Shock-induced chemistry of phenylacetylene

Dattelbaum, Dana M.; Sheffield, Stephen A.; Coe, Joshua D.; Margevicius, Madeline A.

doi:10.1088/1742-6596/500/2/022004

Title: Shock-induced chemistry of phenylacetylene

Abstract

Gas gun-driven shock compression experiments of phenylacetylene using embedded electromagnetic gauging were used to obtain in situ particle velocity wave profiles at multiple Lagrangian positions at several shock input conditions. At shock conditions above 6 GPa, the input shock wave evolved over time and distance into a complex multiple wave structure due to shock-driven chemical reactions. The 3-wave structure was marked by a fast risetime 2nd wave, slower risetime 3rd wave, and unusual wave dynamics in the 1st wave. From the measured shock and particle velocities, the 1st wave, and intermediate and final product states associated with the chemical reactions were determined. A thermodynamically complete unreacted equation of state was calibrated to estimate the temperature rise along the shock locus. Use of this EOS with the measured 2nd and 3rd wave risetimes yielded highly statesensitive global reaction rates as a function of the shock locus.

Authors:

Dattelbaum, Dana M. ^[1]; Sheffield, Stephen A. ^[1]; Coe, Joshua D. ^[1]; Margevicius, Madeline A. ^[1]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Publication Date:: Wed May 07 00:00:00 EDT 2014

Research Org.:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Org.:: USDOE Laboratory Directed Research and Development (LDRD) Program

OSTI Identifier:: 1505977

Report Number(s):: LA-UR-13-27999
Journal ID: ISSN 1742-6596

Grant/Contract Number:: 89233218CNA000001

Resource Type:: Accepted Manuscript

Journal Name:: Journal of Physics. Conference Series (Online)

Additional Journal Information:: Journal Name: Journal of Physics. Conference Series (Online); Journal Volume: 500; Journal Issue: 2; Journal ID: ISSN 1742-6596

Publisher:: Institute of Physics (IOP)

Country of Publication:: United States

Language:: English

Subject:: 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats


                    Dattelbaum, Dana M., Sheffield, Stephen A., Coe, Joshua D., and Margevicius, Madeline A. Shock-induced chemistry of phenylacetylene.  United States: N. p., 2014. 
Web.  doi:10.1088/1742-6596/500/2/022004.

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                    Dattelbaum, Dana M., Sheffield, Stephen A., Coe, Joshua D., & Margevicius, Madeline A. Shock-induced chemistry of phenylacetylene.  United States.  https://doi.org/10.1088/1742-6596/500/2/022004

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                    Dattelbaum, Dana M., Sheffield, Stephen A., Coe, Joshua D., and Margevicius, Madeline A. Wed .  
"Shock-induced chemistry of phenylacetylene".  United States.  https://doi.org/10.1088/1742-6596/500/2/022004.  https://www.osti.gov/servlets/purl/1505977.

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@article{osti_1505977,

  title        = {Shock-induced chemistry of phenylacetylene},

  author       = {Dattelbaum, Dana M. and Sheffield, Stephen A. and Coe, Joshua D. and Margevicius, Madeline A.},

  abstractNote = {Gas gun-driven shock compression experiments of phenylacetylene using embedded electromagnetic gauging were used to obtain in situ particle velocity wave profiles at multiple Lagrangian positions at several shock input conditions. At shock conditions above 6 GPa, the input shock wave evolved over time and distance into a complex multiple wave structure due to shock-driven chemical reactions. The 3-wave structure was marked by a fast risetime 2nd wave, slower risetime 3rd wave, and unusual wave dynamics in the 1st wave. From the measured shock and particle velocities, the 1st wave, and intermediate and final product states associated with the chemical reactions were determined. A thermodynamically complete unreacted equation of state was calibrated to estimate the temperature rise along the shock locus. Use of this EOS with the measured 2nd and 3rd wave risetimes yielded highly statesensitive global reaction rates as a function of the shock locus.},

  doi          = {10.1088/1742-6596/500/2/022004},

  journal      = {Journal of Physics. Conference Series (Online)},

  number       = 2,

  volume       = 500,

  place        = {United States},

  year         = {Wed May 07 00:00:00 EDT 2014},

  month        = {Wed May 07 00:00:00 EDT 2014}

}

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Journal Article:

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https://doi.org/10.1088/1742-6596/500/2/022004

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Cited by: 6 works

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Figures / Tables:

Figure 1: Chemical structure of phenylacetylene.

