Published April 30, 1981
| Version v1
Journal article
Dynamical calculation of the temperature dependence of the activation energy for a chemical reaction from 444 to 2400 K
Description
The quasiclassical trajectory method with Monte Carlo and importance sampling and with the Tolman interpretation of the activation energy has been used to calculate the activation energy for a bimolecular reaction at three temperatures in the range 444 to 2400 K. The activation energy is found to increase by 6 kcal/mol over this range
Additional details
Publishing Information
- Journal Title
- J. Phys. Chem.
- Journal Volume
- 85
- Journal Issue
- 9
- Series
- J. Phys. Chem.
- Journal Page Range
- 1094-1096
- ISSN
- 0022-3654
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 12631859
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- ACTIVATION ENERGY; CHEMICAL REACTIONS; HIGH TEMPERATURE; NUMERICAL SOLUTION; TEMPERATURE DEPENDENCE; VERY HIGH TEMPERATURE
- Descriptors DEC
- ENERGY