A shock tube study on the pyrolysis of 1,4-dioxane

X. Yang; A. W. Jasper; B. R. Giri; J. H. Kiefer; R. S. Tranter

A shock tube study on the pyrolysis of 1,4-dioxane

X. Yang, A. W. Jasper, B. R. Giri, J. H. Kiefer, R. S. Tranter^*

^*Corresponding author for this work

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Abstract

The dissociation of 2% 1,4-dioxane dilute in krypton was studied in a shock tube, ST, using laser schlieren densitometry, LS, at 1550-2100 K and 123±2 Torr. Products were identified by ST/time-of-flight mass spectrometry. 1,4-dioxane was found to initially dissociate via C-O bond fission followed by a 2,6 H-atom transfer to the O atom at the scission site. Simulations of the LS profiles with a 72 reaction mechanism gave excellent agreement. Rate coefficients for the initial dissociation yielded k_1,123Torr(T) = (2.10 ± 0.30) × 10⁸ × exp(-15006/T) s^-1. Optimization of the simulations yielded k₃₇ = (2.25 ± 0.60) × 10³ ×T³ × exp(860/T) cm³mol^-1s^-1 for H-abstraction from 1,4-dioxane by OH radicals.

Original language	English (US)
Title of host publication	Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 Fall Meeting
Publisher	Western States Section/Combustion Institute
Pages	813-826
Number of pages	14
ISBN (Electronic)	9781615676507
State	Published - 2009
Externally published	Yes
Event	Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 - Irvine, United States Duration: Oct 26 2009 → Oct 27 2009

Publication series

Name	Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 Fall Meeting
Volume	2

Other

Other	Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009
Country/Territory	United States
City	Irvine
Period	10/26/09 → 10/27/09

ASJC Scopus subject areas

General Chemical Engineering
Physical and Theoretical Chemistry
Mechanical Engineering

Cite this

Yang, X., Jasper, A. W., Giri, B. R., Kiefer, J. H., & Tranter, R. S. (2009). A shock tube study on the pyrolysis of 1,4-dioxane. In Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 Fall Meeting (pp. 813-826). (Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 Fall Meeting; Vol. 2). Western States Section/Combustion Institute.

Yang, X. ; Jasper, A. W. ; Giri, B. R. et al. / A shock tube study on the pyrolysis of 1,4-dioxane. Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 Fall Meeting. Western States Section/Combustion Institute, 2009. pp. 813-826 (Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 Fall Meeting).

@inproceedings{3882cdbaf9564af19df205e9dce4fea7,

title = "A shock tube study on the pyrolysis of 1,4-dioxane",

abstract = "The dissociation of 2% 1,4-dioxane dilute in krypton was studied in a shock tube, ST, using laser schlieren densitometry, LS, at 1550-2100 K and 123±2 Torr. Products were identified by ST/time-of-flight mass spectrometry. 1,4-dioxane was found to initially dissociate via C-O bond fission followed by a 2,6 H-atom transfer to the O atom at the scission site. Simulations of the LS profiles with a 72 reaction mechanism gave excellent agreement. Rate coefficients for the initial dissociation yielded k1,123Torr(T) = (2.10 ± 0.30) × 108 × exp(-15006/T) s-1. Optimization of the simulations yielded k37 = (2.25 ± 0.60) × 103 ×T3 × exp(860/T) cm3mol-1s-1 for H-abstraction from 1,4-dioxane by OH radicals.",

author = "X. Yang and Jasper, {A. W.} and Giri, {B. R.} and Kiefer, {J. H.} and Tranter, {R. S.}",

year = "2009",

language = "English (US)",

series = "Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 Fall Meeting",

publisher = "Western States Section/Combustion Institute",

pages = "813--826",

booktitle = "Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 Fall Meeting",

note = "Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 ; Conference date: 26-10-2009 Through 27-10-2009",

}

Yang, X, Jasper, AW, Giri, BR, Kiefer, JH & Tranter, RS 2009, A shock tube study on the pyrolysis of 1,4-dioxane. in Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 Fall Meeting. Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 Fall Meeting, vol. 2, Western States Section/Combustion Institute, pp. 813-826, Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009, Irvine, United States, 10/26/09.

A shock tube study on the pyrolysis of 1,4-dioxane. / Yang, X.; Jasper, A. W.; Giri, B. R. et al.
Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 Fall Meeting. Western States Section/Combustion Institute, 2009. p. 813-826 (Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 Fall Meeting; Vol. 2).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

TY - GEN

T1 - A shock tube study on the pyrolysis of 1,4-dioxane

AU - Yang, X.

AU - Jasper, A. W.

AU - Giri, B. R.

AU - Kiefer, J. H.

AU - Tranter, R. S.

PY - 2009

Y1 - 2009

N2 - The dissociation of 2% 1,4-dioxane dilute in krypton was studied in a shock tube, ST, using laser schlieren densitometry, LS, at 1550-2100 K and 123±2 Torr. Products were identified by ST/time-of-flight mass spectrometry. 1,4-dioxane was found to initially dissociate via C-O bond fission followed by a 2,6 H-atom transfer to the O atom at the scission site. Simulations of the LS profiles with a 72 reaction mechanism gave excellent agreement. Rate coefficients for the initial dissociation yielded k1,123Torr(T) = (2.10 ± 0.30) × 108 × exp(-15006/T) s-1. Optimization of the simulations yielded k37 = (2.25 ± 0.60) × 103 ×T3 × exp(860/T) cm3mol-1s-1 for H-abstraction from 1,4-dioxane by OH radicals.

AB - The dissociation of 2% 1,4-dioxane dilute in krypton was studied in a shock tube, ST, using laser schlieren densitometry, LS, at 1550-2100 K and 123±2 Torr. Products were identified by ST/time-of-flight mass spectrometry. 1,4-dioxane was found to initially dissociate via C-O bond fission followed by a 2,6 H-atom transfer to the O atom at the scission site. Simulations of the LS profiles with a 72 reaction mechanism gave excellent agreement. Rate coefficients for the initial dissociation yielded k1,123Torr(T) = (2.10 ± 0.30) × 108 × exp(-15006/T) s-1. Optimization of the simulations yielded k37 = (2.25 ± 0.60) × 103 ×T3 × exp(860/T) cm3mol-1s-1 for H-abstraction from 1,4-dioxane by OH radicals.

UR - http://www.scopus.com/inward/record.url?scp=84946053788&partnerID=8YFLogxK

M3 - Conference contribution

AN - SCOPUS:84946053788

T3 - Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 Fall Meeting

SP - 813

EP - 826

BT - Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 Fall Meeting

PB - Western States Section/Combustion Institute

T2 - Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009

Y2 - 26 October 2009 through 27 October 2009

ER -

Yang X, Jasper AW, Giri BR, Kiefer JH, Tranter RS. A shock tube study on the pyrolysis of 1,4-dioxane. In Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 Fall Meeting. Western States Section/Combustion Institute. 2009. p. 813-826. (Fall Technical Meeting of the Western States Section of the Combustion Institute 2009, WSS/CI 2009 Fall Meeting).

A shock tube study on the pyrolysis of 1,4-dioxane

Abstract

Publication series

Other

ASJC Scopus subject areas

Other files and links

Fingerprint

Cite this