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Title: An experimental and theoretical study of the thermal decomposition of C4H6 isomers

Abstract

The chemistry of small unsaturated hydrocarbons, such as 1,3–butadiene (1,3–C4H6), 1,2–butadiene (1,2–C4H6), 2–butyne (2–C4H6) and 1–butyne (1–C4H6), is of central importance to the modeling of combustion systems. These species are important intermediates in combustion processes, and yet their high-temperature chemistry remains poorly understood, with various dissociation and isomerization pathways proposed in the literature. Here we investigate the thermal decompositions of 1,3–C4H6, 1,2–C4H6, 2–C4H6 and 1–C4H6 inside a diaphragmless shock tube, at post shock total pressures of 26–261 Torr and temperatures ranging from 1428–2354 K, using laser schlieren densitometry. The experimental work has been complemented by high-level ab initio calculations, which collectively provide strong evidence that formally direct dissociation is the major channel for pyrolysis of 1,3–C4H6 and 2–C4H6; these paths have not been previously reported but are critical to reconciling the current work and disparate literature reports. The reaction mechanism presented here simulates the current experiments and experimental data from the literature very well. As a result, pressure and temperature dependent rate coefficients are given for the isomerization, formally direct and direct dissociation paths.

Authors:
 [1]; ORCiD logo [2];  [1]; ORCiD logo [3]; ORCiD logo [1]
  1. Argonne National Lab. (ANL), Argonne, IL (United States)
  2. Brown Univ., Providence, RI (United States)
  3. Argonne National Lab. (ANL), Argonne, IL (United States); The Univ. of Chicago, Chicago, IL (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1371560
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory
Additional Journal Information:
Journal Volume: 121; Journal Issue: 20; Journal ID: ISSN 1089-5639
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Lockhart, James P. A., Goldsmith, C. Franklin, Randazzo, John B., Ruscic, Branko, and Tranter, Robert S.. An experimental and theoretical study of the thermal decomposition of C4H6 isomers. United States: N. p., 2017. Web. doi:10.1021/acs.jpca.7b01186.
Lockhart, James P. A., Goldsmith, C. Franklin, Randazzo, John B., Ruscic, Branko, & Tranter, Robert S.. An experimental and theoretical study of the thermal decomposition of C4H6 isomers. United States. https://doi.org/10.1021/acs.jpca.7b01186
Lockhart, James P. A., Goldsmith, C. Franklin, Randazzo, John B., Ruscic, Branko, and Tranter, Robert S.. Tue . "An experimental and theoretical study of the thermal decomposition of C4H6 isomers". United States. https://doi.org/10.1021/acs.jpca.7b01186. https://www.osti.gov/servlets/purl/1371560.
@article{osti_1371560,
title = {An experimental and theoretical study of the thermal decomposition of C4H6 isomers},
author = {Lockhart, James P. A. and Goldsmith, C. Franklin and Randazzo, John B. and Ruscic, Branko and Tranter, Robert S.},
abstractNote = {The chemistry of small unsaturated hydrocarbons, such as 1,3–butadiene (1,3–C4H6), 1,2–butadiene (1,2–C4H6), 2–butyne (2–C4H6) and 1–butyne (1–C4H6), is of central importance to the modeling of combustion systems. These species are important intermediates in combustion processes, and yet their high-temperature chemistry remains poorly understood, with various dissociation and isomerization pathways proposed in the literature. Here we investigate the thermal decompositions of 1,3–C4H6, 1,2–C4H6, 2–C4H6 and 1–C4H6 inside a diaphragmless shock tube, at post shock total pressures of 26–261 Torr and temperatures ranging from 1428–2354 K, using laser schlieren densitometry. The experimental work has been complemented by high-level ab initio calculations, which collectively provide strong evidence that formally direct dissociation is the major channel for pyrolysis of 1,3–C4H6 and 2–C4H6; these paths have not been previously reported but are critical to reconciling the current work and disparate literature reports. The reaction mechanism presented here simulates the current experiments and experimental data from the literature very well. As a result, pressure and temperature dependent rate coefficients are given for the isomerization, formally direct and direct dissociation paths.},
doi = {10.1021/acs.jpca.7b01186},
journal = {Journal of Physical Chemistry. A, Molecules, Spectroscopy, Kinetics, Environment, and General Theory},
number = 20,
volume = 121,
place = {United States},
year = {Tue Apr 25 00:00:00 EDT 2017},
month = {Tue Apr 25 00:00:00 EDT 2017}
}

