Addition and dissociation reaction H + CO in equilibrium HCO. 2. Experimental studies and comparison with theory

Journal Article · Thu Sep 24 04:00:00 EDT 1987 · J. Phys. Chem.; (United States)

DOI:https://doi.org/10.1021/j100304a037· OSTI ID:5527888

Timonen, R S; Ratajczak, E; Gutman, D; Wagner, A F

Directly measured low-pressure thermal HCO dissociation rate constants and isotope effect are presented for the first time. The temperature range of the measurements is 637-832 K. A theoretical model developed in the preceding paper is found to be highly consistent with these results and with all available H + CO thermal addition rate constant measurements. The calculations are used to extend the measured dissociation rate constant to combustion temperatures. The calculated low-pressure dissociation rate constant k/sub 1/ in various buffer gases is accurately represented from 300 to 3000 K by k/sub 1/(Ar) = 3.09 x 10/sup -7/T/sup -1/e/sup -17.0/RT/, k/sub 1/(He) = 3.80 x 10/sup -7/T/sup -1/e/sup -17.1/RT/, k/sub 1/(N/sub 2/) = 3.07 x 10/sup -7/T/sup -1/e/sup -17.0/RT/, and k/sub 1/(H/sub 2/) = 5.79 x 10/sup -7/T/sup -1/e/sup -17.0/RT/, where k/sub 1/ is in cm/sup 3//(molecule s) and R is in kcal/(mol deg). The calculations suggest that (..delta..E)/sub tot/, the average energy transfer between metastable HCO* and the buffer gas, varies between -40 and -50 cm/sup -1/ for buffer gases N/sub 7/, H/sub 2/, He, and Ar.

• Research Organization: Illinois Institute of Technology, Chicago
• DOE Contract Number: AC02-78ER14945
• OSTI ID: 5527888
• Journal Information: J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 91:201; ISSN JPCHA
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
400202 -- Isotope Effects
Isotope Exchange
& Isotope Separation
CARBON COMPOUNDS
CARBON MONOXIDE
CARBON OXIDES
CHALCOGENIDES
CHEMICAL REACTIONS
DATA
DEUTERIUM
DEUTERIUM COMPOUNDS
DISSOCIATION
DISSOCIATION ENERGY
ELEMENTS
ENERGY
ENERGY TRANSFER
EXPERIMENTAL DATA
FLUIDS
GASES
HIGH TEMPERATURE
HYDROGEN
HYDROGEN COMPOUNDS
HYDROGEN ISOTOPES
INFORMATION
ISOTOPE EFFECTS
ISOTOPES
LIGHT NUCLEI
NONMETALS
NUCLEI
NUMERICAL DATA
ODD-ODD NUCLEI
OXIDES
OXYGEN COMPOUNDS
STABLE ISOTOPES