Steady-state shock-driven reactions in mixtures of nano-sized aluminum and dilute hydrogen peroxide

Schmitt, Matthew; Bowden, Patrick R.; Tappan, Bryce C.; Henneke, Dale

doi:10.1080/07370652.2017.1376233

Cited by 6 publications

(6 citation statements)

References 9 publications

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“…Meanwhile, the OH species can promote the catalytic decomposition of H 2 O 2 on ANPs surface to form H 2 O and O 2 , which probably involves the hydrogen transfer step from H 2 O 2 molecules to OH and HOO species (Figure c–k) . In general, the H desorption from ANPs determines the combustion, implying that a large amount of H 2 production is responsible for the high specific impulse of experimental ANPs/H 2 O 2 bipropellants. − In addition, the OH specie dominates the catalytic decomposition of H 2 O 2 on ANPs surface, which is consistent with the computational studies of H 2 O 2 decomposition over Pd catalysts. , Therefore, our ReaxFF-MD simulation results of ANPs/H 2 O 2 system exhibit potential applications in several fields, including metal combustion, catalytic decomposition, and hydrogen production.…”

Section: Results and Discussionsupporting

confidence: 84%

“…The combination of Al particles in H 2 O 2 can serve as promising hybrid propellants owing to the high heat release (25.8 kJ/g) and green oxidation products (Al 2 O 3 , H 2 O, O 2 , and H 2 ). 28,29 The theoretical specific impulse of Al/H 2 O 2 bipropellant can reach 258 s, which is comparable to many conventional ammonium perchlorate composites. 28 Notably, it was found that Al particle size (from 38 nm to 35 μm), H 2 O 2 concentration, and temperature play a significant role in the combustion behaviors of this bipropellant.…”

Section: ■ Introductionmentioning

confidence: 78%

“…With respect to fuels, Al is the most popular due to its favorable properties, such as high energy density (30.5 kJ/g), wide availability, low cost, and environmentally benign products. , In particular, Al nanoparticles (ANPs) have attracted increasing attention because of their high chemical activity in various oxidizers, such as O 2 , CO, CO 2 , and H 2 O, and thereby a high benefit to enhance propulsive performance. − In comparison, little work has been devoted to that with H 2 O 2 . The combination of Al particles in H 2 O 2 can serve as promising hybrid propellants owing to the high heat release (25.8 kJ/g) and green oxidation products (Al 2 O 3 , H 2 O, O 2 , and H 2 ). , The theoretical specific impulse of Al/H 2 O 2 bipropellant can reach 258 s, which is comparable to many conventional ammonium perchlorate composites . Notably, it was found that Al particle size (from 38 nm to 35 μm), H 2 O 2 concentration, and temperature play a significant role in the combustion behaviors of this bipropellant .…”

Section: Introductionmentioning

confidence: 94%

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Atomic Perspective about the Reaction Mechanism and H₂ Production during the Combustion of Al Nanoparticles/H₂O₂ Bipropellants

Niu

Xue

et al. 2020

J. Phys. Chem. A

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The combination of Al nanoparticles (ANPs) and hydrogen peroxide (H 2 O 2 ) can serve as environmentally friendly bipropellants and maximize the energetic benefits through harnessing heat release and chemical energy stored in H 2 . This work presents an atomic insight into the combustion mechanism of ANPs/H 2 O 2 . Two main paths, including the ANPs oxidation by H 2 O 2 to produce H 2 and Al oxides, and the catalytic decomposition of H 2 O 2 on ANP surface to generate O 2 and H 2 O, are confirmed to maintain the combustion. OH and HOO radicals as well as H 2 O, O 2 , H 2 , and Al oxides are detected as dominant intermediates and products therein. It is evidenced that higher temperature, smaller ANP size, and higher H 2 O 2 concentration enhance the combustion. Moreover, atomic details show that the H desorption from ANPs/Al clusters is a critical step for both H 2 production and ANP oxidation. In addition, microexplosion that has been confirmed in hot and dense O 2 is not observed in H 2 O 2 , even with a high concentration, possibly due to a slower heat release. Besides, the observed excellent specific impulse of the ANP/H 2 O 2 bipropellants could be attributed to the considerable H 2 production, instead of heat release. This work is expected to present an overall atomic perspective about the combustion mechanism of ANP/H 2 O 2 bipropellants.

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Section: Results and Discussionsupporting

confidence: 84%

Section: ■ Introductionmentioning

confidence: 78%

Section: Introductionmentioning

confidence: 94%

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Atomic Perspective about the Reaction Mechanism and H₂ Production during the Combustion of Al Nanoparticles/H₂O₂ Bipropellants

Niu

Xue

et al. 2020

J. Phys. Chem. A

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“…Meanwhile, their specific impulse is generally higher than that of solid rockets, and the density-specific impulse is higher than that of liquid rockets. Moreover, ANPs can obtain a high exotherm (25.8 kJ/g) as well as yield only clean oxidation products (H 2 O, H 2 , O 2 , and Al 2 O 3 ) in the reaction with H 2 O 2 , which is why Al/H 2 O 2 is a promising bipropellant for development [28][29][30]. Zaseck et al showed that the size of the aluminum particles was the most dominant factor driving the combustion rate of the bipropellant, with the combustion rate exponent increasing from ∼0.5 to ∼1.0 as the diameter of the Al particles decreased from 12 µm to 3 µm.…”