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Works referenced in this record:

Formation mechanisms of aromatic compounds in aliphatic flames
journal, April 1984


Forming benzene in flames by chemically activated isomerization
journal, December 1989

  • Westmoreland, Phillip R.; Dean, Anthony M.; Howard, Jack B.
  • The Journal of Physical Chemistry, Vol. 93, Issue 25
  • DOI: 10.1021/j100362a008

Kinetic and thermodynamic issues in the formation of aromatic compounds in flames of aliphatic fuels
journal, October 1992


Modeling of Aromatic and Polycyclic Aromatic Hydrocarbon Formation in Premixed Methane and Ethane Flames
journal, August 1996

  • Marinov, N. M.; Pitz, W. J.; Westbrook, C. K.
  • Combustion Science and Technology, Vol. 116-117, Issue 1-6
  • DOI: 10.1080/00102209608935550

Decomposition of 2-Methylfuran. Experimental and Modeling Study
journal, February 1997

  • Lifshitz, Assa; Tamburu, Carmen; Shashua, Ronen
  • The Journal of Physical Chemistry A, Vol. 101, Issue 6
  • DOI: 10.1021/jp962646c

Thermal Decomposition of 2,5-Dimethylfuran. Experimental Results and Computer Modeling
journal, December 1998

  • Lifshitz, Assa; Tamburu, Carmen; Shashua, Ronen
  • The Journal of Physical Chemistry A, Vol. 102, Issue 52
  • DOI: 10.1021/jp982772b

The pyrolysis of 2-methylfuran: a quantum chemical, statistical rate theory and kinetic modelling study
journal, January 2014

  • Somers, Kieran P.; Simmie, John M.; Metcalfe, Wayne K.
  • Physical Chemistry Chemical Physics, Vol. 16, Issue 11
  • DOI: 10.1039/c3cp54915a

A comprehensive experimental and detailed chemical kinetic modelling study of 2,5-dimethylfuran pyrolysis and oxidation
journal, November 2013


Ab Initio Study of the Decomposition of 2,5-Dimethylfuran
journal, August 2011

  • Simmie, John M.; Metcalfe, Wayne K.
  • The Journal of Physical Chemistry A, Vol. 115, Issue 32
  • DOI: 10.1021/jp2039477

Recent progress in the development of biofuel 2,5-dimethylfuran
journal, January 2015


The high temperature pyrolysis of 1,3-butadiene: heat of formation and rate of dissociation of vinyl radical
journal, May 1985

  • Kiefer, J. H.; Wei, H. C.; Kern, R. D.
  • International Journal of Chemical Kinetics, Vol. 17, Issue 2
  • DOI: 10.1002/kin.550170208

Formation of H and D atoms in pyrolysis of 1,3-butadiene and 1,3 butadiene-1,1,4,4,-d4 behind shock waves
journal, February 1988

  • Rao, V. S.; Takeda, Kunio; Skinner, Gordon B.
  • International Journal of Chemical Kinetics, Vol. 20, Issue 2
  • DOI: 10.1002/kin.550200208

Thermal decomposition of 1,2 butadiene
journal, September 1988

  • Kern, R. D.; Singh, H. J.; Wu, C. H.
  • International Journal of Chemical Kinetics, Vol. 20, Issue 9
  • DOI: 10.1002/kin.550200907

Shock tube and modeling study of 1,3‐butadiene pyrolysis
journal, January 1996


Thermal isomerization and decomposition of 1,2-butadiene in shock waves
journal, April 1995

  • Hidaka, Yoshiaki; Higashihara, Tetsuo; Ninomiya, Natsuhiko
  • International Journal of Chemical Kinetics, Vol. 27, Issue 4
  • DOI: 10.1002/kin.550270404

Thermal isomerization and decomposition of 2-butyne in shock waves
journal, October 1993

  • Hidaka, Yoshiaki; Higashihara, Tetsuo; Ninomiya, Natsuhiko
  • The Journal of Physical Chemistry, Vol. 97, Issue 42
  • DOI: 10.1021/j100144a014

