Thermodynamics of HMX Polymorphs and HMX/RDX Mixtures
Abstract
In this paper, we present thermodynamic models for the five most commonly studied phases of the energetic material octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX): liquid HMX and four solid polymorphs (α-, β-, γ-, and δ-HMX). We show results for the density, heat capacity, bulk modulus, and sound speed, as well as a phase diagram that illustrates the temperature and pressure regions over which the various HMX phases are most thermodynamically stable. The models are based on the same equation of state presented in our recently published paper [Myint et al., Ind. Eng. Chem. Res., 2016, 55, 2252] on another energetic material, hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). We combine our HMX and RDX models together so that the equation of state can also be applied to liquid and solid mixtures of HMX/RDX. This allows us to generate an HMX/RDX phase diagram and calculate the enthalpy change associated with a few different kinds of phase transitions that these mixtures may undergo. Our paper is the first to present a single equation of state that is capable of modeling both pure HMX and HMX/RDX mixtures. A distinct feature of HMX is the strongly metastable nature of its polymorphs. This has caused some ambiguity in the literature regarding the thermodynamic stabilitymore »
- Authors:
-
[1];
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). Design Physics Division
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States). Materials Science Division
- Publication Date:
- Research Org.:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE; USDOD
- OSTI Identifier:
- 1438669
- Report Number(s):
- LLNL-JRNL-703524
Journal ID: ISSN 0888-5885
- Grant/Contract Number:
- AC52-07NA27344
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Industrial and Engineering Chemistry Research
- Additional Journal Information:
- Journal Volume: 56; Journal Issue: 1; Journal ID: ISSN 0888-5885
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Myint, Philip C., and Nichols, Albert L. Thermodynamics of HMX Polymorphs and HMX/RDX Mixtures. United States: N. p., 2016.
Web. doi:10.1021/acs.iecr.6b03697.
Myint, Philip C., & Nichols, Albert L. Thermodynamics of HMX Polymorphs and HMX/RDX Mixtures. United States. https://doi.org/10.1021/acs.iecr.6b03697
Myint, Philip C., and Nichols, Albert L. Fri .
"Thermodynamics of HMX Polymorphs and HMX/RDX Mixtures". United States. https://doi.org/10.1021/acs.iecr.6b03697. https://www.osti.gov/servlets/purl/1438669.
@article{osti_1438669,
title = {Thermodynamics of HMX Polymorphs and HMX/RDX Mixtures},
author = {Myint, Philip C. and Nichols, Albert L.},
abstractNote = {In this paper, we present thermodynamic models for the five most commonly studied phases of the energetic material octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX): liquid HMX and four solid polymorphs (α-, β-, γ-, and δ-HMX). We show results for the density, heat capacity, bulk modulus, and sound speed, as well as a phase diagram that illustrates the temperature and pressure regions over which the various HMX phases are most thermodynamically stable. The models are based on the same equation of state presented in our recently published paper [Myint et al., Ind. Eng. Chem. Res., 2016, 55, 2252] on another energetic material, hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX). We combine our HMX and RDX models together so that the equation of state can also be applied to liquid and solid mixtures of HMX/RDX. This allows us to generate an HMX/RDX phase diagram and calculate the enthalpy change associated with a few different kinds of phase transitions that these mixtures may undergo. Our paper is the first to present a single equation of state that is capable of modeling both pure HMX and HMX/RDX mixtures. A distinct feature of HMX is the strongly metastable nature of its polymorphs. This has caused some ambiguity in the literature regarding the thermodynamic stability of α-HMX. Finally, by examining possible arrangements for the relative order of the six different solid-solid transition (α–β, α–γ, α–δ, β–γ, β–δ, and γ–δ) temperatures, we conclude that α-HMX must be thermodynamically stable so that the HMX phase diagram must have an α phase region.},
doi = {10.1021/acs.iecr.6b03697},
journal = {Industrial and Engineering Chemistry Research},
number = 1,
volume = 56,
place = {United States},
year = {Fri Dec 09 00:00:00 EST 2016},
month = {Fri Dec 09 00:00:00 EST 2016}
}
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