Equations of state for polyethylene and its shock-driven decomposition products
Abstract
We construct new equations of state (EOS) for high density and ultrahigh molecular weight polyethylene and their chemical decomposition products under shock loading. The former were built using the SESAME framework, based in part on new specific heat and thermal expansion data reported here. The products EOS was based on thermochemical modeling under the assumption of full thermodynamic and chemical equilibrium. The products are represented as the ideal mixture of bulk carbon in the form of diamond, H2, H, and CH4. In the process of building a new EOS for the products, we recalibrated our exponential-6 pair potential for methane in order to better agree with data that have appeared since its original parameterization. The polyethylene EOS were calibrated to thermal, thermomechanical, and shock data, and their performance was evaluated in hydrodynamic modeling of deep release experiments reported previously.
- Authors:
-
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Publication Date:
- Research Org.:
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1558973
- Alternate Identifier(s):
- OSTI ID: 1545909
- Report Number(s):
- LA-UR-19-23172
Journal ID: ISSN 0021-8979; TRN: US2000269
- Grant/Contract Number:
- 89233218CNA000001
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Applied Physics
- Additional Journal Information:
- Journal Volume: 126; Journal Issue: 4; Journal ID: ISSN 0021-8979
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; polyethylene; shock physics; equation of state
Citation Formats
Maerzke, Katie A., Coe, Joshua Damon, Ticknor, Christopher, Leiding, Jeffery Allen, Gammel, J. Tinka, and Welch, Cynthia F. Equations of state for polyethylene and its shock-driven decomposition products. United States: N. p., 2019.
Web. doi:10.1063/1.5099371.
Maerzke, Katie A., Coe, Joshua Damon, Ticknor, Christopher, Leiding, Jeffery Allen, Gammel, J. Tinka, & Welch, Cynthia F. Equations of state for polyethylene and its shock-driven decomposition products. United States. doi:10.1063/1.5099371.
Maerzke, Katie A., Coe, Joshua Damon, Ticknor, Christopher, Leiding, Jeffery Allen, Gammel, J. Tinka, and Welch, Cynthia F. Wed .
"Equations of state for polyethylene and its shock-driven decomposition products". United States. doi:10.1063/1.5099371. https://www.osti.gov/servlets/purl/1558973.
@article{osti_1558973,
title = {Equations of state for polyethylene and its shock-driven decomposition products},
author = {Maerzke, Katie A. and Coe, Joshua Damon and Ticknor, Christopher and Leiding, Jeffery Allen and Gammel, J. Tinka and Welch, Cynthia F.},
abstractNote = {We construct new equations of state (EOS) for high density and ultrahigh molecular weight polyethylene and their chemical decomposition products under shock loading. The former were built using the SESAME framework, based in part on new specific heat and thermal expansion data reported here. The products EOS was based on thermochemical modeling under the assumption of full thermodynamic and chemical equilibrium. The products are represented as the ideal mixture of bulk carbon in the form of diamond, H2, H, and CH4. In the process of building a new EOS for the products, we recalibrated our exponential-6 pair potential for methane in order to better agree with data that have appeared since its original parameterization. The polyethylene EOS were calibrated to thermal, thermomechanical, and shock data, and their performance was evaluated in hydrodynamic modeling of deep release experiments reported previously.},
doi = {10.1063/1.5099371},
journal = {Journal of Applied Physics},
number = 4,
volume = 126,
place = {United States},
year = {2019},
month = {7}
}
Web of Science
Works referenced in this record:
Properties of Marlex 50 Ethylene Polymer
journal, July 1956
- Jones, R. V.; Boeke, P. J.
- Industrial & Engineering Chemistry, Vol. 48, Issue 7
Molecular Structure of Marlex Polymers
journal, July 1956
- Smith, D. C.
- Industrial & Engineering Chemistry, Vol. 48, Issue 7
Shock temperature measurements of planetary ices: NH 3 , CH 4 , and ‘‘synthetic Uranus’’
journal, December 1990
- Radousky, H. B.; Mitchell, A. C.; Nellis, W. J.
- The Journal of Chemical Physics, Vol. 93, Issue 11
The Riemann problem for fluid flow of real materials
journal, January 1989
- Menikoff, Ralph; Plohr, Bradley J.