Thermal decomposition of 1-butyne in shock waves
journal, April 1995

  • Hidaka, Yoshiaki; Higashihara, Tetsuo; Oki, Takashi
  • International Journal of Chemical Kinetics, Vol. 27, Issue 4
  • DOI: 10.1002/kin.550270403

Formation of H-atoms in the Pyrolysis of 1,3-butadiene and 2-butyne: A Shock Tube and Modelling Study
journal, May 2009

  • Peukert, Sebastian; Naumann, Clemens; Braun-Unkhoff, Marina
  • Zeitschrift für Physikalische Chemie, Vol. 223, Issue 4-5
  • DOI: 10.1524/zpch.2009.6046

Mechanistic Studies of the Pyrolysis of 1,3-Butadiene, 1,3-Butadiene-1,1,4,4- d 4 , 1,2-Butadiene, and 2-Butyne by Supersonic Jet/Photoionization Mass Spectrometry
journal, March 2005

  • Chambreau, Steven D.; Lemieux, Jessy; Wang, Liming
  • The Journal of Physical Chemistry A, Vol. 109, Issue 10
  • DOI: 10.1021/jp045010r

An ab Initio/RRKM Study of Product Branching Ratios in the Photodissociation of Buta-1,2- and -1,3-dienes and But-2-yne at 193 nm
journal, February 2003

  • Lee, Hwa-Yu; Kislov, Vadim V.; Lin, Sheng-Hsien
  • Chemistry - A European Journal, Vol. 9, Issue 3
  • DOI: 10.1002/chem.200390081

Unimolecular dissociation of cyclohexene at extremely high temperatures: behavior of the energy-transfer collision efficiency
journal, May 1987

  • Kiefer, John H.; Shah, Jatin N.
  • The Journal of Physical Chemistry, Vol. 91, Issue 11
  • DOI: 10.1021/j100295a076

Experimental and kinetic modeling study of butene isomer pyrolysis: Part I. 1- and 2-Butene
journal, November 2016


Heats of formation of gaseous free radicals via ion cyclotron double resonance spectroscopy
journal, May 1980

  • DeFrees, Douglas J.; McIver, Robert T.; Hehre, Warren J.
  • Journal of the American Chemical Society, Vol. 102, Issue 10
  • DOI: 10.1021/ja00530a005

Evaluated Kinetic Data for Combustion Modeling: Supplement II
journal, September 2005

  • Baulch, D. L.; Bowman, C. T.; Cobos, C. J.
  • Journal of Physical and Chemical Reference Data, Vol. 34, Issue 3
  • DOI: 10.1063/1.1748524

A diaphragmless shock tube for high temperature kinetic studies
journal, January 2008

  • Tranter, Robert S.; Giri, Binod R.
  • Review of Scientific Instruments, Vol. 79, Issue 9
  • DOI: 10.1063/1.2976671

Note: An improved driver section for a diaphragmless shock tube
journal, January 2015

  • Randazzo, J. B.; Tranter, R. S.
  • Review of Scientific Instruments, Vol. 86, Issue 1
  • DOI: 10.1063/1.4906758

Physical optics of the laser-schlieren shock tube technique
journal, January 1981

  • Kiefer, J. H.; Al-Alami, M. Z.; Hajduk, J-C.
  • Applied Optics, Vol. 20, Issue 2
  • DOI: 10.1364/AO.20.000221

Refractivity of combustion gases
journal, January 1981


Introduction to Active Thermochemical Tables:  Several “Key” Enthalpies of Formation Revisited
journal, November 2004

  • Ruscic, Branko; Pinzon, Reinhardt E.; Morton, Melita L.
  • The Journal of Physical Chemistry A, Vol. 108, Issue 45
  • DOI: 10.1021/jp047912y

Active Thermochemical Tables: thermochemistry for the 21st century
journal, January 2005

  • Ruscic, Branko; Pinzon, Reinhardt E.; Laszewski, Gregor von
  • Journal of Physics: Conference Series, Vol. 16
  • DOI: 10.1088/1742-6596/16/1/078

Active Thermochemical Tables:  Accurate Enthalpy of Formation of Hydroperoxyl Radical, HO 2
journal, June 2006

  • Ruscic, Branko; Pinzon, Reinhardt E.; Morton, Melita L.
  • The Journal of Physical Chemistry A, Vol. 110, Issue 21
  • DOI: 10.1021/jp056311j

