tip from where the bulk of noise is radiated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Modeling Nanosecond-Pulsed Spark Discharge and Flame Kernel Evolution

Dilute combustion, either using exhaust gas recirculation or with excess air, is considered a promising strategy to improve the thermal efficiency of internal combustion engines. However, the dilute air-fuel mixture, especially under intensified turbulence and high-pressure conditions, poses significant challenges for ignitability and combustion stability, which may limit the attainable efficiency benefits. In-depth knowledge of the flame kernel evolution to stabilize ignition and combustion in a challenging environment is crucial for effective engine development and optimization. To date, a comprehensive understanding of ignition processes that result in the development of fully predictive ignition models usable by the automotive industry does not yet exist. Spark-ignition consists of a wide range of physics that includes electrical discharge, plasma evolution, joule-heating of gas, and flame kernel initiation and growth into a self-sustainable flame. In this study, an advanced approach is proposed to model spark-ignition energy deposition and flame kernel growth. To decouple the flame kernel growth from the electrical discharge, a nanosecond-pulsed high-voltage discharge is used to trigger spark-ignition in an optically accessible small ignition test vessel with a quiescent mixture of air and methane. Initial conditions for the flame kernel, including its thermodynamic state and species composition, are derived from a plasma-chemical equilibrium calculation. The geometric shape and dimension of the kernel are characterized using a multi-dimensional thermal plasma solver. Here, the proposed modeling approach is evaluated using a high-fidelity computational fluid dynamics procedure to compare the simulated flame kernel evolution against flame boundaries from companion Schlieren images.

42 ENGINEERING↗
NASA NTRS2015

Aspects of Cool-Flame Supported Droplet Combustion in Microgravity

Droplet combustion experiments performed on board the International Space Station have shown that normal-alkane fuels with negative temperature coefficient (NTC) chemistry can support quasi-steady, low-temperature combustion without any visible flame. Here we review the results for n-decane, n-heptane, and n-octane droplets burning in carbon dioxidehelium diluted environments at different pressures and initial droplet sizes. Experimental results for cool-flame burning rates, flame standoff ratios, and extinction diameters are compared against simplified theoretical models of the phenomenon. A simplified quasi-steady model based on the partial-burning regime of Lin predicts the burning rate, and flame standoff ratio reasonably well for all three normal alkanes. The second-stage cool-flame burning and extinction following the first-stage hot-flame combustion, however, shows a small dependence on the initial droplet size, thus deviating from the quasi-steady results. An asymptotic model that estimates the oxygen depletion by the hot flame and its influence on cool-flame burning rates is shown to correct the quasi-steady results and provide a better comparison with the measured burning-rate results.This work was supported by the NASA Space Life and Physical Sciences Research and Applications Program and the International Space Station Program.

cool flames↗
NASA NTRS2018

Buoyancy Effects on Concurrent Flame Spread Over Thick PMMA

The flammability of combustible materials in a spacecraft is important for fire safety applications because the conditions in spacecraft environments differ from those on earth. Experimental testing in space is difficult and expensive. However, reducing buoyancy by decreasing ambient pressure is a possible approach to simulate on-earth the burning behavior inside spacecraft environments. The objective of this work is to determine that possibility by studying the effect of pressure on concurrent flame spread, and by comparison with microgravity data, observe up to what point low-pressure can be used to replicate flame spread characteristics observed in microgravity. Specifically, this work studies the effect of pressure and microgravity on upward/concurrent flame spread over 10 mm thick polymethyl methacrylate (PMMA) slabs. Experiments in normal gravity were conducted over pressures ranging between 100 and 40 kPa and a forced flow velocity of 200 mm/s. Microgravity experiments were conducted during NASA’s Spacecraft Fire Experiment (Saffire II), on board the Cygnus spacecraft at 100 kPa with an air flow velocity of 200 mm/s. Results show that reductions of pressure slow down the flame spread over the PMMA surface approaching that in microgravity. The data is correlated in terms of a non-dimensional mixed convection analysis that describes the convective heat transferred from the flame to the solid, and the primary mechanism controlling the spread of the flame. The extrapolation of the correlation to low pressures predicts well the flame spread rate obtained in microgravity in the Saffire II experiments. Similar results were obtained by the authors with similar experiments with a thin composite cotton/fiberglass fabric (published elsewhere). Both results suggest that reduced pressure can be used to approximately replicate flame behavior of untested gravity conditions for the burning of thick and thin solids. This work could provide guidance for potential ground-based testing for fire safety design in spacecraft and space habitats.