Section: Introductionmentioning

confidence: 99%

Atomistic Insights into the Influence of High Concentration H2O2/H2O on Al Nanoparticles Combustion: ReaxFF Molecules Dynamics Simulation

Yu,

Zhang,

Zhang

et al. 2024

Molecules

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The combination of Al nanoparticles (ANPs) as fuel and H2O2 as oxidizer is a potential green space propellant. In this research, reactive force field molecular dynamics (ReaxFF-MD) simulations were used to study the influence of water addition on the combustion of Al/H2O2. The MD results showed that as the percentage of H2O increased from 0 to 30%, the number of Al-O bonds on the ANPs decreased, the number of Al-H bonds increased, and the adiabatic flame temperature of the system decreased from 4612 K to 4380 K. Since the Al-O bond is more stable, as the simulation proceeds, the number of Al-O bonds will be significantly higher than that of Al-H and Al-OH bonds, and the Al oxides (Al[O]x) will be transformed from low to high coordination. Subsequently, the combustion mechanism of the Al/H2O2/H2O system was elaborated from an atomic perspective. Both H2O2 and H2O were adsorbed and chemically activated on the surface of ANPs, resulting in molecular decomposition into free radicals, which were then captured by ANPs. H2 molecules could be released from the ANPs, while O2 could not be released through this pathway. Finally, it was found that the coverage of the oxide layer reduced the rate of H2O2 consumption and H2 production significantly, simultaneously preventing the deformation of the Al clusters’ morphology.

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“…In mixtures of NM and packed beds of aluminum particles, Kato et al [29] observed a detonation pressure increase due to Al reaction about 2.5 μs behind the leading shock for 8-μm Al particles. Additional evidence that aluminum can react promptly is given by recent experimental results that a mixture consisting of fine aluminum particles mixed with water (with 10% added hydrogen peroxide) can support the propagation of a detonation wave [30,31]. This implies that aluminum powder must be capable of reacting with water on a microsecond timescale to ensure that the propagation of the detonation front is self-sustained.…”

Section: Introductionmentioning

confidence: 99%

Blast enhancement from metalized explosives

et al. 2021

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Experiments are carried out to determine the effects of particle size and mass loading on the free-field blast wave from spherical, constant volume metalized explosive charges. The charges are comprised of gelled nitromethane with uniformly embedded aluminum, magnesium, or glass particles. Particle sizes are varied over an order of magnitude with particle mass fractions up to 50%. Peak blast overpressures are directly measured within the fireball with piezoelectric pressure gauges and outside the fireball are inferred by tracking the velocity of the blast wave and using the Rankine–Hugoniot relation. With the addition of inert particles, the peak blast overpressure is initially mitigated, but then recovers in the far field. For charges with reactive particles, the particles react promptly with oxidizers in the detonation products and release energy as early as within the first few hundred microseconds in all cases. The particle energy release enhances the peak blast overpressures in the far field by up to twice the values for a constant volume charge of the baseline homogenous explosive. By plotting the peak blast overpressure decay as a function of energy-scaled distance, it is inferred that at least half of the particle energy release contributes to the blast overpressure in the far field of higher mass loadings, and nearly all of the particle energy for a particle mass fraction of 10%. For aluminum, the blast augmentation is not a systematic function of particle size. This observation implies that conventional models for particle combustion that depend on particle surface area are not appropriate for describing the rapid aluminum reaction that occurs in the extreme conditions within the detonation products, which influences the blast wave propagation.

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Steady-state shock-driven reactions in mixtures of nano-sized aluminum and dilute hydrogen peroxide

Cited by 6 publications

References 9 publications

Atomic Perspective about the Reaction Mechanism and H₂ Production during the Combustion of Al Nanoparticles/H₂O₂ Bipropellants

Atomic Perspective about the Reaction Mechanism and H₂ Production during the Combustion of Al Nanoparticles/H₂O₂ Bipropellants

Atomistic Insights into the Influence of High Concentration H2O2/H2O on Al Nanoparticles Combustion: ReaxFF Molecules Dynamics Simulation

Blast enhancement from metalized explosives

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Steady-state shock-driven reactions in mixtures of nano-sized aluminum and dilute hydrogen peroxide

Cited by 6 publications

References 9 publications

Atomic Perspective about the Reaction Mechanism and H2 Production during the Combustion of Al Nanoparticles/H2O2 Bipropellants

Atomic Perspective about the Reaction Mechanism and H2 Production during the Combustion of Al Nanoparticles/H2O2 Bipropellants

Atomistic Insights into the Influence of High Concentration H2O2/H2O on Al Nanoparticles Combustion: ReaxFF Molecules Dynamics Simulation

Blast enhancement from metalized explosives

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Product

Resources

About

Atomic Perspective about the Reaction Mechanism and H₂ Production during the Combustion of Al Nanoparticles/H₂O₂ Bipropellants

Atomic Perspective about the Reaction Mechanism and H₂ Production during the Combustion of Al Nanoparticles/H₂O₂ Bipropellants