Active Thermochemical Tables: Water and Water Dimer
journal, May 2013

  • Ruscic, Branko
  • The Journal of Physical Chemistry A, Vol. 117, Issue 46
  • DOI: 10.1021/jp403197t

Active Thermochemical Tables: dissociation energies of several homonuclear first-row diatomics and related thermochemical values
journal, November 2013

  • Ruscic, Branko; Feller, David; Peterson, Kirk A.
  • Theoretical Chemistry Accounts, Vol. 133, Issue 1
  • DOI: 10.1007/s00214-013-1415-z

On the HCN – HNC Energy Difference
journal, October 2015

  • Nguyen, Thanh L.; Baraban, Joshua H.; Ruscic, Branko
  • The Journal of Physical Chemistry A, Vol. 119, Issue 44
  • DOI: 10.1021/acs.jpca.5b08406

IUPAC Critical Evaluation of Thermochemical Properties of Selected Radicals. Part I
journal, June 2005

  • Ruscic, Branko; Boggs, James E.; Burcat, Alexander
  • Journal of Physical and Chemical Reference Data, Vol. 34, Issue 2
  • DOI: 10.1063/1.1724828

Methyl radical: ab initio global potential surface, vibrational levels and partition function
journal, January 2006

  • Medvedev, Dmitry M.; Harding, Lawrence B.; Gray *, Stephen K.
  • Molecular Physics, Vol. 104, Issue 1
  • DOI: 10.1080/00268970500238663

Effect of Darling-Dennison and Fermi resonance on thermodynamic functions
journal, May 1955

  • Woolley, Harold W.
  • Journal of Research of the National Bureau of Standards, Vol. 54, Issue 5
  • DOI: 10.6028/jres.054.034

Calculation of thermodynamic functions for polyatomic molecules
journal, February 1956

  • Woolley, Harold W.
  • Journal of Research of the National Bureau of Standards, Vol. 56, Issue 2
  • DOI: 10.6028/jres.056.015

Asymptotic Expansion of the Partition Function of the Asymmetric Top
journal, September 1951

  • Stripp, Kenneth F.; Kirkwood, John G.
  • The Journal of Chemical Physics, Vol. 19, Issue 9
  • DOI: 10.1063/1.1748490

Evaluated Enthalpies of Formation of the Stable Closed Shell C1 and C2 Chlorinated Hydrocarbons
journal, March 2002

  • Manion, Jeffrey A.
  • Journal of Physical and Chemical Reference Data, Vol. 31, Issue 1
  • DOI: 10.1063/1.1420703

Reformulation and Solution of the Master Equation for Multiple-Well Chemical Reactions
journal, May 2013

  • Georgievskii, Yuri; Miller, James A.; Burke, Michael P.
  • The Journal of Physical Chemistry A, Vol. 117, Issue 46
  • DOI: 10.1021/jp4060704

Role of O 2 + QOOH in Low-Temperature Ignition of Propane. 1. Temperature and Pressure Dependent Rate Coefficients
journal, March 2012

  • Goldsmith, C. Franklin; Green, William H.; Klippenstein, Stephen J.
  • The Journal of Physical Chemistry A, Vol. 116, Issue 13
  • DOI: 10.1021/jp210722w

Uncertainty propagation in the derivation of phenomenological rate coefficients from theory: A case study of n-propyl radical oxidation
journal, January 2013

  • Goldsmith, C. Franklin; Tomlin, Alison S.; Klippenstein, Stephen J.
  • Proceedings of the Combustion Institute, Vol. 34, Issue 1
  • DOI: 10.1016/j.proci.2012.05.091

Some Quantum‐Mechanical Considerations in the Theory of Reactions Involving an Activation Energy
journal, August 1939

  • Hirschfelder, J. O.; Wigner, E.
  • The Journal of Chemical Physics, Vol. 7, Issue 8
  • DOI: 10.1063/1.1750500

Unified statistical model for ’’complex’’ and ’’direct’’ reaction mechanisms
journal, September 1976

  • Miller, William H.
  • The Journal of Chemical Physics, Vol. 65, Issue 6
  • DOI: 10.1063/1.433379

Multiple transition states in unimolecular reactions: A transition state switching model. Application to the C 4 H 8+ ⋅ system
journal, February 1981

  • Chesnavich, Walter J.; Bass, Lewis; Su, Timothy
  • The Journal of Chemical Physics, Vol. 74, Issue 4
  • DOI: 10.1063/1.441385

