Abstract
The detonation of high explosives produces a wide variety of particulate matter (PM) with distinct properties, not all of which are traditionally studied for chemical composition, formation processes, and forensic applications. We report particle-resolved measurements of Composition B detonation soot using soot particle aerosol mass spectrometry (SP-AMS), identifying carbonaceous species and metals not previously characterized on a single-particle basis. Results are combined with scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS) to enhance source-dependent signatures. Black carbon, including graphitic carbon and detonation nanodiamonds, contributed 50.5-71.4% of PM2.5 mass, while 22.5-43.4% was non-refractory organic carbon, a previously overlooked component that exhibited a complex and varying composition. Detonations were performed with and without PMMA confinement and under steady and overdriven conditions. Distinct particles enriched with polycyclic aromatic hydrocarbons (PAHs) were observed in experiments utilizing confinement, with quantities dependent on manufacturing method. SEM-EDS validated SP-AMS findings of metals internally mixed with carbonaceous species and extended the particle size range to 100 µm. This work makes detecting non-refractory organics using single-particle techniques more feasible for detonation forensics and understanding high-energy soot formation. While this analysis uses offline sample collection, SP-AMS could be deployed for in-situ measurements of detonation PM2.5 transported in the atmosphere.
Similar content being viewed by others
Data availability
The data that support the findings of this study are available from the corresponding author upon reasonable request. The SQUIRREL and PIKA toolkits are available at https://cires1.colorado.edu/jimenez-group/ToFAMSResources/ToFSoftware/index.html71.
References
Aiken, A. C. et al. High temperature and pressure regime soot: Physical, optical and chemical signatures from high explosive detonations. Aerosol Sci. Technol. 56, 931–946 (2022).
Huber, R. C. et al. Extreme condition nanocarbon formation under air and argon atmospheres during detonation of composition B-3. Carbon 126, 289–298 (2018).
Bagge-Hansen, M. et al. Detonation synthesis of carbon nano-onions via liquid carbon condensation. Nat. Commun. 10, 3819 (2019).
Bagge-Hansen, M. et al. Measurement of carbon condensates using small-angle x-ray scattering during detonation of the high explosive hexanitrostilbene. J. Appl. Phys. 117, https://doi.org/10.1063/1.4922866 (2015).
Greiner, N. R., Phillips, D. S., Johnson, J. D. & Volkt, F. Diamonds in detonation soot. Nature 333, 440–442 (1988).
Satonkina, N. P., Ershov, A. P., Kashkarov, A. O. & Rubtsov, I. A. Elongated conductive structures in detonation soot of high explosives. RSC Adv. 10, 17620–17626 (2020).
Hammons, J. A. et al. Submicrosecond Aggregation during Detonation Synthesis of Nanodiamond. J. Phys. Chem. Lett. 12, 5286–5293 (2021).
Watkins, E. B. et al. Evolution of Carbon Clusters in the Detonation Products of the Triaminotrinitrobenzene (TATB)-Based Explosive PBX 9502. J. Phys. Chem. C. 121, 23129–23140 (2017).
Christenson, J. G. et al. The role of detonation condensates on the performance of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) detonation. J. Appl. Phys. 132, https://doi.org/10.1063/5.0091799 (2022).
Podlesak, D. W. et al. in AIP Conference Proceedings (2017).
Bond, T. C. et al. Bounding the role of black carbon in the climate system: A scientific assessment. J. Geophys. Res.: Atmos. 118, 5380–5552 (2013).
Andreae, M. O. Emission of trace gases and aerosols from biomass burning – an updated assessment. Atmos. Chem. Phys. 19, 8523–8546 (2019).
Simoneit, B. R. T. Biomass burning — a review of organic tracers for smoke from incomplete combustion. Appl. Geochem. 17, https://doi.org/10.1016/S0883-2927(01)00061-0 (2002).
