Rate constants for the reaction D + H sub 2 yields HD + H, over the temperature range 655-1979 K, by the flash photolysis-shock tube technique
- Argonne National Lab., IL (USA)
Thermal rate constants measured by the flash photolysis-shock tube (FP-ST) technique are reported for the reaction D + H{sub 2} {yields} HD + H, over the temperature range 655-1979 K. D-atom concentration has been monitored by atomic resonance absorption spectroscopy (aras). The results can be represented by the Arrhenius expression k{sub 1} = (3.76 {plus minus} 0.31) {plus minus} {times} 10{sup {minus}10} exp({minus}4,985 {plus minus} 80 K/T) cm{sup 3} molecule{sup {minus}1} s{sup {minus}1}, to within {plus minus} 28% over the temperature range. The experimental results are then compared to theoretical calculations that utilize ab initio potential energy surfaces that are presumably the most exact that have ever been determined.
- DOE Contract Number:
- W-31109-ENG-38
- OSTI ID:
- 6902675
- Journal Information:
- Journal of Physical Chemistry; (USA), Journal Name: Journal of Physical Chemistry; (USA) Vol. 94:8; ISSN 0022-3654; ISSN JPCHA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
400200* -- Inorganic
Organic
& Physical Chemistry
CHEMICAL REACTION KINETICS
CHEMICAL REACTIONS
DATA
DATA ANALYSIS
DECOMPOSITION
DEUTERIUM
ELEMENTS
EXPERIMENTAL DATA
HYDROGEN
HYDROGEN ISOTOPES
INFORMATION
ISOTOPES
KINETICS
LIGHT NUCLEI
MEASURING INSTRUMENTS
MEASURING METHODS
NONMETALS
NUCLEI
NUMERICAL DATA
ODD-ODD NUCLEI
PHOTOCHEMICAL REACTIONS
PHOTOLYSIS
REACTION KINETICS
SHOCK TUBES
STABLE ISOTOPES
THEORETICAL DATA