Accession Number : ADD095125

Title :   Semi-Empirical Extrapolation and Estimation of Rate Constants for Abstraction of H from Methane by H, O, HO, and O2,

Corporate Author : NATIONAL STANDARD REFERENCE DATA SYSTEM

Personal Author(s) : Shaw, Robert

Report Date : Jan 1978

Pagination or Media Count : 17

Abstract : It has been concluded that for extrapolating rate constants of atom transfer reactions to and from high temperatures, a useful form of the rate constant is k = AT sq exp(-C/T), where A and C are fitted constants. At all temperatures, abstraction by HO is faster than by O. It is confirmed that at 400 to 700 K, the kinetic and thermodynamic equilibrium constants for the reaction H+CH4=H2+CH3 are significantly different. (At 1340 K, they are in agreement).

Descriptors :   *REACTION KINETICS, *DEHYDROGENATION, *METHANE, *THERMOCHEMISTRY, COMBUSTION, CONSTANTS, HIGH TEMPERATURE, TRANSITIONS, EQUILIBRIUM(GENERAL), HEAT OF ACTIVATION, ENTROPY, ENTHALPY, SPECIFIC HEAT, HEAT OF FORMATION, HYDROGEN, OXYGEN, EXPERIMENTAL DATA

Subject Categories : Organic Chemistry
      Physical Chemistry

Distribution Statement : APPROVED FOR PUBLIC RELEASE