| Main Title |
Transition-State-Theory Calculations for Reactions of OH with Haloalkanes. |
| Author |
Cohen, N. ;
Benson, S. W. ;
|
| CORP Author |
Aerospace Corp., Los Angeles, CA. ;University of Southern California, Los Angeles. Loker Hydrocarbon Research Inst.;Environmental Protection Agency, Research Triangle Park, NC. Atmospheric Sciences Research Lab. |
| Year Published |
1987 |
| Report Number |
EPA-R-810705; EPA/600/J-87/178; |
| Stock Number |
PB88-159652 |
| Additional Subjects |
Haloalkanes ;
Molecular vibration ;
Activation energy ;
Chemical reactions ;
Reprints ;
Hydroxyl radicals ;
Chemical reaction kinetics
|
| Holdings |
| Library |
Call Number |
Additional Info |
Location |
Last
Modified |
Checkout
Status |
| NTIS |
PB88-159652 |
Some EPA libraries have a fiche copy filed under the call number shown. |
|
07/26/2022 |
|
| Collation |
12p |
| Abstract |
A method previously used for extrapolating rate coefficients for reactions of OH radicals with alkanes and of 0 atoms with alkanes using conventional transition state theory is applied to reactions of OH radicals with ten halomethanes. Particular attention is given to the problem of estimating the vibrational frequencies in the activated complexes. Values of the entropy of activation for each reaction are calculated, which, together with the experimental values of k(298), are used to calculate k(T) at higher temperatures. The calculated values differ from experimental values by no more than 25%. |
| Supplementary Notes |
Pub. in Jnl. of Physical Chemistry, v91 n1 p162-170 Jan 87. Prepared in cooperation with University of Southern California, Los Angeles. Loker Hydrocarbon Research Inst. Sponsored by Environmental Protection Agency, Research Triangle Park, NC. Atmospheric Sciences Research Lab. |
| NTIS Title Notes |
Journal article. |
| Title Annotations |
Reprint: Transition-State-Theory Calculations for Reactions of OH with Haloalkanes. |
| PUB Date Free Form |
c1987 |
| Category Codes |
99F |
| NTIS Prices |
PC A03/MF A01 |
| Primary Description |
600/09 |
| Document Type |
NT |
| Cataloging Source |
NTIS/MT |
| Control Number |
809820324 |
| Origin |
NTIS |
| Type |
CAT |
