Kinetics of Formic Acid at High Pressure and Temperature* [electronic resource]
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 th...
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Online Access (via OSTI) |
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| Format: | Government Document Electronic eBook |
| Language: | English |
| Published: |
Washington, D.C. : Oak Ridge, Tenn. :
United States. Department of Energy. ; distributed by the Office of Scientific and Technical Information, U.S. Department of Energy,
2003.
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| Subjects: |
MARC
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| 245 | 0 | 0 | |a Kinetics of Formic Acid at High Pressure and Temperature* |h [electronic resource] |
| 260 | |a Washington, D.C. : |b United States. Department of Energy. ; |a Oak Ridge, Tenn. : |b distributed by the Office of Scientific and Technical Information, U.S. Department of Energy, |c 2003. | ||
| 300 | |a PDF-file: 3 pages; size: 24.3 Kbytes. | ||
| 336 | |a text |b txt |2 rdacontent. | ||
| 337 | |a computer |b c |2 rdamedia. | ||
| 338 | |a online resource |b cr |2 rdacarrier. | ||
| 500 | |a Published through SciTech Connect. | ||
| 500 | |a 11/18/2003. | ||
| 500 | |a "ucrl-conf-201055" | ||
| 500 | |a Presented at: American Physical Society March Meeting, Montreal, Canada, Mar 22 - Mar 26, 2004. | ||
| 500 | |a Montgonery, W B; Melius, C F; Goncharov, A F; Zaug, J M; Fried, L E; Howard, W M. | ||
| 520 | 3 | |a 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. | |
| 536 | |b W-7405-ENG-48. | ||
| 650 | 7 | |a Formic Acid. |2 local. | |
| 650 | 7 | |a Kinetics. |2 local. | |
| 650 | 7 | |a Raman Spectroscopy. |2 local. | |
| 650 | 7 | |a Water. |2 local. | |
| 650 | 7 | |a Materials Science. |2 edbsc. | |
| 650 | 7 | |a Inorganic, Organic, Physical And Analytical Chemistry. |2 edbsc. | |
| 710 | 2 | |a Lawrence Berkeley National Laboratory. |4 res. | |
| 710 | 1 | |a United States. |b Department of Energy. |4 spn. | |
| 710 | 1 | |a United States. |b Department of Energy. |b Office of Scientific and Technical Information. |4 dst. | |
| 856 | 4 | 0 | |u http://www.osti.gov/scitech/biblio/15013683 |z Online Access (via OSTI) |
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| 952 | f | f | |p Can circulate |a University of Colorado Boulder |b Online |c Online |d Online |e E 1.99:ucrl-conf-201055 |h Superintendent of Documents classification |i web |n 1 |