Schauer, J. J., Kleeman, M. J., Cass, G. R. & Simoneit, B. R. T. Measurement of emissions from air pollution sources. 5. C1−C32 organic compounds from gasoline-powered motor vehicles. Environ. Sci. Technol. 36, 1169–1180 (2002).
Johansson, K. O., Head-Gordon, M. P., Schrader, P. E., Wilson, K. R. & Michelsen, H. A. Resonance-stabilized hydrocarbon-radical chain reactions may explain soot inception and growth. Science 361, 997–1000 (2018). 10.1126/science.aat3417.
Michelsen, H. A. Probing soot formation, chemical and physical evolution, and oxidation: A review of in situ diagnostic techniques and needs. Proc. Combust. Inst. 36, 717–735 (2017).
Inal, F. & Senkan, S. M. Effects of oxygenate additives on polycyclic aromatic hydrocarbons (PAHs) and soot formation. Combust. Sci. Technol. 174, 1–19 (2002).
Frenklach, M. & Mebel, A. On the mechanism of soot nucleation. Phys. Chem. Chem. Phys. https://doi.org/10.1039/D0CP00116C (2020).
Apicella, B., Russo, C., Carpentieri, A., Tregrossi, A. & Ciajolo, A. PAHs and fullerenes as structural and compositional motifs tracing and distinguishing organic carbon from soot. Fuel 309, https://doi.org/10.1016/j.fuel.2021.122356 (2022).
Ree, F. H. Supercritical fluid phase separations: Implications for detonation properties of condensed explosives. J. Chem. Phys. 84, 5845–5856 (1986).
Bastea, S. & Fried, L. E. In 14th International Detonation Symposium.
Hammons, J. A. et al. Resolving Detonation Nanodiamond Size Evolution and Morphology at Sub-Microsecond Timescales during High-Explosive Detonations. J. Phys. Chem. C. 123, 19153–19164 (2019).
Dubois, V. & Pineau, N. New developments of the CARTE thermochemical code: A two-phase equation of state for nanocarbons. J. Appl. Phys. 119, https://doi.org/10.1063/1.4938528 (2016).
Pantea, D., Brochu, S., Thiboutot, S., Ampleman, G. & Scholz, G. A morphological investigation of soot produced by the detonation of munitions. Chemosphere 65, 821–831 (2006).
Chen, P., Huang, F. & Yun, S. Characterization of the condensed carbon in detonation soot. Carbon 41, 2093–2099 (2003).
Tao, X., Kang, X. & Jiazheng, Z. TEM and HREM studies on ultradispersed diamonds containing soot formed by explosive detonation. Mater. Sci. Eng.: B 38, https://doi.org/10.1016/0921-5107(95)01526-4 (1996).
Krüger, A. et al. Unusually tight aggregation in detonation nanodiamond: Identification and disintegration. Carbon 43, 1722–1730 (2005).
Mykhaylyk, O., Solonin, Y., Batchelder, D. & Brydson, R. Transformation of nanodiamond into carbon onions: A comparative study by high-resolution transmission electron microscopy, electron energy-loss spectroscopy, x-ray diffraction, small-angle x-ray scattering, and ultraviolet Raman spectroscopy. J. Appl. Phys. 97 https://doi.org/10.1063/1.1868054 (2005).
Viecelli, J. A. & Ree, F. H. Carbon particle phase transformation kinetics in detonation waves. J. Appl. Phys. 88, 683–690 (2000).
Greiner, N. R., Rogers, Y. C. & Spall, W. D. Chemistry of detonation soot II: More diamonds and volatiles. (Los Alamos National Lab., NM (USA), 1990).
Kitamura, T., Ito, T. & Fujimoto, H. Mechanism of smokeless diesel combustion with oxygenated fuels based on the dependence of the equivalence ratio and temperature on soot particle formation. Int. J. Engine Res. 3, https://doi.org/10.1243/146808702762230923 (2002).
Tramošljika, B., Blecich, P., Bonefačić, I. & Glažar, V. Advanced Ultra-Supercritical Coal-Fired Power Plant with Post-Combustion Carbon Capture: Analysis of Electricity Penalty and CO2 Emission Reduction. Sustainability 13, https://doi.org/10.3390/su13020801 (2021).