Environmental conditions↗
NASA NTRSDate not supplied

Extinction of the Stagnation Point Diffusion Flame: Effect of Conductive Heat Loss into Solid Interior

The flammability boundary of a solid is U-shaped with the ordinate as ambient oxygen percentage (or total pressure) and the abscissa represents flow velocity, gravity level, stretch rate, etc. The left side of the flammability boundary is the quenching branch, and the right side is the blow-off branch. Quenching is due to a weak flame whose heat release from combustion cannot overcome the excessive heat losses from, for example, radiation. Blow-off is due to a short gas residence time that is smaller than the chemical reaction time (traditionally referred to as the small Damköhler number effect). For thick solids, the heat conduction into the solid interior has a long transient after ignition before the solid temperature reaches the steady state. During this slow transient, there is excessive (i.e. more than that at the steady state) gas phase heat conduction into the solid interior. From the viewpoint of the quasi-static gaseous flame, this is an additional heat loss that will affect the gas flame's flammability. In this work, a previously developed one-dimensional axisymmetric stagnation-point diffusion flame model is extended to account for the excessive heat loss into the solid beyond the steady burning state. A non-dimensional excessive conductive heat loss parameter Ψ is defined in the paper to account for the transient solid effect. For each Ψ, the gas phase is considered reaching a quasi-steady state. Extensive numerical computations have been performed to determine the extinction boundary and the characteristics of near-limit flames. The U-shaped flammability boundary is now a series of boundaries with Ψ as a parameter. Flame structures under the same environment condition but with different Ψ are compared. For a given oxygen ambient, the extinction boundary Ψ vs stretch rate is an inverted U-shape. The boundary consists of a blowoff branch and a radiative quenching branch. Extensive computed data including flame and pyrolysis temperatures, burning rate, flame standoff distance, species concentration, and reaction rate are presented along the extinction boundaries. Heat balance analysis is performed for both the gas phase and the gas-solid interface. Along the extinction boundary, the relative importance of conduction, convection, radiation, and chemical reaction are analyzed in detail.

Stagnation point diffusion flame↗
NASA NTRSDate not supplied

Flame Deflector Ablation Analysis based on Artemis 1 Launch Environment

This paper presents the updated ablative analysis methods used to determine Artemis 1 launch load environment on the flame deflector for the design based on Artemis I Assessments. The flame trench under Pad 39B at Kennedy Space Center contains a flame deflector to safely divert the exhaust plume from the SLS rocket during launch. During launch of Artemis I the refurbished flame trench and the new flame deflector experienced peak temperatures of over 2,000 degrees Fahrenheit (over 1,000 degrees Celsius) for several seconds. These extreme conditions caused ablation (material removal) from the steel plates. This paper contains flame deflector heat flux values for design based on Artemis I assessment. Post flight images of the flame deflector are shown along with “Pre vs Post” Flame Deflector scan image to measure the post flight deviations. Using COMSOL, a method to calculate a heat flux value due to measured deviations in the deflector plates caused by ablation is shown.

Artemis I↗
DOE OSTI2019

Analysis of ignition and stabilization modes in diesel spray flames using large eddy simulations and chemical explosive mode analysis

In this work, spray flames under diesel engine conditions are numerically investigated to understand the ignition and stabilization characteristics, based on state-of-the-art large eddy simulations (LES) and chemical explosive mode analysis (CEMA). In particular, CEMA is employed to identify such critical flame features as auto-ignition, premixed flame fronts, cool and strongly burning flames, and local extinction. In particular, a recently developed CEMA-based criterion for demarcating local combustion modes, that is, auto-ignition, diffusion-assisted ignition, and extinction, is applied to gain in-depth insights into the interactions of local chemical and transport processes. A series of one-dimensional non-premixed flamelets with varying air temperatures and scalar dissipation rates are first analyzed using CEMA with a focus on the role of each local mode in the transient ignition process. CEMA-based diagnostics are then applied to diesel spray flames at different ambient temperatures. The structure of local combustion modes is identified, while the contribution from each local mode to overall flame burning is quantified at different stages of the flame developing process. Effects of the ambient temperature on local combustion mode distribution, and subsequently on the ignition and stabilization mechanisms, are further examined. Results show that auto-ignition is the main mechanism for flame initiation and stabilization, while the role of diffusion is substantially enhanced as ambient temperature decreases.

assisted-ignition↗
DOE OSTI2010

Effects of radiation and compression on propagating spherical flames of methane/air mixtures near the lean flammability limit

Large discrepancies between the laminar flame speeds and Markstein lengths measured in experiments and those predicted by simulations for ultra-lean methane/air mixtures bring a great concern for kinetic mechanism validation. In order to quantitatively explain these discrepancies, a computational study is performed for propagating spherical flames of lean methane/air mixtures in different spherical chambers using different radiation models. The emphasis is focused on the effects of radiation and compression. It is found that the spherical flame propagation speed is greatly reduced by the coupling between thermal effect (change of flame temperature or unburned gas temperature) and flow effect (inward flow of burned gas) induced by radiation and/or compression. As a result, for methane/air mixtures near the lean flammability limit, the radiation and compression cause large amounts of under-prediction of the laminar flame speeds and Markstein lengths extracted from propagating spherical flames. Since radiation and compression both exist in the experiments on ultra-lean methane/air mixtures reported in the literature, the measured laminar flame speeds and Markstein lengths are much lower than results from simulation and thus cannot be used for kinetic mechanism validation. (author)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Spatiotemporal flame propagations, combustion and solid particle emissions from lean and stoichiometric gasoline direct injection engine operation

