New methods for trace analysis of gamma-irradiated pentaerythritol tetranitrate

Journal Article · Tue Jul 11 00:00:00 EDT 2023 · Radiation Physics and Chemistry

DOI:https://doi.org/10.1016/j.radphyschem.2023.111143· OSTI ID:1990146

Baumgarten, Brooke Robyn ^[1]; Huestis, Patricia Leigh ^[1]; Cleveland, Alexander Houston ^[1]; Manner, Virginia Warren ^[1]; Freye, Christopher Edward ^[1]

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1. Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

High explosives (HEs) are used in a diverse range of applications in which they could be exposed to various radiation levels that may cause potential chemical changes. This study further evaluated pentaerythritol tetranitrate (PETN) that was previously aged with a low-level 2 kGy dose of gamma irradiation in order to understand chemical changes caused by irradiation. Both unirradiated PETN and gamma-irradiated PETN were analyzed using ultra high-pressure liquid chromatography coupled to quadrupole time of flight mass spectrometry (UHPLC-QTOF). The resulting data were processed in a non-targeted manner using Fisher's ratio analysis and multivariate curve resolution-alternating least squares (MCR-ALS) to aid in discovery and identification of the chemical changes brought about by irradiation without a priori knowledge. The application of using UHPLC-QTOF in combination with chemometric techniques for the analysis of irradiated samples has not previously been performed. Here, in this work, we show how to use this method to provide chemical information that would otherwise not be discernible, such as the discovery of degradation of the various homologues of PETN. Major differences identified with radiolytic aging of the PETN sample included decomposition products that resulted from the degradation of the trigger linkage – the O–NO₂ bonds – resulting in the formation of alcohol and aldehyde groups. Similar degradation was also observed in the PETN homologues as well as interconversion from one homologue to another.

• Research Organization: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
• Sponsoring Organization: USDOE National Nuclear Security Administration (NNSA)
• Grant/Contract Number: 89233218CNA000001
• OSTI ID: 1990146
• Alternate ID(s): OSTI ID: 1989761
• Report Number(s): LA-UR-23-24309
• Journal Information: Radiation Physics and Chemistry, Journal Name: Radiation Physics and Chemistry Vol. 212; ISSN 0969-806X
• Publisher: Elsevier
• Country of Publication: United States
• Language: English

Related Subjects

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY
Decomposition
Explosives
Fisher's ratio
Irradiation
MCR-ALS
PETN
UHPLC-QTOF