ISIS Neutron and Muon Source Data Journal

A High-Pressure investigation on 3,4,5-Trinitropyrazole

Abstract: This proposal will explore the effect of elevated pressure on the 3,4,5-Trinitropyrazole (TNP). TNP releases a large amount of dinitrogen gas as a detonation product which is neither toxic nor environmentally harmful, unlike most conventional explosives. They produce less carbon monoxide, soot and other oxidised toxic explosive residues. TNP is therefore considered as green energetic material. We are proposing a careful high-pressure neutron diffraction studyon TNP under hydrostatic conditions, with the aims of (i) identifying the evolution of structure as a function of pressure, including the changes in intermolecular interactions, (ii) determining reliable equations of state for TNP. These experimental resultswill be compared with the outputs from DFT-D calculations. These results will provide an enhanced understanding of the behaviour of this new energetic material.

Principal Investigator: Dr Sumit Konar
Experimenter: Professor Colin Pulham
Experimenter: Miss nurunnisa atceken
Experimenter: Dr Craig Bull
Experimenter: Mr AKACHAI KHUMSRI

DOI: 10.5286/ISIS.E.RB1920623

ISIS Experiment Number: RB1920623

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Sumit Konar et al; (2019): A High-Pressure investigation on 3,4,5-Trinitropyrazole, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1920623

Data is released under the CC-BY-4.0 license.