Onasch, T. B. et al. Investigations of SP-AMS carbon ion distributions as a function of refractory black carbon particle type. Aerosol Sci. Technol. 49, 409–422 (2015).
Wang, J. et al. Observation of Fullerene Soot in Eastern China. Environ. Sci. Technol. Lett. 3, 121–126 (2016).
Tiwari, A. J., Ashraf-Khorassani, M. & Marr, L. C. C60 fullerenes from combustion of common fuels. Sci. Total Environ. 547, 254–260 (2016).
Utsunomiya, S., Jensen, K., Keeler, G. & Ewing, R. Uraninite and Fullerene inAtmospheric Particulates. Environ. Sci. Technol. 36, https://doi.org/10.1021/es025872a (2002).
Sanchis, J. et al. Occurrence of aerosol-bound fullerenes in the Mediterranean Sea atmosphere. Environ. Sci. Technol. 46, 1335–1343 (2012).
Jahn, L. G. et al. Metallic and crustal elements in biomass-burning aerosol and ash: prevalence, significance, and similarity to soil particles. ACS Earth Space Chem. 5, 136–148 (2020).
Nilsson, P. T. et al. In-situ characterization of metal nanoparticles and their organic coatings using laser-vaporization aerosol mass spectrometry. Nano Res. 8, 3780–3795 (2015).
Michelsen, H. A. et al. A review of terminology used to describe soot formation and evolution under combustion and pyrolytic conditions. ACS Nano 14, 12470–12490 (2020).
Fortner, E. et al. Examining the chemical composition of black carbon particles from biomass burning with SP-AMS. J. Aerosol Sci. 120, 12–21 (2018).
Kuznetsov, V. L., Chuvilin, A. L., Butenko, Y. V., Mal’kov, I. Y. & Titov, V. M. Onion-like carbon from ultra-disperse diamond. Chem. Phys. Lett. 222, 343–348 (1994).
Canagaratna, M. R. et al. Chase studies of particulate emissions from in-use New York City Vehicles. Aerosol Sci. Technol. 38, 555–573 (2004).
Tobias, H. et al. Chemical analysis of diesel engine nanoparticles using a Nano-DMA/Thermal Desorption Particle BeamMass Spectrometer. Environ. Sci. Technol. 35, 2233–2243 (2001).
Dzepina, K. et al. Detection of particle-phase polycyclic aromatic hydrocarbons in Mexico City using an aerosol mass spectrometer. Int. J. Mass Spectrom. 263, 152–170 (2007).
Aiken, A. C., DeCarlo, P. F. & Jimenez, J. L. Elemental Analysis of Organic Species with Electron Ionization High-Resolution Mass Spectrometry. Anal. Chem. 79, 8350–8358 (2007).
Kim, K. H., Jahan, S. A., Kabir, E. & Brown, R. J. A review of airborne polycyclic aromatic hydrocarbons (PAHs) and their human health effects. Environ. Int 60, 71–80 (2013).
Eriksson, A. C. et al. Particulate PAH emissions from residential biomass combustion: time-resolved analysis with aerosol mass spectrometry. Environ. Sci. Technol. 48, 7143–7150 (2014).
Canagaratna, M. R. et al. Chemical and microphysical characterization of ambient aerosols with the aerodyne aerosol mass spectrometer. Mass Spectrom. Rev. 26, 185–222 (2007).
Allan, J. D. et al. A generalised method for the extraction of chemically resolved mass spectra from Aerodyne aerosol mass spectrometer data. J. Aerosol Sci. 35, 909–922 (2004).
Falk, J. et al. Immersion Freezing Ability of Freshly Emitted Soot with Various Physico-Chemical Characteristics. Atmosphere 12, https://doi.org/10.3390/atmos12091173 (2021).
