Table C.1
Enthalpies of the surface species considered in this work that are used to calculate the exoergicities of the surface reactions.
| Num | Species | Enthalpy (kJ/mol) | Reference |
|
|
|||
| 1 | C | 716.7 | NIST Webbook |
| 2 | CH | 594.1 | BM02, p238 |
| 3 | CH2 | 386.4 | BM02, p240 |
| 4 | CH3 | 145.7 | BM02, p241 |
| 5 | CH3O | 17.0 | NIST Webbook |
| 6 | CH2OH | –9.0 | NIST Webbook |
| 7 | CH3OH | –201.2 | BM02, p241 |
| 8 | CH4 | –74.9 | BM02, p241 |
| 9 | CN | 435.1 | BM02, p247 |
| 10 | CO | –110.5 | BM02, p251 |
| 11 | CO2 | –393.5 | BM02, p251 |
| 12 | CS | 280.3 | BM02, p253 |
| 13 | H | 218.0 | BM02, p558 |
| 14 | H2 | 0.0 | BM02, p568 |
| 15 | H2CO | –115.9 | BM02, p240 |
| 16 | H2O | –241.8 | BM02, p571 |
| 17 | H2O2 | –135.8 | BM02, p572 |
| 18 | H2S | –20.5 | BM02, p574 |
| 19 | HCN | 135.1 | BM02, p239 |
| 20 | HNC | 135.1 | Estimated |
| 21 | HCO | 43.5 | BM02, p239 |
| 22 | HCOO | –386.8 | Url1 |
| 23 | HCOOH | –378.6 | BM02, p240 |
| 24 | HCS | 296.2 | K98 |
| 25 | HNO | 99.6 | BM02, p563 |
| 26 | HNO2 | –78.8 | BM02, p563 |
| 27 | HNO3 | –134.3 | BM02, p563 |
| 28 | HS | 139.3 | BM02, p567 |
| 29 | N | 472.7 | BM02, p693 |
| 30 | N2 | 0.0 | BM02, p699 |
| 31 | N2H | 245.2 | VS91 |
| 32 | N2H2 | 213.0 | BM02, p570 |
| 33 | NH | 376.6 | BM02, p563 |
| 34 | NH2 | 190.4 | BM02, p570 |
| 35 | NH2CHO | –186.0 | NIST Webbook |
| 36 | NH2CO | –13.1 | NCet10 |
| 37 | NH3 | –45.9 | BM02, p577 |
| 38 | NHCO | –101.7 | BM02, p239 |
| 39 | NO | 90.3 | BM02, p695 |
| 40 | NO2 | 33.1 | BM02, p695 |
| 41 | NO3 | 71.1 | BM02, p695 |
| 42 | O | 249.2 | BM02, p733 |
| 43 | O2 | 0.0 | BM02, p741 |
| 44 | O2H | 2.1 | BM02, p567 |
| 45 | O3 | 142.7 | BM02, p752 |
| 46 | OCN | 159.4 | BM02, p248 |
| 47 | OCS | –138.4 | BM02, p251 |
| 48 | OH | 39.0 | BM02, p566 |
| 49 | S | 277.0 | BM02, p811 |
| 50 | SO | 5.0 | BM02, p736 |
| 51 | SO2 | –296.8 | BM02, p743 |
| 52 | C2 | 837.74 | NIST Webbook |
| 53 | C2H | 476.98 | NIST Webbook |
| 54 | C2H2 | 226.73 | NIST Webbook |
References. BM02: Binnewies & Milke (1999); NIST Webbook: http://webbook.nist.gov/chemistry/; NCet10: Nagy et al. (2010); K98: Kaiser et al. (1998); VS91: Vandooren et al. (1991); Url1: http://chem.engr.utc.edu/webres/331f/teams-98/chp/Boiler%20DC/tsld007.htm
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