- Reviews of Modern Physics, Vol. 61, Issue 1
Low pressure shock response and dynamic failure of high density polyethylene (HDPE)
conference, January 2018
- Jordan, Jennifer L.; Dattelbaum, Dana M.; Schilling, Benjamin F.
- SHOCK COMPRESSION OF CONDENSED MATTER - 2017: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings
A high‐density fluid‐perturbation theory based on an inverse 12th‐power hard‐sphere reference system
journal, August 1979
- Ross, Marvin
- The Journal of Chemical Physics, Vol. 71, Issue 4
Enthalpy and Heat-Capacity Standard Reference Material: Synthetic Sapphire (Alpha-Al2O3) From 10 to 2250 K
journal, March 1982
- Ditmars, D. A.; Ishihara, S.; Chang, S. S.
- Journal of Research of the National Bureau of Standards, Vol. 87, Issue 2
Brillouin scattering study of liquid methane under high pressures and high temperatures
journal, July 2010
- Li, Min; Li, Fangfei; Gao, Wei
- The Journal of Chemical Physics, Vol. 133, Issue 4
Laser interferometer for measuring high velocities of any reflecting surface
journal, November 1972
- Barker, L. M.; Hollenbach, R. E.
- Journal of Applied Physics, Vol. 43, Issue 11
Compact system for high-speed velocimetry using heterodyne techniques
journal, August 2006
- Strand, O. T.; Goosman, D. R.; Martinez, C.
- Review of Scientific Instruments, Vol. 77, Issue 8
The equation of state of polytetrafluoroethylene to 80 GPa
journal, May 1984
- Morris, C. E.; Fritz, J. N.; McQueen, R. G.
- The Journal of Chemical Physics, Vol. 80, Issue 10
Evidence for Crystalline Structure in Dynamically-Compressed Polyethylene up to 200 GPa
journal, March 2019
- Hartley, N. J.; Brown, S.; Cowan, T. E.
- Scientific Reports, Vol. 9, Issue 1
Liquid Structure of Shock-Compressed Hydrocarbons at Megabar Pressures
journal, December 2018
- Hartley, N. J.; Vorberger, J.; Döppner, T.
- Physical Review Letters, Vol. 121, Issue 24
Equation of state and optical luminosity of benzene, polybutene, and polyethylene shocked to 210 GPa (2.1 Mbar)
journal, March 1984
- Nellis, W. J.; Ree, F. H.; Trainor, R. J.
- The Journal of Chemical Physics, Vol. 80, Issue 6
Measurement of the slope of shock velocity-particle velocity Hugoniot curve for polymers
conference, January 2000
- Mori, Yasuhito
- Shock compression of condensed matter, AIP Conference Proceedings
Intrinsic photoconduction and photoemission in polyethylene
journal, October 1973
- Less, K. J.; Wilson, E. G.
- Journal of Physics C: Solid State Physics, Vol. 6, Issue 21
Ab initio simulations of hot dense methane during shock experiments
journal, December 2012
- Sherman, Benjamin L.; Wilson, Hugh F.; Weeraratne, Dayanthie
- Physical Review B, Vol. 86, Issue 22
Sound speed measurements in zirconium using the front surface impact technique
journal, May 2014
- Rigg, P. A.; Saavedra, R. A.; Scharff, R. J.
- Journal of Physics: Conference Series, Vol. 500, Issue 3
Electrical conductivities of methane, benzene, and polybutene shock compressed to 60 GPa (600 kbar)
journal, July 2001
- Nellis, W. J.; Hamilton, D. C.; Mitchell, A. C.
- The Journal of Chemical Physics, Vol. 115, Issue 2
Heat capacity and other thermodynamic properties of linear macromolecules. II. Polyethylene
journal, January 1981
- Gaur, Umesh; Wunderlich, Bernhard
- Journal of Physical and Chemical Reference Data, Vol. 10, Issue 1
Reactive Monte Carlo sampling with an ab initio potential
journal, May 2016
- Leiding, Jeff; Coe, Joshua D.
- The Journal of Chemical Physics, Vol. 144, Issue 17
High pressure deep-release impact experiments on high density and ultra-high molecular weight polyethylene
conference, January 2018
- Hooks, D. E.; Lang, J. M.; Coe, J. D.