Kinetics of elementary reactions in low-temperature autoignition chemistry
journal, August 2011

  • Zádor, Judit; Taatjes, Craig A.; Fernandes, Ravi X.
  • Progress in Energy and Combustion Science, Vol. 37, Issue 4
  • DOI: 10.1016/j.pecs.2010.06.006

Formally direct pathways and low-temperature chain branching in hydrocarbon autoignition: the cyclohexyl + O2 reaction at high pressure
journal, January 2009

  • Fernandes, Ravi X.; Zádor, Judit; Jusinski, Leonard E.
  • Physical Chemistry Chemical Physics, Vol. 11, Issue 9
  • DOI: 10.1039/b819825j

The reaction of hydroxyethyl radicals with O2: A theoretical analysis and experimental product study
journal, January 2009

  • Zádor, Judit; Fernandes, Ravi X.; Georgievskii, Yuri
  • Proceedings of the Combustion Institute, Vol. 32, Issue 1
  • DOI: 10.1016/j.proci.2008.05.020

Interception of Excited Vibrational Quantum States by O2 in Atmospheric Association Reactions
journal, August 2012


Mechanism of the Reaction of OH with Alkynes in the Presence of Oxygen
journal, June 2013

  • Lockhart, James; Blitz, Mark A.; Heard, Dwayne E.
  • The Journal of Physical Chemistry A, Vol. 117, Issue 26
  • DOI: 10.1021/jp404233b

Kinetic Study of the OH + Glyoxal Reaction: Experimental Evidence and Quantification of Direct OH Recycling
journal, October 2013

  • Lockhart, James; Blitz, Mark; Heard, Dwayne
  • The Journal of Physical Chemistry A, Vol. 117, Issue 43
  • DOI: 10.1021/jp4076806

Bimolecular reactions of activated species: An analysis of problematic HC(O)C(O) chemistry
journal, September 2016


The Dissociation of Diacetyl: A Shock Tube and Theoretical Study
journal, July 2009

  • Yang, Xueliang; Jasper, Ahren W.; Kiefer, John H.
  • The Journal of Physical Chemistry A, Vol. 113, Issue 29
  • DOI: 10.1021/jp903716f

Experimental and modeling of oxidation of acetylene, propyne, allene and 1,3-butadiene
journal, January 1999


Experimental and modeling study of the oxidation of 1-butyne and 2-butyne
journal, February 2002

  • Belmekki, N.; Glaude, P. A.; Da Costa, I.
  • International Journal of Chemical Kinetics, Vol. 34, Issue 3
  • DOI: 10.1002/kin.10035

H Atom Attack on Propene
journal, April 2011

  • Rosado-Reyes, Claudette M.; Manion, Jeffrey A.; Tsang, Wing
  • The Journal of Physical Chemistry A, Vol. 115, Issue 13
  • DOI: 10.1021/jp111476q

Evaluated Kinetics of Terminal and Non-Terminal Addition of Hydrogen Atoms to 1-Alkenes: A Shock Tube Study of H + 1-Butene
journal, January 2015

  • Manion, Jeffrey A.; Awan, Iftikhar A.
  • The Journal of Physical Chemistry A, Vol. 119, Issue 3
  • DOI: 10.1021/jp5110856

Dissociation of Propyl Radicals and Other Reactions on a C 3 H 7 Potential
journal, February 2013

  • Miller, James A.; Klippenstein, Stephen J.
  • The Journal of Physical Chemistry A, Vol. 117, Issue 13
  • DOI: 10.1021/jp312712p

Theoretical Study of the Straight-Chain C 4 H 7 Radical Isomers and Their Dissociation and Isomerization Transition States
journal, March 2004

  • Miller, Johanna L.
  • The Journal of Physical Chemistry A, Vol. 108, Issue 12
  • DOI: 10.1021/jp0374511

Exploration of the potential energy surface of C4H4 for rearrangement and decomposition reactions of vinylacetylene: A computational study. Part I
journal, January 2006

  • Cremer, Dieter; Kraka, Elfriede; Joo, Hyun
  • Physical Chemistry Chemical Physics, Vol. 8, Issue 45
  • DOI: 10.1039/b609284e

The Recombination of Propargyl Radicals and Other Reactions on a C 6 H 6 Potential
journal, October 2003

