For CHEMKIN users: Remove all the comment lines preceding each specie. Compare this calculation with the heats of formation obtained using the tables in the appendix from a textbook (note your source). CHEMKIN format NASA Polynomial: DFTQCIthermo H2 H 2 G 100.000 5000.000 1522.54 1 3.18685786E+00 1.91832066E-04 2. It includes ideal gas thermodynamic data in polynomial form, for species used in. Using the Sandia (Chemkin) thermodynamic database polynomial values, determine the heats of formation for the same two molecules at 25☌. Construct plots of ū (kcal/kmol) and h (kcal/kmol) as a function of temperature for T = 300 to 3000 K at 1 atm for OH and for CO. Study the short description of the format for listing the an constants from the manual. The format for thermo.dbis detailed in the CHEMKIN manual 39. Gas-Phase Thermodynamic Database Fileif the default thermodynamic database file, ( thermo.db), does not contain all the gas-phase species in the CHEMKIN mechanism. (The Chemkin thermo database manual and a sample data file are provided on the course website.) The polynomials are based on the format originally utilized by NASA: a1 + a2T + azT2 + 2413 + a 14 - a5 T4 TT 04 93 + 03 T2+ 22.1 + ao ant 2 + RT 3 32+ u5 14 + 27 = a InT + a2T + il + 2 3 Where cal, mol, K units are used so that R = 1.986 kcal/kmol-K. path/ file.che) under Gas-Phase CHEMKIN Mechanism File.

The Chemkin thermodynamic database uses a compact array of constants from polynomial representations of the enthalpy, entropy, and specific heat on an absolute scale with 25☌ as the reference temperature.

Thermo chemkin format