Ma, M. et al. Effects of polyoxymethylene dimethyl ether (PODEn) blended fuel on diesel engine emission: Insight from soot-particle aerosol mass spectrometry and aethalometer measurements. Atmos. Environ.: X 18, https://doi.org/10.1016/j.aeaoa.2023.100216 (2023).
Carbone, S. et al. Distinguishing fuel and lubricating oil combustion products in diesel engine exhaust particles. Aerosol Sci. Technol. 53, 594–607 (2019).
Farley, R. N. et al. Chemical properties and single-particle mixing state of soot aerosol in Houston during the TRACER campaign. Atmos. Chem. Phys. 24, 3953–3971 (2024).
Hu, W. et al. Chemical composition, sources, and aging process of submicron aerosols in Beijing: Contrast between summer and winter. J. Geophys. Res.: Atmos. 121, 1955–1977 (2016).
Hayes, P. L. et al. Organic aerosol composition and sources in Pasadena, California, during the 2010 CalNex campaign. J. Geophys. Res.: Atmos. 118, 9233–9257 (2013).
Struckmeier, C., Drewnick, F., Fachinger, F., Gobbi, G. P. & Borrmann, S. Atmospheric aerosols in Rome, Italy: sources, dynamics and spatial variations during two seasons. Atmos. Chem. Phys. 16, 15277–15299 (2016).
Wang, H. Formation of nascent soot and other condensed-phase materials in flames. Proc. Combust. Inst. 33, 41–67 (2011).
Apicella, B. et al. HRTEM and EELS investigations of flame-formed soot nanostructure. Fuel 225, 218–224 (2018).
Zhang, Q. et al. Deconvolution and Quantification of Hydrocarbon-like and Oxygenated Organic Aerosols Based on Aerosol Mass Spectrometry. Environ. Sci. Technol. 39, 4938–4952 (2005).
Lee, A. K. Y. et al. Influences of primary emission and secondary coating formation on the particle diversity and mixing state of black carbon particles. Environ. Sci. Technol. 53, 9429–9438 (2019).
Naseri, A., Corbin, J. C. & Olfert, J. S. Comparison of the LEO and CPMA-SP2 techniques for black-carbon mixing-state measurements. Atmos. Meas. Tech. 17, 3719–3738 (2024).
Cappa, C. D. et al. Light absorption by ambient black and brown carbon and its dependence on black carbon coating State for Two California, USA, cities in winter and summer. J. Geophys. Res.: Atmos. 124, 1550–1577 (2019).
China, S., Mazzoleni, C., Gorkowski, K., Aiken, A. C. & Dubey, M. K. Morphology and mixing state of individual freshly emitted wildfire carbonaceous particles. Nat. Commun. 4, 2122 (2013).
Wang, Y. et al. Fractal dimensions and mixing structures of soot particles during atmospheric processing. Environ. Sci. Technol. Lett. 4, 487–493 (2017).
Carbone, S. et al. Characterization of trace metals on soot aerosol particles with the SP-AMS: detection and quantification. Atmos. Meas. Tech. 8, 4803–4815 (2015).
Corbin, J. C. et al. Trace metals in soot and PM(2.5) from heavy-fuel-oil combustion in a marine engine. Environ. Sci. Technol. 52, 6714–6722 (2018).
Dallmann, T. R. et al. Characterization of particulate matter emissions from on-road gasoline and diesel vehicles using a soot particle aerosol mass spectrometer. Atmos. Chem. Phys. 14, 7585–7599 (2014).
Bibi, Z. et al. Technical note: A new approach to discriminate different black carbon sources by utilising fullerene and metals in positive matrix factorisation analysis of high-resolution soot particle aerosol mass spectrometer data. Atmos. Chem. Phys. 21, 10763–10777 (2021).
Avery, A. M., Williams, L. R., Fortner, E. C., Robinson, W. A. & Onasch, T. B. Particle detection using the dual-vaporizer configuration of the soot particle Aerosol Mass Spectrometer (SP-AMS). Aerosol Sci. Technol. 55, 254–267 (2020).
