An Introduction to Energetic Materials for Propulsion

DeLuca, Luigi T.; Shimada, Toru; Sinditskii, Valery P.; Calabro, Max; Manzara, Anthony P.

doi:10.1007/978-3-319-27748-6_1

Cited by 21 publications

(20 citation statements)

References 54 publications

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“…Transient IR (pump–probe) spectra and time-resolved 2D IR spectra of HHTT solvated in DMSO and in microcrystal form were collected with a pulse-shaper based 2D IR spectrometer using a germanium acousto-optic modulator (AOM) . Experimental details have been previously described. ,, A commercial femtosecond (fs) regenerative Ti:sapphire laser amplifier was used to generate laser pulses with 25 fs pulse width, 3 mJ pulse energy, and 800 nm output wavelength. Then, the 800 nm laser pulse went through an optical parametric amplifier, and a difference frequency generator, and finally produced a ∼10 μJ mid-IR pulse at 6.3 μm central wavelength.…”

Section: Methodsmentioning

confidence: 99%

Ultrafast Intermolecular Vibrational Energy Transfer in Hexahydro-1,3,5-trinitro-1,3,5-triazine in Molecular Crystal by 2D IR Spectroscopy

Shi

Zhao

et al. 2020

J. Phys. Chem. C

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Cyclic nitramine hexahydro-1,3,5-trinitro-s-triazine (HHTT) is an important energetic molecule with a variety of applications. In this work, structural dynamics and vibrational-energy transfer dynamics of HHTT were investigated using steady-state infrared (IR), femtosecond time-resolved IR, and two-dimensional (2D) IR spectroscopic methods. Two different structural forms of HHTT (isolated molecules dissolved in DMSO and microcrystal dispersed in paraffin oil) were examined using the NO2 asymmetric stretching mode as a structural marker. Both intra- and intermolecular vibrational energy transfers were observed in HHTT microcrystal, where the well-known α-conformation was retained. However, less perfect α-HHTT species was found in DMSO. An intermolecular energy dissipation pathway was found to be related to Davydov splitting in the microcrystal form of HHTT, which originates from intermolecular interactions (e.g., electrostatic and hydrogen bonds). Experimental results were supported by quantum-chemistry computations. In addition, both vibrational excited-state relaxation and vibrational energy-transfer processes were found to be more efficient in HHTT microcrystal than in the solvated form. Our work provides a chemical-bond level of insight into the nitro group-containing energetic materials.

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Section: Methodsmentioning

confidence: 99%

Ultrafast Intermolecular Vibrational Energy Transfer in Hexahydro-1,3,5-trinitro-1,3,5-triazine in Molecular Crystal by 2D IR Spectroscopy

Shi

Zhao

et al. 2020

J. Phys. Chem. C

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“…[9][10][11][12][13] Although this results in an increase in the specific impulse (I sp ), implementation of HECs is limited due to the increased hazard that the high-energy explosive additives bring with them, since they are impact and friction sensitive additives. [9][10][11][12][13] It has been reported in the literature, that computational results for TKX-50-based solid rocket propellant formulations (22 % energetic binder, 20 % oxidizer, 18 % Al, 40 % TKX-50) indicated that TKX-50 shows a higher density impulse than HMX, but is lower than that of CL-20. [14] The NASA SP-273 computer code was used to predict the parameters of rocket propellant formulations, and was able to show that TKX-50 containing formulations showed a superior specific impulse value compared to corresponding formulations in which TKX-50 was replaced by other common explosives.…”

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confidence: 99%

Theoretical evaluation of TKX‐50 as an ingredient in rocket propellants

Klapötke¹,

Sućeska

2021

Zeitschrift anorg allge chemie

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Dihydroxylammonium‐5,5′‐bistetrazolyl‐1,1′‐diolate (TKX‐50), is one of the most promising energetic materials that has been reported in recent time. TKX‐50 shows great potential for future application as a secondary explosive, due to its sensitivity and explosive performance data. In this work, we report initial computational results which have been undertaken to investigate the viability of the application of TKX‐50 as an energetic ingredient in rocket propellants.

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“…Recently, many studies have focused on obtaining new oxidizing agents, by synthesis of novel compounds or modification of known compounds. The aim was to obtain compounds that meet the current requirements for solid rocket fuels (non-polluting, characterized by a good oxygen balance and providing high specific impulse) [41][42][43].…”

Section: Novel Oxidizing Agentsmentioning

confidence: 99%