Temperature dependence of the activation energy: D+H/sub 2/
Journal Article
·
· J. Chem. Phys.; (United States)
OSTI ID:5590203
Rate constants and activation energies are calculated for D+H/sub 2/..-->..DH+H over the temperature range 444--2400 K by trajectory calculations and over the temperature range 300--2400 K by improved canonical variatonal theory with small-curvature-approximation semiclassical adiabatic ground-state transmission coefficients. Both calculations use the most accurate available potential energy surface. The results are compared to each other results for this system and for H+H/sub 2/..mu..H/sub 2/+H.
- Research Organization:
- Univ. of California, Los Alamos, NM
- OSTI ID:
- 5590203
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 76:5; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
Similar Records
Quasiclassical trajectory (and variational transition state theory) study of the rates and temperature-dependent activation energies of the reactions Mu+H/sub 2/ (completely thermal) and H, D, and Mu+H/sub 2/ (v = 0, j = 2)
Dynamical calculation of the temperature dependence of the activation energy for a chemical reaction from 444 to 2400 K
Test of variational transition state theory with a large-curvature tunneling approximation against accurate quantal reaction probabilities and rate coefficients for three collinear reactions with large reaction-path curvature: Cl+HCl, Cl+DCl, and Cl+MuCl
Journal Article
·
Mon Feb 28 23:00:00 EST 1983
· J. Chem. Phys.; (United States)
·
OSTI ID:6532231
Dynamical calculation of the temperature dependence of the activation energy for a chemical reaction from 444 to 2400 K
Journal Article
·
Thu Apr 30 00:00:00 EDT 1981
· J. Phys. Chem.; (United States)
·
OSTI ID:6395750
Test of variational transition state theory with a large-curvature tunneling approximation against accurate quantal reaction probabilities and rate coefficients for three collinear reactions with large reaction-path curvature: Cl+HCl, Cl+DCl, and Cl+MuCl
Journal Article
·
Sun May 15 00:00:00 EDT 1983
· J. Chem. Phys.; (United States)
·
OSTI ID:6313654
Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
ACTIVATION ENERGY
CHEMICAL REACTION KINETICS
DEUTERIUM
ELEMENTS
ENERGY
HIGH TEMPERATURE
HYDROGEN
HYDROGEN ISOTOPES
ISOTOPES
KINETICS
LIGHT NUCLEI
NONMETALS
NUCLEI
ODD-ODD NUCLEI
REACTION KINETICS
STABLE ISOTOPES
TEMPERATURE DEPENDENCE
VERY HIGH TEMPERATURE
400201* -- Chemical & Physicochemical Properties
ACTIVATION ENERGY
CHEMICAL REACTION KINETICS
DEUTERIUM
ELEMENTS
ENERGY
HIGH TEMPERATURE
HYDROGEN
HYDROGEN ISOTOPES
ISOTOPES
KINETICS
LIGHT NUCLEI
NONMETALS
NUCLEI
ODD-ODD NUCLEI
REACTION KINETICS
STABLE ISOTOPES
TEMPERATURE DEPENDENCE
VERY HIGH TEMPERATURE