  • Miller, James A.; Klippenstein, Stephen J.
  • The Journal of Physical Chemistry A, Vol. 107, Issue 39
  • DOI: 10.1021/jp030375h

Association rate constants for reactions between resonance-stabilized radicals: C3H3 + C3H3, C3H3 + C3H5, and C3H5 + C3H5
journal, January 2007

  • Georgievskii, Yuri; Miller, James A.; Klippenstein, Stephen J.
  • Physical Chemistry Chemical Physics, Vol. 9, Issue 31
  • DOI: 10.1039/b703261g

Isomeric Product Distributions from the Self-Reaction of Propargyl Radicals
journal, July 2005

  • Tang, Weiyong; Tranter, Robert S.; Brezinsky, Kenneth
  • The Journal of Physical Chemistry A, Vol. 109, Issue 27
  • DOI: 10.1021/jp050640u

High-temeprature investigations on pyrolytic reactions of propargyl radicals
journal, January 2000


Kinetics and Products of the Self-Reaction of Propargyl Radicals
journal, October 2003

  • Shafir, Eugene V.; Slagle, Irene R.; Knyazev, Vadim D.
  • The Journal of Physical Chemistry A, Vol. 107, Issue 42
  • DOI: 10.1021/jp035648n

Dissociation of C3H3I and rates for C3H3 combination at high temperatures
journal, January 2011

  • Tranter, Robert S.; Yang, Xueliang; Kiefer, John H.
  • Proceedings of the Combustion Institute, Vol. 33, Issue 1
  • DOI: 10.1016/j.proci.2010.05.030

From the Multiple-Well Master Equation to Phenomenological Rate Coefficients:  Reactions on a C 3 H 4 Potential Energy Surface
journal, April 2003

  • Miller, James A.; Klippenstein, Stephen J.
  • The Journal of Physical Chemistry A, Vol. 107, Issue 15
  • DOI: 10.1021/jp0221082

On the Combination Reactions of Hydrogen Atoms with Resonance-Stabilized Hydrocarbon Radicals
journal, May 2007

  • Harding, Lawrence B.; Klippenstein, Stephen J.; Georgievskii, Yuri
  • The Journal of Physical Chemistry A, Vol. 111, Issue 19
  • DOI: 10.1021/jp0682309

Photodissociation Dynamics of Propyne and Allene:  A View from ab Initio Calculations of the C 3 H n ( n = 1−4) Species and the Isomerization Mechanism for C 3 H 2
journal, June 1998

  • Mebel, A. M.; Jackson, W. M.; Chang, A. H. H.
  • Journal of the American Chemical Society, Vol. 120, Issue 23
  • DOI: 10.1021/ja9727169

A shock tube, laser-schlieren study of the pyrolysis of isobutene: Relaxation, incubation, and dissociation rates
journal, January 2003

  • Santhanam, S.; Kiefer, J. H.; Tranter, R. S.
  • International Journal of Chemical Kinetics, Vol. 35, Issue 8
  • DOI: 10.1002/kin.10139

A Shock-Tube, Laser-Schlieren Study of the Dissociation of 1,1,1-Trifluoroethane:  An Intrinsic Non-RRKM Process
journal, April 2004

  • Kiefer, J. H.; Katopodis, C.; Santhanam, S.
  • The Journal of Physical Chemistry A, Vol. 108, Issue 13
  • DOI: 10.1021/jp036282h

Dissociation of ortho -benzyne radicals in the high temperature fall-off regime
journal, January 2015

  • Lynch, Patrick T.; Annesley, Christopher J.; Tranter, Robert S.
  • Proceedings of the Combustion Institute, Vol. 35, Issue 1
  • DOI: 10.1016/j.proci.2014.05.049

Single Pulse Shock Tube Study of Allyl Radical Recombination
journal, May 2013

  • Fridlyand, Aleksandr; Lynch, Patrick T.; Tranter, Robert S.
  • The Journal of Physical Chemistry A, Vol. 117, Issue 23
  • DOI: 10.1021/jp402391n

Works referencing / citing this record:

A modular, multi-diagnostic, automated shock tube for gas-phase chemistry
journal, June 2019

  • Fuller, Mark E.; Skowron, Mal; Tranter, Robert S.
  • Review of Scientific Instruments, Vol. 90, Issue 6
  • DOI: 10.1063/1.5095077