Kinetics of Formic Acid at High Pressure and Temperature* [electronic resource].
- Washington, D.C. : United States. Dept. of Energy, 2003. and Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
- Physical Description:
- PDF-file: 3 pages; size: 24.3 Kbytes
- Additional Creators:
- Lawrence Berkeley National Laboratory, United States. Department of Energy, and United States. Department of Energy. Office of Scientific and Technical Information
- Restrictions on Access:
- Free-to-read Unrestricted online access
- We have developed a detailed kinetic model to follow the decomposition of formic acid at modestly high pressures (1-10 GPa) and temperature (500-1000K) and further include our refinement of a fluid exponential-6 equation of state for formic acid and corresponding reaction species. We also include the effects of bimolecular and water catalyzed reactions, calculated from ab initio molecular orbital calculations. We present a comparison between our simulations and experimental observations made using near- near-simultaneous high-pressure FTIR and Raman spectroscopy. We discuss, in detail, the simultaneous implications our experimental observations provide in relation to computed reaction timescales and dominant species employed in our model.
- Published through SciTech Connect., 11/18/2003., "ucrl-conf-201055", Presented at: American Physical Society March Meeting, Montreal, Canada, Mar 22 - Mar 26, 2004., and Howard, W M; Goncharov, A F; Zaug, J M; Fried, L E; Melius, C F; Montgonery, W B.
- Funding Information:
View MARC record | catkey: 14393286