Rice-Ramsperger-Kassel-Marcus theoretical prediction of high-pressure arrhenius parameters by nonlinear regression: application to silane and disilane decomposition
Arrhenius parameters are estimated for silane and disilane thermal decomposition reactions by direct regression of RRKM predictions on published static and shock-tube data. For silane decomposition, they find E/sub infinity/ = 57.4-61.1 kcal/mol and log A/sub infinity/ = 14.9-16.3, while for disilane they find E/sub infinity/ = 51.1-52.5 kcal/mol and log A/sub infinity/ = 15.2-16.2. The lower limiting values correspond to inclusion of negative temperature dependence in the collision efficiency, while the higher values correspond to inclusion of weak or negligible temperature dependence. The Arrhenium parameters for both silane and disilane decomposition differ substantially from previously published values. For silane, they predict preexponentials approximately an order of magnitude greater than the previous values for the same activation energy. For disilane, they find A/sub infinity/ is roughly an order of magnitude higher than the literature values and E/sub infinity/ is greater by more than 2 kcal/mol. Falloff curves for both silane and disilane decomposition are given. Implications of these results for the activation energy of SiH/sub 2/ insertion into H/sub 2/ and SiH/sub 4/ and for ..delta..H/sub f//sup 0/(SiH/sub 2/) are discussed.
- Research Organization:
- Univ. of Minnesota, Minneapolis
- OSTI ID:
- 5678410
- Journal Information:
- J. Phys. Chem.; (United States), Journal Name: J. Phys. Chem.; (United States) Vol. 91:22; ISSN JPCHA
- Country of Publication:
- United States
- Language:
- English
Similar Records
Determination of the arrhenius parameters for Si{sub 2}H{sub 6} {l_reversible} SiH{sub 4} + SiH{sub 2} and {Delta}H{degrees} {sub f}(SiH{sub 2}) by RRKM analysis of forward and reverse reaction rate data
Gas-phase reaction study of disilane pyrolysis: Applications to low pressure chemical vapor deposition
Related Subjects
400201* -- Chemical & Physicochemical Properties
ARRHENIUS EQUATION
CHEMICAL REACTIONS
DATA
DECOMPOSITION
ENERGY TRANSFER
EQUATIONS
HIGH PRESSURE
HYDRIDES
HYDROGEN COMPOUNDS
INFORMATION
MATHEMATICAL MODELS
MATHEMATICS
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC SILICON COMPOUNDS
PHYSICAL PROPERTIES
REGRESSION ANALYSIS
SHOCK TUBES
SILANES
SILICON COMPOUNDS
STATISTICS
TEMPERATURE DEPENDENCE
THEORETICAL DATA
THERMODYNAMIC PROPERTIES
THERMODYNAMICS