Sueper, D. TOF-AMS software downloads, https://cires1.colorado.edu/jimenez-group/ToFAMSResources/ToFSoftware/index.html#Analysis3 (2025).
Jimenez, J. L. et al. Ambient aerosol sampling using the Aerodyne Aerosol Mass Spectrometer. J. Geophys. Res.: Atmos. 108, https://doi.org/10.1029/2001jd001213 (2003).
Drewnick, F., Hings, S. S., Curtius, J., Eerdekens, G. & Williams, J. Measurement of fine particulate and gas-phase species during the New Year’s fireworks 2005 in Mainz, Germany. Atmos. Environ. 40, 4316–4327 (2006).
Willis, M. D. et al. Collection efficiency of the soot-particle aerosol mass spectrometer (SP-AMS) for internally mixed particulate black carbon. Atmos. Meas. Tech. 7, 4507–4516 (2014).
DeCarlo, P. F. et al. Field-Deployable, High-Resolution, Time-of-Flight Aerosol Mass Spectrometer. Anal. Chem. 78, 8281–8289 (2006).
Lee, A. K. Y., Willis, M. D., Healy, R. M., Onasch, T. B. & Abbatt, J. P. D. Mixing state of carbonaceous aerosol in an urban environment: single particle characterization using the soot particle aerosol mass spectrometer (SP-AMS). Atmos. Chem. Phys. 15, 1823–1841 (2015).
Lee, A. K. Y. et al. Single-particle characterization of biomass burning organic aerosol (BBOA): evidence for non-uniform mixing of high molecular weight organics and potassium. Atmos. Chem. Phys. 16, 5561–5572 (2016).
Davies, D. L. & Bouldin, D. W. A Cluster Separation Measure. IEEE Trans. Pattern Anal. Mach. Intell. https://doi.org/10.1109/TPAMI.1979.4766909 (1979).
Acknowledgements
The authors thank Kirill Velizhanin and Bryce Tappan for discussions and advice on detonation soot production and analysis. We thank David Podlesak, Ron Armato, Pat Bowden, John Gibson, Ritchie Chicas, Eric Anderson, and the LANL M-Division detonation team for shot assembly and detonation support. We thank Donna Sueper for SP-AMS data processing software support. Research presented in this article was supported by the Laboratory Directed Research and Development program of Los Alamos National Laboratory under project number (LANL No. 20230257ER, PI Aiken). Los Alamos National Laboratory is operated by Triad National Security, LLC for the National Nuclear Security Administration of the U.S. Department of Energy under contract No. 89233218CNA000001.
Author information
Authors and Affiliations
Contributions
A.C.A., R.C.H., and M.A.S. conceived and directed the project. A.C.A., R.C.H., M.A.S., and J.E.L. designed the detonation experiments and sampling procedures. J.E.L., R.C.H., and A.C.A. collected samples. R.N.F. designed the aerosol data analysis procedure, performed SP-AMS measurements, and performed data analysis. K.N.W. performed SEM-EDS measurements and data processing. R.N.F. prepared the manuscript with input from all co-authors. All authors reviewed and approved the final version of the manuscript.
Corresponding authors
Ethics declarations
Competing interests
The authors declare no competing interests.
Peer review
Peer review information
Communications Chemistry thanks Joel Corbin and the other anonymous reviewer(s) for their contribution to the peer review of this work. A peer review file is available.
Additional information
Publisher’s note Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
Supplementary information
Rights and permissions
Open Access This article is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License, which permits any non-commercial use, sharing, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if you modified the licensed material. You do not have permission under this licence to share adapted material derived from this article or parts of it. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by-nc-nd/4.0/.
About this article
Cite this article
Farley, R.N., Lee, J.E., Huber, R.C. et al. Single-particle chemical analysis reveals organic-rich detonation soot products. Commun Chem (2026). https://doi.org/10.1038/s42004-025-01879-3
Received:
Accepted:
Published:
DOI: https://doi.org/10.1038/s42004-025-01879-3


