Counterintuitive Catalytic Reactivity of the Aluminum Oxide “Passivation” Shell of Aluminum Nanoparticles Facilitating the Thermal Decomposition of exo-Tetrahydrodicyclopentadiene (JP-10)

Biswas, Souvick; Paul, Dababrata; He, Chao; Dias, Nureshan; Ahmed, Musahid; Pantoya, Michelle L.; Kaiser, Ralf I.

doi:10.1021/acs.jpclett.3c02532

Counterintuitive Catalytic Reactivity of the Aluminum Oxide “Passivation” Shell of Aluminum Nanoparticles Facilitating the Thermal Decomposition of exo-Tetrahydrodicyclopentadiene (JP-10)

Journal Article · Wed Oct 11 00:00:00 EDT 2023 · Journal of Physical Chemistry Letters

DOI:https://doi.org/10.1021/acs.jpclett.3c02532· OSTI ID:2278905

Biswas, Souvick ^[1]; Paul, Dababrata ^[2]; He, Chao ^[2]; Dias, Nureshan ^[3]; ^[3]; ^[4]; ^[2]

University of Hawai’i at Manoa, Honolulu, HI (United States); University of Hawaii
University of Hawai’i at Manoa, Honolulu, HI (United States)
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Texas Tech University, Lubbock, TX (United States)

High energy density aluminum nanoparticles (AlNP) have been at the center of attention as additives to hydrocarbon jet fuels like exo-tetrahydrodicyclopentadiene (JP-10, C₁₀H₁₆) aiming at a superior performance of volume-limited air-breathing propulsion systems. However, a fundamental understanding of the ignition and combustion chemistry of JP-10 in presence of AlNPs has been elusive. Exploiting an isomer-selective comprehensive identification of the decomposition products in a newly designed high temperature chemical microreactor coupled to vacuum ultraviolet photoionization, we reveal an active low temperature heterogeneous surface chemistry commencing at 650 K involving the alumina (Al₂O₃) shell. Contrary to textbook knowledge of an “inactive alumina surface”, this unconventional reactivity, where oxygen is transferred from alumina to JP-10, leads to generating cyclic, oxygenated organics like phenol (C₆H₅OH) and 2,4-cyclopentadiene-1-one (C₅H₄O) - key tracers of an alumina-mediated interfacial chemistry. Furthermore, this counterintuitive reactivity transforms our knowledge on the (catalytic) processes of alumina-coated AlNPs on the molecular level.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); United States Office of Naval Research (ONR)

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 2278905

Journal Information:: Journal of Physical Chemistry Letters, Journal Name: Journal of Physical Chemistry Letters Journal Issue: 41 Vol. 14; ISSN 1948-7185

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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Counterintuitive Catalytic Reactivity of the Aluminum Oxide “Passivation” Shell of Aluminum Nanoparticles Facilitating the Thermal Decomposition of exo-Tetrahydrodicyclopentadiene (JP-10)

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