Reactions of SO₃ with the O/H Radical Pool under Combustion Conditions

PDF Version Also Available for Download.

Description

Article on reactions of SO₃ with the O/H radical pool under combustion conditions.

Physical Description

8 p.

Creation Information

Hindiyarti, Lusi; Glarborg, Peter & Marshall, Paul March 9, 2007.

Context

This article is part of the collection entitled: UNT Scholarly Works and was provided by UNT College of Arts and Sciences to Digital Library, a digital repository hosted by the UNT Libraries. It has been viewed 191 times , with 4 in the last month . More information about this article can be viewed below.

Who

People and organizations associated with either the creation of this article or its content.

Authors

Publisher

Provided By

UNT College of Arts and Sciences

The UNT College of Arts and Sciences educates students in traditional liberal arts, performing arts, sciences, professional, and technical academic programs. In addition to its departments, the college includes academic centers, institutes, programs, and offices providing diverse courses of study.

Contact Us

What

Descriptive information to help identify this article. Follow the links below to find similar items on the Digital Library.

Degree Information

Description

Article on reactions of SO₃ with the O/H radical pool under combustion conditions.

Physical Description

8 p.

Notes

Abstract: The reactions of SO₃ with H, O, and OH radicals have been investigated by ab initio calculations. For the SO₃ + H reaction (1), the lowest energy pathway involves initial formation of HSO₃ and rearrangement to HOSO₂, followed by dissociation to OH + SO₂. The reaction is fast, with k1 = 8.4 × 109T1.22 exp(−13.9 kJ mol-1/RT) cm3 mol-1 s-1 (700−2000 K). The SO₃ + O → SO₂ + O₂ reaction (2) may proceed on both the triplet and singlet surfaces, but due to a high barrier the reaction is predicted to be slow. The rate constant can be described as k₂ = 2.8 × 104T2.57 exp(−122.3 kJ mol-1/RT) cm³ mol-1 s-1 for T > 1000 K. The SO₃ + OH reaction to form SO₂ + HO₂ (3) proceeds by direct abstraction but is comparatively slow, with k₃ = 4.8 × 104T2.46 exp(−114.1 kJ mol- 1/RT) cm3 mol-1 s-1 (800−2000 K). The revised rate constants and detailed reaction mechanism are consistent with experimental data from batch reactors, flow reactors, and laminar flames on oxidation of SO₂ to SO₃. The SO₃ + O reaction is found to be insignificant during most conditions of interest; even in lean flames, SO₃ + H is the major consumption reaction for SO₃.

Reprinted with permission from the Journal of Physical Chemistry A. Copyright 2007 American Chemical Society.

Source

  • Journal of Physical Chemistry A, 2007, Washington D.C.: American Chemical Society, pp. 3984-3991

Language

Item Type

Identifier

Unique identifying numbers for this article in the Digital Library or other systems.

Publication Information

  • Publication Title: Journal of Physical Chemistry A
  • Volume: 111
  • Issue: 19
  • Page Start: 3984
  • Page End: 3991
  • Pages: 8
  • Peer Reviewed: Yes

Collections

This article is part of the following collection of related materials.

UNT Scholarly Works

Materials from the UNT community's research, creative, and scholarly activities and UNT's Open Access Repository. Access to some items in this collection may be restricted.

What responsibilities do I have when using this article?

When

Dates and time periods associated with this article.

Creation Date

  • March 9, 2007

Added to The UNT Digital Library

  • Feb. 6, 2015, 9:38 a.m.

Description Last Updated

  • Feb. 21, 2015, 9:11 a.m.

Usage Statistics

When was this article last used?

Yesterday: 0
Past 30 days: 4
Total Uses: 191

Interact With This Article

Here are some suggestions for what to do next.

Start Reading

PDF Version Also Available for Download.

International Image Interoperability Framework

IIF Logo

We support the IIIF Presentation API

Hindiyarti, Lusi; Glarborg, Peter & Marshall, Paul. Reactions of SO₃ with the O/H Radical Pool under Combustion Conditions, article, March 9, 2007; [Washington, D.C.]. (digital.library.unt.edu/ark:/67531/metadc499072/: accessed July 18, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.