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

Journal Article · Thu Apr 19 00:00:00 EDT 1990 · Journal of Physical Chemistry; (USA)

DOI:https://doi.org/10.1021/j100371a022· OSTI ID:6902675

Michael, J V; Fisher, J R ^[1]

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1. 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-31-109-ENG-38
• OSTI ID: 6902675
• Journal Information: Journal of Physical Chemistry; (USA), Vol. 94:8; ISSN 0022-3654
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
DEUTERIUM
CHEMICAL REACTION KINETICS
HYDROGEN
DATA ANALYSIS
EXPERIMENTAL DATA
MEASURING INSTRUMENTS
MEASURING METHODS
PHOTOLYSIS
SHOCK TUBES
THEORETICAL DATA
CHEMICAL REACTIONS
DATA
DECOMPOSITION
ELEMENTS
HYDROGEN ISOTOPES
INFORMATION
ISOTOPES
KINETICS
LIGHT NUCLEI
NONMETALS
NUCLEI
NUMERICAL DATA
ODD-ODD NUCLEI
PHOTOCHEMICAL REACTIONS
REACTION KINETICS
STABLE ISOTOPES
400200* - Inorganic
Organic
& Physical Chemistry