All figures and tables (6 total)

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Works referenced in this record:

High-pressure polymerization of phenylacetylene and of the benzene and acetylene moieties
journal, January 2003

Santoro, Mario; Ciabini, Lucia; Bini, Roberto
Journal of Raman Spectroscopy, Vol. 34, Issue 7-8
DOI: 10.1002/jrs.1024

Fourier transform infrared study of the pressure and laser induced polymerization of solid acetylene
journal, October 2000

Ceppatelli, Matteo; Santoro, Mario; Bini, Roberto
The Journal of Chemical Physics, Vol. 113, Issue 14
DOI: 10.1063/1.1288800

High pressure reactivity of solid benzene probed by infrared spectroscopy
journal, February 2002

Ciabini, Lucia; Santoro, Mario; Bini, Roberto
The Journal of Chemical Physics, Vol. 116, Issue 7
DOI: 10.1063/1.1435570

Introduction to Lattice Dynamics
book, February 2010

Dove, Martin T.
Cambridge Topics in Mineral Physics and Chemistry
DOI: 10.1017/CBO9780511619885

High Pressure Photoinduced Ring Opening of Benzene
journal, February 2002

Ciabini, Lucia; Santoro, Mario; Bini, Roberto
Physical Review Letters, Vol. 88, Issue 8
DOI: 10.1103/PhysRevLett.88.085505

Investigation of shock initiation to detonation in nitromethane
journal, April 1965

Dremin, A. N.; Savrov, S. D.; Andrievskii, A. N.
Combustion, Explosion, and Shock Waves, Vol. 1, Issue 2
DOI: 10.1007/BF00757222

Introduction to lattice dynamics
journal, July 1994

Stoica, T.
Materials Research Bulletin, Vol. 29, Issue 7
DOI: 10.1016/0025-5408(94)90209-7

Introduction to lattice dynamics
journal, August 1994

Belonoshko, Anatoly B.
Earth-Science Reviews, Vol. 36, Issue 3-4
DOI: 10.1016/0012-8252(94)90079-5

Works referencing / citing this record:

In situ insights into shock-driven reactive flow
conference, January 2018

Dattelbaum, Dana M.
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
DOI: 10.1063/1.5044769

Extended Lagrangian Born-Oppenheimer molecular dynamics simulations of the shock-induced chemistry of phenylacetylene
journal, February 2015

Cawkwell, M. J.; Niklasson, Anders M. N.; Dattelbaum, Dana M.
The Journal of Chemical Physics, Vol. 142, Issue 6
DOI: 10.1063/1.4907909

Figures / Tables found in this record:

Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.

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Similar Records

Title: Shock-induced chemistry of phenylacetylene

Abstract

Citation Formats

Figures / Tables:

High-pressure polymerization of phenylacetylene and of the benzene and acetylene moieties journal, January 2003

Fourier transform infrared study of the pressure and laser induced polymerization of solid acetylene journal, October 2000

High pressure reactivity of solid benzene probed by infrared spectroscopy journal, February 2002

Introduction to Lattice Dynamics book, February 2010

High Pressure Photoinduced Ring Opening of Benzene journal, February 2002

Investigation of shock initiation to detonation in nitromethane journal, April 1965

Introduction to lattice dynamics journal, July 1994

Introduction to lattice dynamics journal, August 1994

In situ insights into shock-driven reactive flow conference, January 2018

Extended Lagrangian Born-Oppenheimer molecular dynamics simulations of the shock-induced chemistry of phenylacetylene journal, February 2015

High-pressure polymerization of phenylacetylene and of the benzene and acetylene moieties
journal, January 2003

Fourier transform infrared study of the pressure and laser induced polymerization of solid acetylene
journal, October 2000

High pressure reactivity of solid benzene probed by infrared spectroscopy
journal, February 2002

Introduction to Lattice Dynamics
book, February 2010

High Pressure Photoinduced Ring Opening of Benzene
journal, February 2002

Investigation of shock initiation to detonation in nitromethane
journal, April 1965

Introduction to lattice dynamics
journal, July 1994

Introduction to lattice dynamics
journal, August 1994

In situ insights into shock-driven reactive flow
conference, January 2018

Extended Lagrangian Born-Oppenheimer molecular dynamics simulations of the shock-induced chemistry of phenylacetylene
journal, February 2015