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DOE OSTI · 3684009

High Pressure X-ray Diffraction and Equation of State of Hydrazine

Ripani, Roma [University of Illinois, Chicago, IL (United States)] (ORCID:0000000289366011)·Lamichhane, Anmol [University of Illinois, Chicago, IL (United States)]·Safari, Fatemeh [University of Illinois, Chicago, IL (United States)] (ORCID:000000024584339X)·Gramsch, Stephen A. [University of Illinois, Chicago, IL (United States)]·Ahart, Muhtar [University of Illinois, Chicago, IL (United States)]·Manayil Marathamkottil, Abdul Haseeb [University of Illinois, Chicago, IL (United States)]·Farraj, Husam [University of Illinois, Chicago, IL (United States)] (ORCID:0000000166697937)·Giordano, Nico [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)] (ORCID:0000000195181251)·Glazyrin, Konstantin [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)]·Smith, Jesse [Argonne National Laboratory (ANL), Argonne, IL (United States). High Pressure Collaborative Access Team (HPCAT)]·Parra, Samuel Gallego [European Synchrotron Research Facility (ESRF), Grenoble (France)] (ORCID:0000000165164303)·Mondal, Anshuman [European Synchrotron Research Facility (ESRF), Grenoble (France); National Institute of Technology, Agartala (India)]·Garbarino, Gaston [European Synchrotron Research Facility (ESRF), Grenoble (France)]·Dattelbaum, Dana M. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)]·Chaudhuri, Santanu [University of Illinois, Chicago, IL (United States)] (ORCID:0000000243282947)·Miyagi, Lowell M. [University of Utah, Salt Lake City, UT (United States)]·Hemley, Russell J. [University of Illinois, Chicago, IL (United States)] (ORCID:0000000173988521)
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Abstract

Synchrotron X-ray diffraction has been used to investigate the structure and equation of state (EOS) of hydrazine (N 2 H 4 ) up to 54.3 GPa at 298 K. The diffraction patterns could be fit to a monoclinic unit-cell structure and put strong constraints on previously reported phase transitions documented by vibrational spectroscopy over this pressure range. Pressure–volume ( P–V ) data were fit using a Vinet EOS, yielding parameters: V 0 = 45.2 Å 3 /molecule (fixed), K 0 = 11.8(7) GPa, and K 0 ′ = 6.5(2). Previously measured high-pressure vibrational frequency shifts were used to estimate the vibrational free energy and model P–V–T isotherms from 0 to 1200 K. The results of the P–V–T isotherms are compared to existing shock Hugoniot data on hydrazine and 298 K isotherms for assemblages of possible decomposition products. This comparison suggests dissociation at high density under shock loading. Good correspondence was found between the static lattice EOS as calculated by the model and the previously reported EOS as calculated by density functional theory. Finally, these results resolve existing uncertainties about the EOS and crystal symmetry of hydrazine at high pressure and provide valuable baseline information on this important energetic material.

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Ripani, Roma [University of Illinois, Chicago, IL (United States)] (ORCID:0000000289366011), Lamichhane, Anmol [University of Illinois, Chicago, IL (United States)], Safari, Fatemeh [University of Illinois, Chicago, IL (United States)] (ORCID:000000024584339X), Gramsch, Stephen A. [University of Illinois, Chicago, IL (United States)], Ahart, Muhtar [University of Illinois, Chicago, IL (United States)], Manayil Marathamkottil, Abdul Haseeb [University of Illinois, Chicago, IL (United States)], Farraj, Husam [University of Illinois, Chicago, IL (United States)] (ORCID:0000000166697937), Giordano, Nico [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)] (ORCID:0000000195181251), Glazyrin, Konstantin [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)], Smith, Jesse [Argonne National Laboratory (ANL), Argonne, IL (United States). High Pressure Collaborative Access Team (HPCAT)], Parra, Samuel Gallego [European Synchrotron Research Facility (ESRF), Grenoble (France)] (ORCID:0000000165164303), Mondal, Anshuman [European Synchrotron Research Facility (ESRF), Grenoble (France); National Institute of Technology, Agartala (India)], Garbarino, Gaston [European Synchrotron Research Facility (ESRF), Grenoble (France)], Dattelbaum, Dana M. [Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)], Chaudhuri, Santanu [University of Illinois, Chicago, IL (United States)] (ORCID:0000000243282947), Miyagi, Lowell M. [University of Utah, Salt Lake City, UT (United States)], Hemley, Russell J. [University of Illinois, Chicago, IL (United States)] (ORCID:0000000173988521). 2026-03-13. High Pressure X-ray Diffraction and Equation of State of Hydrazine. https://doi.org/10.1021/acs.jpcc.5c06806

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