Kinetic and Mechanistic Studies of the Reaction of Hydroxyl Radicals with Acetaldehyde over an Extended Temperature Range

Thumbnail image of item number 1 in: 'Kinetic and Mechanistic Studies of the Reaction of Hydroxyl Radicals with Acetaldehyde over an Extended Temperature Range'.
Thumbnail image of item number 2 in: 'Kinetic and Mechanistic Studies of the Reaction of Hydroxyl Radicals with Acetaldehyde over an Extended Temperature Range'.
Thumbnail image of item number 3 in: 'Kinetic and Mechanistic Studies of the Reaction of Hydroxyl Radicals with Acetaldehyde over an Extended Temperature Range'.
Thumbnail image of item number 4 in: 'Kinetic and Mechanistic Studies of the Reaction of Hydroxyl Radicals with Acetaldehyde over an Extended Temperature Range'.
Showing 1-4 of 21 pages in this article.

PDF Version Also Available for Download.

Description

This article discusses kinetic and mechanistic studies of the reaction of hydroxyl radicals with acetaldehyde over an extended temperature range.

Physical Description

21 p.

Creation Information

Taylor, Philip H.; Rahman, S.M. Mahbubur; Arif, Muhammad; Dellinger, Berry & Marshall, Paul 1996.

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 29 times , with 6 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.

About | Browse this Partner

Contact Us

Corrections Questions

What

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

Degree Information

Description

This article discusses kinetic and mechanistic studies of the reaction of hydroxyl radicals with acetaldehyde over an extended temperature range.

Physical Description

21 p.

Notes

Abstract: Absolute rate coefficients for the reactions of OH with CH3CHO, CH3CDO, and CD3CDO were measured with the laser photolysis/laser-induced fluorescence technique. A large majority of the kinetic data were obtained at 740 torr of helium pressure over the temperature range 295–900 K. Measurements below 600 K exhibited a negative temperature dependence, whereas measurements above 600 K exhibited a positive temperature dependence. The atmospheric pressure rate data for CH3CHO were well described by the following Arrhenius expressions (in units of cm3/mol/s): k295–550 K=(4.31±0.22)×10−12exp[(309±19)/T k600–900 K=(1.89±0.26)×10−11 exp[(−.597±108)/T CH3CHO+OH measurements at 100-, 300-, 400- and 740-torr helium pressure indicated the lack of a pressure dependence. Possible reaction pathways were evaluated with a quantum RRK model incorporating nonempirical electronic structure calculations on the reactants and transition-state structures. Two different reaction mechanisms were shown to dominate, depending on the temperature. A mechanism involving OH addition followed by CH3 elimination was dominant at low temperatures. A mechanism involving H-atom abstraction from the CH3 group was dominant at elevated temperatures. Evidence is also presented for H-atom abstraction from the acetyl (CHO) group at low temperatures. Kinetic isotope effect measurements using CH3CDO and CD3CDO support the proposed mechanisms.

Source

  • Proceedings of the International Symposium on Combustion, 1996, Naples, Italy

Language

Item Type

Identifier

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

Publication Information

  • Publication Title: Proceedings of the International Symposium on Combustion
  • Volume: 26
  • Issue: 1
  • Page Start: 497
  • Page End: 504
  • 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.

About | Browse this Collection

What responsibilities do I have when using this article?

Digital Files

When

Dates and time periods associated with this article.

Creation Date

  • 1996

Added to The UNT Digital Library

  • Oct. 2, 2015, 9:40 a.m.

Usage Statistics

When was this article last used?

Yesterday: 0
Past 30 days: 6
Total Uses: 29
More Statistics

Interact With This Article

Here are some suggestions for what to do next.

Start Reading

Thumbnail image of item number 1 in: 'Kinetic and Mechanistic Studies of the Reaction of Hydroxyl Radicals with Acetaldehyde over an Extended Temperature Range'.
Thumbnail image of item number 2 in: 'Kinetic and Mechanistic Studies of the Reaction of Hydroxyl Radicals with Acetaldehyde over an Extended Temperature Range'.
Thumbnail image of item number 3 in: 'Kinetic and Mechanistic Studies of the Reaction of Hydroxyl Radicals with Acetaldehyde over an Extended Temperature Range'.
Thumbnail image of item number 4 in: 'Kinetic and Mechanistic Studies of the Reaction of Hydroxyl Radicals with Acetaldehyde over an Extended Temperature Range'.

PDF Version Also Available for Download.

Citations, Rights, Re-Use

Taylor, Philip H.; Rahman, S.M. Mahbubur; Arif, Muhammad; Dellinger, Berry & Marshall, Paul. Kinetic and Mechanistic Studies of the Reaction of Hydroxyl Radicals with Acetaldehyde over an Extended Temperature Range, article, 1996; [Amsterdam, Netherlands]. (digital.library.unt.edu/ark:/67531/metadc725778/: accessed April 20, 2018), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT College of Arts and Sciences.