Cantera/CTI Files/Phases

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Phase Specification

Gas

ideal_gas(name = "gas",
         elements = "O H C N Ar",
         species = """gri30: H2      H       O       O2      OH      
                             H2O     HO2     H2O2 
         C       CH      CH2     CH2(S)  CH3     CH4     CO      CO2     
         HCO     CH2O    CH2OH   CH3O    CH3OH   C2H     C2H2    C2H3    
         C2H4    C2H5    C2H6    HCCO    CH2CO   HCCOH AR N2""",
          transport = 'Mix',
          reactions = 'gri30: all',
          options = ['skip_undeclared_elements',
                     'skip_undeclared_species'],
          initial_state = state(temperature = 300.0, pressure = OneAtm,
                                mole_fractions = 'CH4:0.095, O2:0.21, AR:0.79')
          )

Interface (Surface)

ideal_interface(name = "Pt_surf",
                elements = " Pt  H  O  C ",
                species = """ PT(S) H(S)
 H2O(S)  OH(S)  CO(S)  CO2(S)  CH3(S)
                CH2(S)s  CH(S)  C(S)  O(S) """,
                phases = "gas",
                site_density = 2.7063e-9,
                reactions = "all",
                initial_state = state(temperature = 900.0,
                                      coverages = 'O(S):0.0, PT(S):0.5, H(S):0.5')
                )