Rate constants estimation for the reaction of hydrofluorocarbons and hydrofluoroethers with OH radicals

[1]  Asit K. Chandra,et al.  The C–H bond dissociation enthalpies of haloethers and its correlation with the activation energies for hydrogen abstraction by OH radical: A DFT study , 2001 .

[2]  Akira Sekiya,et al.  The potential of hydrofluoroethers to replace CFCs, HCFCs and PFCs , 2000 .

[3]  D. Marquardt An Algorithm for Least-Squares Estimation of Nonlinear Parameters , 1963 .

[4]  T. Uchimaru,et al.  A DFT Study on the C−H Bond Dissociation Enthalpies of Haloalkanes: Correlation between the Bond Dissociation Enthalpies and Activation Energies for Hydrogen Abstraction , 2000 .

[5]  T. Uchimaru,et al.  Kinetics of Hydrogen Abstraction from Chloromethanes by the Hydroxyl Radical: A Computational Study , 2000 .

[6]  S. Kutsuna,et al.  Kinetics and Mechanisms for the Reactions of CF3OCH3and CF3OC(O)H with OH Radicals Using an Environmental Reaction Chamber , 2001 .

[7]  M. Mills,et al.  Do Hydrofluorocarbons Destroy Stratospheric Ozone? , 1994, Science.

[8]  L. K. Christensen,et al.  Atmospheric Chemistry of HFE-7200 (C4F9OC2H5): Reaction with OH Radicals and Fate of C4F9OCH2CH2O(•) and C4F9OCHO(•)CH3 Radicals , 1998 .

[9]  M. G. Evans,et al.  Inertia and driving force of chemical reactions , 1938 .

[10]  S. Kondo,et al.  Rate constants for the reactions of OH radicals with CH3OCF2CHFCl, CHF2OCF2CHFCl, CHF2OCHClCF3, and CH3CH2OCF2CHF2 , 1999 .

[11]  J. Heicklen The correlation of rate coefficients for H‐atom abstraction by HO radicals with CH bond dissociation enthalpies , 1981 .

[12]  V. L. Orkin,et al.  Atmospheric lifetimes and global warming potentials of hydrofluoroethers: Reactivity toward OH, UV spectra, and IR absorption cross sections , 1999 .

[13]  S. Kondo,et al.  Rate constants for the reactions of OH radicals with CH3OCF2CF3, CH3OCF2CF2CF3, and CH3OCF(CF3)2 , 1999 .

[14]  J. S. Francisco,et al.  Computationally Efficient Methodology to Calculate C−H and C−X (X = F, Cl, and Br) Bond Dissociation Energies in Haloalkanes , 2000 .

[15]  M. Glasius,et al.  Atmospheric lifetimes, infrared spectra and degradation products of a series of hydrofluoroethers , 1998 .

[16]  S. Kondo,et al.  Rate Constants for the Reactions of OH Radicals with CH3OCF2CHF2, CHF2OCH2CF2CHF2, CHF2OCH2CF2CF3, and CF3CH2OCF2CHF2over the Temperature Range 250-430 K , 2000 .

[17]  A. Sekiya,et al.  Artificial neural network study for the estimation of the C–H bond dissociation enthalpies , 2002 .

[18]  M. Molina,et al.  Chemical kinetics and photochemical data for use in stratospheric modeling , 1985 .

[19]  W. Demore,et al.  Rate Constants for the Reactions of Hydroxyl Radical with Several Alkanes, Cycloalkanes, and Dimethyl Ether , 1999 .

[20]  J. S. Francisco,et al.  BOND DISSOCIATION ENERGIES AND HEATS OF FORMATION FOR FLUORINATED ETHERS :E143A (CH3OCF3), E134 (CHF2OCHF2), AND E125 (CF3OCHF2) , 1998 .

[21]  T. Uchimaru,et al.  Kinetics of the hydrogen abstraction reactions of 1,1‐ and 1,2‐difluoroethane with hydroxyl radical: an ab initio study , 2000 .

[22]  William F. Schneider,et al.  Atmospheric Chemistry of HFE-7100 (C4F9OCH3): Reaction with OH Radicals, UV Spectra and Kinetic Data for C4F9OCH2· and C4F9OCH2O2· Radicals, and the Atmospheric Fate of C4F9OCH2O· Radicals , 1997 .

[23]  Michael J. Kurylo,et al.  Rate constants for reactions of the hydroxyl radical with several partially fluorinated ethers , 1992 .

[24]  T. Uchimaru,et al.  Kinetics of hydrogen abstraction reactions of CF3CHO, CF2ClCHO, CFCl2CHO and CCl3CHO with OH Radicals: An ab initio study , 2001 .