Kinetics Database Resources
Rate Our Products and Services
Other Databases
NIST Standard Reference Data Program
NDRL-NIST Solution Kinetics Database
NIST Computational Chemistry Comparison and Benchmark Database
The NIST Reference on Constants, Units, and Uncertainty
Administrative Links
 |
Home ©NIST, 2013 Accessibility information |
Title: Kinetics and Mechanism for the Thermal Chlorination of Chloroform in the Gas Phase: Inclusion of HCl Elimination from CHCl3
Journal: Int. J. Chem. Kinet.
Volume: 35
Page(s): 647 - 660
Year: 2003
Reference type: Journal article
Squib: 2003ZHU/BOZ647-660
Reaction:
CHCl3 + Cl2 → Products
Rate expression:
no rate data available
Category: Theory
Data type:
Data too complex to abstract
Comments:
The authors have added 30 reversible reactions to a 10-step chemical kinetic model of chloroform chlorination published previously (Huybrechts, G.; Hubin, Y.; Van Mele, B. Int J Chem Kinet 2000, 32, 466). The present model provides a good fit to the experimental data of Huybrechts et al. for [Cl2] decay, unless the recently published* abstraction reaction 1CCl2 + Cl2 = CCl3 + Cl is included in the mechanism.
*Kostina, S. A.; Shestov, A. A.; Knyazev, V. D. In Proceedings of the 3rd Joint Meeting of the U.S. Section of the Combustion Institute, Chicago, March 16?9, 2003.
The authors have additionally calculated the rate of the reaction CHCl3 = 1CCl2 + HCl and estimated k as a function of pressure and temperature using QRRK-master equation analysis. Their calculated results are in agreement with data from previous experimental studies.
View full bibliographic record.