Stress-Alteration Enhancement of the Reactivity of Aluminum Nanoparticles in the Catalytic Decomposition of exo-Tetrahydrodicyclopentadiene (JP-10)

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

doi:10.1021/acs.jpca.4c02023

Title: Stress-Alteration Enhancement of the Reactivity of Aluminum Nanoparticles in the Catalytic Decomposition of exo-Tetrahydrodicyclopentadiene (JP-10)

Journal Article · 25 April 2024 · Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory

DOI: https://doi.org/10.1021/acs.jpca.4c02023 · OSTI ID:2375530

Biswas, Souvick ^[1]; Paul, Dababrata ^[2]; Dias, Nureshan ^[3]; Kunzler, Kallista ^[4];

^[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) upon thermal annealing followed by super-quenching results in elevated stress levels in the metallic core and reduced surface energy at the core-shell interface. Isomer-selective vacuum ultraviolet based photoionization mass spectrometry coupled to a high temperature chemical microreactor reveals that these stress-altered (SA) AlNPs exhibit distinctive temperature-dependent reactivities towards catalytic decomposition of the hydrocarbon jet fuel exo-tetrahydrodicyclopentadiene (JP-10, C₁₀H₁₆) compared to untreated (UN) AlNPs. SA-AlNPs show a delayed initiation of the decomposition for JP-10 by 200 K relative to the UN-AlNPs, however, the full decomposition is achieved at 100 K lower temperature. Furthermore, there is less oxygenated products that are generated from the alumina surface-induced heterogeneous oxidation process, and a larger fraction of closed and open-shell hydrocarbons. Furthermore, chemical insight bridging the reactivity order of SA-AlNPs at low and high temperatures, simultaneously, is obtained via a detailed examination of the product branching ratios obtained in this study.

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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:: 2375530

Journal Information:: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory, Journal Name: Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory Journal Issue: 18 Vol. 128; ISSN 1089-5639

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Aluminum
Hydrocarbons
Molecules
Organic reactions
Oxides

Title: Stress-Alteration Enhancement of the Reactivity of Aluminum Nanoparticles in the Catalytic Decomposition of exo-Tetrahydrodicyclopentadiene (JP-10)

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