- SHOCK COMPRESSION OF CONDENSED MATTER - 2017: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter, AIP Conference Proceedings
Formation of diamonds in laser-compressed hydrocarbons at planetary interior conditions
journal, August 2017
- Kraus, D.; Vorberger, J.; Pak, A.
- Nature Astronomy, Vol. 1, Issue 9
Some Observations on Measuring Sound Speeds in Polymers Using Time-of-Flight
journal, April 2016
- Rae, P. J.; Brown, E. N.
- Experimental Techniques, Vol. 40, Issue 3
Shock Induced Chemistry In Liquids Studied With Ultrafast Dynamic Ellipsometry And Visible Transient Absorption Spectroscopy
journal, October 2012
- Dang, N. C.; Bolme, C. A.; Moore, D. S.
- The Journal of Physical Chemistry A, Vol. 116, Issue 42
Influence of Molecular Conformation on the Constitutive Response of Polyethylene: A Comparison of HDPE, UHMWPE, and PEX
journal, March 2007
- Brown, E. N.; Willms, R. B.; Gray, G. T.
- Experimental Mechanics, Vol. 47, Issue 3
Deduction of the Volume Dependence of the Cohesive Energy of Solids from Shock-Wave Compression Measurements
journal, April 1959
- Benedek, G. B.
- Physical Review, Vol. 114, Issue 2
Nonadiabatic contributions to the free energy from the electron-phonon interaction in Na, K, Al, and Pb
journal, October 2005
- Bock, N.; Coffey, D.; Wallace, Duane C.
- Physical Review B, Vol. 72, Issue 15
High-pressure chemistry of hydrocarbons relevant to planetary interiors and inertial confinement fusion
journal, May 2018
- Kraus, D.; Hartley, N. J.; Frydrych, S.
- Physics of Plasmas, Vol. 25, Issue 5
A Fundamental Derivative in Gasdynamics
journal, January 1971
- Thompson, Philip A.
- Physics of Fluids, Vol. 14, Issue 9
The shock induced equation of state of three simple polymers
journal, September 2004
- Millett, J. C. F.; Bourne, N. K.
- Journal of Physics D: Applied Physics, Vol. 37, Issue 20
Shock-Driven Decomposition of Polymers and Polymeric Foams
journal, March 2019
- Dattelbaum, Dana; Coe, Joshua
- Polymers, Vol. 11, Issue 3
Shock compression of liquid carbon monoxide and methane to 90 GPa (900 kbar)
journal, September 1981
- Nellis, W. J.; Ree, F. H.; van Thiel, M.
- The Journal of Chemical Physics, Vol. 75, Issue 6
Shockwave response of two carbon fiber-polymer composites to 50 GPa
journal, November 2014
- Dattelbaum, Dana M.; Coe, Joshua D.; Rigg, Paulo A.
- Journal of Applied Physics, Vol. 116, Issue 19
Reactive, anomalous compression in shocked polyurethane foams
journal, May 2014
- Dattelbaum, Dana M.; Coe, Joshua D.; Kiyanda, Charles B.
- Journal of Applied Physics, Vol. 115, Issue 17
Thermodynamic modelling of detonation H-N-O high explosives
journal, September 2016
- Bogdanova, Yu A.; Gubin, S. A.; Anikeev, A. A.
- Journal of Physics: Conference Series, Vol. 751
Repulsive forces of simple molecules and mixtures at high density and temperature
journal, December 1980
- Ross, M.; Ree, F. H.
- The Journal of Chemical Physics, Vol. 73, Issue 12
Evidence for Crystalline Structure in Dynamically-Compressed Polyethylene up to 200 GPa
text, January 2019
- Hartley, N. J.; Brown, S.; Cowan, T. E.
- GSI Helmholtzzentrum fuer Schwerionenforschung, GSI, Darmstadt
Works referencing / citing this record:
Equation of state for a chemically dissociative, polyatomic system: Carbon dioxide
journal, December 2019
- Wu, Christine J.; Young, David A.; Sterne, Philip A.
- The Journal of Chemical Physics, Vol. 151, Issue 22