Using ab initio HF/6-31G\*\* and MP2/6-31G\*\* calculations alternative reactions HC(OH), + HCO,H + H,O and HC(OH), + H,O + HCO,H + 2H,O are investigated and the results are compared with relevant PM3, HF/
Studying of silane thermal decomposition mechanism
β Scribed by A. A. Onischuk; V. P. Strunin; M. A. Ushakova; V. N. Panfilov
- Publisher
- John Wiley and Sons
- Year
- 1998
- Tongue
- English
- Weight
- 243 KB
- Volume
- 30
- Category
- Article
- ISSN
- 0538-8066
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β¦ Synopsis
The mechanism of silane thermal decomposition is investigated in a flow reactor. The time dependencies of silane consumption and disilane formation were compared with those parameters of solid product (aerosol particles) such as concentration, total hydrogen content in solid product, and fraction of hydrogen contained in solid product as polyhydride groups (SiH 2 ) n . Silane loss and gaseous product formation were analyzed using a mass spectrometer. The hydrogen content in solid product was analyzed by the methods of IR-spectroscopy and hydrogen evolution. Based on a simple kinetic scheme we qualitatively explained the experimental dependencies of silane conversion and disilane formation, the effective activation energy of the decomposition process, and the amount of polyhydride groups in the solid product on reaction time and initial silane concentration.
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