Using the Wolfsberg--Schactschneider program to calculate equilibrium constants for isotopic acetylenes. [C/sub 2/H/sub 2/ + C/sub 2/D/sub 2/. -->. 2C/sub 2/HD; C/sub 2/H/sub 2/ + D/sub 2/O. -->. C/sub 2/D/sub 2/ + H/sub 2/O; 40 to 2,000/sup 0/K]
Equilibrium constants were calculated for the gas-phase isotopic exchange reactions C/sub 2/H/sub 2/ + C/sub 2/D/sub 2/ = 2C/sub 2/ HD and C/sub 2/H/sub 2/ + D/sub 2/O = C/sub 2/D/sub 2/ + H/sub 2/O at temperatures ranging from 40 to 2000/sup 0/K. No corrections to the harmonic approximation were made. The results agree quite well with experimental measurements.
- Research Organization:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 7310327
- Report Number(s):
- UCRL-52210; TRN: 77-009239
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ACETYLENE
CHEMICAL REACTION KINETICS
DEUTERIUM
ISOTOPIC EXCHANGE
HEAVY WATER
DEUTERIUM COMPOUNDS
EQUILIBRIUM
HIGH TEMPERATURE
LOW TEMPERATURE
MEDIUM TEMPERATURE
TEMPERATURE DEPENDENCE
VERY HIGH TEMPERATURE
VERY LOW TEMPERATURE
VIBRATIONAL STATES
ALKYNES
ENERGY LEVELS
EXCITED STATES
HYDROCARBONS
HYDROGEN COMPOUNDS
HYDROGEN ISOTOPES
ISOTOPES
KINETICS
LIGHT NUCLEI
NUCLEI
ODD-ODD NUCLEI
ORGANIC COMPOUNDS
OXYGEN COMPOUNDS
REACTION KINETICS
STABLE ISOTOPES
WATER
400303* - Organic Chemistry- Isotope Exchange & Isotope Separation- (-1987)
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ACETYLENE
CHEMICAL REACTION KINETICS
DEUTERIUM
ISOTOPIC EXCHANGE
HEAVY WATER
DEUTERIUM COMPOUNDS
EQUILIBRIUM
HIGH TEMPERATURE
LOW TEMPERATURE
MEDIUM TEMPERATURE
TEMPERATURE DEPENDENCE
VERY HIGH TEMPERATURE
VERY LOW TEMPERATURE
VIBRATIONAL STATES
ALKYNES
ENERGY LEVELS
EXCITED STATES
HYDROCARBONS
HYDROGEN COMPOUNDS
HYDROGEN ISOTOPES
ISOTOPES
KINETICS
LIGHT NUCLEI
NUCLEI
ODD-ODD NUCLEI
ORGANIC COMPOUNDS
OXYGEN COMPOUNDS
REACTION KINETICS
STABLE ISOTOPES
WATER
400303* - Organic Chemistry- Isotope Exchange & Isotope Separation- (-1987)