Increased particle number and mass emissions in gasoline direct injection (GDI) engines should require to investigate in-cylinder flame and combustion characteristics associated with primary source of particle emissions. In this article, in-cylinder spatiotemporal flame luminosity is quantitatively characterized to features combustion process and solid particle emissions from a GDI engine operating in two lean and one stoichiometric modes. Low- and high-steady state operating points were used to compare combustion strategies on flame development and emission characteristics. A fiber-optic sensor composed of eight measurement channels detected the flame front and the direction of the flame propagation in the combustion chamber. Solid particle emissions in the exhaust were measured using an engine exhaust particle sizer and a micro soot sensor. Results of the experiments showed that two lean combustion modes by injection strategies resulted in distinct combustion and flame development. Lean combustion modes generated high diffusion flame by burning stratified rich-mixture. Although the lean cases resulted in strong diffusion flames, the lean-homogeneous produced similar particle size distributions with the stoichiometric mode with high ash particles. Piston pool fires on the piston surface in the lean-stratified mode induced a large accumulation mode with high particle mass concentrations.

42 ENGINEERING↗
DOE OSTI2018

Modeling stratified flames with and without shear using multiple mapping conditioning

A stochastic sparse particle approach is coupled with an artificial thickening flame (ATF) model for large eddy simulations (LES) to predict a series of turbulent premixed-stratified flames with and without shear and stratification. The thickened reaction progress variable serves as reference variable for the multiple mapping conditioning (MMC) mixing model which emulates turbulent mixing of the stochastic particles. The key feature of MMC is to enforce localness in this reference space when particle pairs are mixed and prevents unphysical mixing of burnt and unburnt fluid across the flame front. We apply MMC-ATF to three flames of a series of turbulent stratified flames and validate the method by comparison with experimental data. The new measurements feature increased accuracy in comparison to previously published data of the same flames due to a better signal-to-noise ratio and a setup which is less prone to beam steering. All flame locations are well predicted by the LES-ATF approach and an analysis of the MMC particle statistics demonstrates that MMC preserves the flamelet-like behaviour in regions where the experiments show low scatter around the flamelet solution. Predicted (local) deviations from the flamelet-solution are comparable to deviations observed in the measurements and variations in the flame structure due to differences in stratification and shear are reasonably well captured by the method.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

Rapid Flame-Annealed CuFe 2 O 4 as Efficient Photocathode for Photoelectrochemical Hydrogen Production

Copper ferrite (CuFe 2 O 4 ) possesses an indirect bandgap in the range of 1.54–1.95 eV. It is used as an attractive p-type photocathode in photoelectrochemical (PEC) water splitting, and theoretically it can yield a maximum photocurrent density of ~27 mA/cm 2 and a maximum solar-to-hydrogen conversion efficiency of ~33%. To date, only a few reports have been published on CuFe 2 O 4 photocathodes with very low-photocurrent densities, with a maximum value of 0.4 mA/cm2 at 0.4 V vs RHE. Herein, we prepared a CuFe 2 O 4 photocathode on FTO glass with the sol–gel method followed by either high-temperature flame annealing or furnace annealing. We found that the flame-annealed CuFe 2 O 4 photocathode generated a photocurrent density of 1.82 mA/cm 2 at 0.4 V vs RHE that is approximately 3.5 times higher than the furnace-annealed CuFe 2 O 4 (0.52 mA/cm 2 ). This photocurrent density is also higher than those of all the reported CuFe 2 O 4 photocathodes, and any Cu containing ternary oxide (Cu–M–O, M: Fe, Bi, V, and Nb) photocathode (0.1–1.3 mA/cm 2 at 0.4 V vs RHE). An improved PEC performance of the flame-annealed CuFe 2 O 4 photocathode is elicited owing to the beneficial effects of flame annealing on the physical, optical, and electrical properties of CuFe 2 O 4 . Flame annealing enhances the light absorption property of the CuFe 2 O 4 photocathode by slightly reducing the bandgap, and by forming a thicker film with increased porosity. Flame annealing also reduces the oxygen vacancy concentration in CuFe 2 O 4 , thus facilitating charge transport and interfacial charge transfer processes. Moreover, flame annealing requires only 16 min, which is much shorter than the time required for furnace annealing (~9 h). Furthermore, these results demonstrate that flame annealing is a rapid and effective means for fabricating metal oxide photoelectrodes with an enhanced PEC water splitting performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