Modeling the Kinetics and Mechanisms of Petroleum and Natural Gas Generation: A First Principles Approach
β Scribed by Xiao, Y.
- Book ID
- 118161300
- Publisher
- Mineralogical Society of America
- Year
- 2001
- Tongue
- English
- Weight
- 915 KB
- Volume
- 42
- Category
- Article
- ISSN
- 1529-6466
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
## Abstract Unrestricted density functional theory (BHandHLYP) calculations have been performed, using the 6β311G(d,p) basis sets, to study the gasβphase OH hydrogen abstraction reaction from methionine. The structures of the different stationary points are discussed. Ringβlike structures are found
The coupling between non-gray radiation heat transfer and convection-conduction heat transfer is studied. The spectral line weighted sum of gray gases model (SLW) is used to account for non-gray radiation properties. The aim of this work is to analyze the influence of the different approaches used w