3.3.7. Output from Chemkin Sample Program (SKSAMPLE)
INPUT INITIAL PRESSURE(ATM) AND TEMPERATURE(K)
0.263E-02 0.171E+04
INPUT INITIAL ACTIVITY OF NEXT SPECIES
SIF4 0.14286
INPUT INITIAL ACTIVITY OF NEXT SPECIES
NH3 0.85714
INPUT INITIAL ACTIVITY OF NEXT SPECIES
NHSIF(S) 6.251E-2
INPUT INITIAL ACTIVITY OF NEXT SPECIES
NHNH2(S) 0.91587
INPUT INITIAL ACTIVITY OF NEXT SPECIES
SIF3NH2(S) 2.354E-4
INPUT INITIAL ACTIVITY OF NEXT SPECIES
SIF2NH(S) 2.0837E-2
INPUT INITIAL ACTIVITY OF NEXT SPECIES
NH2SIFNH(S) 1.806E-4
INPUT INITIAL ACTIVITY OF NEXT SPECIES
NHSIFNHSIFNH(S) 3.6127E-4
INPUT INITIAL ACTIVITY OF NEXT SPECIES
N(D) 1.0
INPUT INITIAL ACTIVITY OF NEXT SPECIES
SI(D) 1.0
INPUT INITIAL ACTIVITY OF NEXT SPECIES
END
INPUT SURFACE AREA TO VOLUME RATIO
0.600E+01
INPUT FINAL TIME AND DT
0.500E-01 0.500E-02
TIME = 0.000000000000000E+000
GAS-PHASE STATE
P = 2.6648E+03 T = 1.7130E+03 DENSITY = 5.5132E-07
GAS-PHASE MOLE FRACTIONS
H2 = 0.000E+00 H = 0.000E+00 N2 = 0.000E+00
N = 0.000E+00 NH = 0.000E+00 NH2 = 0.000E+00
NNH = 0.000E+00 N2H2 = 0.000E+00 N2H3 = 0.000E+00
N2H4 = 0.000E+00 HF = 0.000E+00 F = 0.000E+00
SIF4 = 1.429E-01 SIF3 = 0.000E+00 SIHF3 = 0.000E+00
SIF3NH2 = 0.000E+00 NH3 = 8.571E-01
SURFACE SITE FRACTIONS ON PHASE (SITE) 2
NHSIF(S) = 6.251E-02 SIF3NH2(S) = 2.354E-04 SIF2NH(S) = 2.084E-02
NH2SIFNH(S) = 1.806E-04 NHSIFNHSIFNH= 3.613E-04 NHNH2(S) = 9.159E-01
SUM OF SURFACE SITE FRACTIONS 1.000E+00
SURFACE SITE DENSITY 4.168E-09
BULK DEPOSITION (GM/CM**2) IN PHASE 3
SI(D) = 0.000E+00
BULK DEPOSITION (GM/CM**2) IN PHASE 4
N(D) = 0.000E+00
TIME = 5.000000000000000E-003
GAS-PHASE STATE
P = 3.0065E+03 T = 1.7130E+03 DENSITY = 4.8817E-07
GAS-PHASE MOLE FRACTIONS
H2 = 2.704E-06 H = 2.254E-08 N2 = 1.863E-10
N = 2.284E-14 NH = 3.420E-10 NH2 = 5.428E-06
NNH = 1.422E-11 N2H2 = 3.396E-10 N2H3 = 1.230E-11
N2H4 = 5.744E-13 HF = 2.829E-01 F = 3.559E-11
SIF4 = 6.035E-02 SIF3 = 8.522E-11 SIHF3 = 2.630E-11
SIF3NH2 = 1.277E-10 NH3 = 6.568E-01
SURFACE SITE FRACTIONS ON PHASE (SITE) 2
NHSIF(S) = 4.850E-02 SIF3NH2(S) = 1.534E-04 SIF2NH(S) = 1.291E-02
NH2SIFNH(S) = 2.084E-04 NHSIFNHSIFNH= 4.171E-04 NHNH2(S) = 9.378E-01
SUM OF SURFACE SITE FRACTIONS 1.000E+00
SURFACE SITE DENSITY 4.168E-09
BULK DEPOSITION (GM/CM**2) IN PHASE 3
SI(D) = 4.700E-08
BULK DEPOSITION (GM/CM**2) IN PHASE 4
N(D) = 2.659E-08
TIME = 1.000000000000000E-002
GAS-PHASE STATE
P = 3.1752E+03 T = 1.7130E+03 DENSITY = 4.5844E-07
GAS-PHASE MOLE FRACTIONS
H2 = 5.055E-06 H = 2.264E-08 N2 = 2.256E-09
N = 2.490E-13 NH = 1.807E-09 NH2 = 1.011E-05
NNH = 7.943E-11 N2H2 = 1.742E-09 N2H3 = 5.209E-11
N2H4 = 2.231E-12 HF = 4.074E-01 F = 1.104E-10
SIF4 = 2.667E-02 SIF3 = 5.378E-11 SIHF3 = 4.881E-11
SIF3NH2 = 2.443E-10 NH3 = 5.659E-01
SURFACE SITE FRACTIONS ON PHASE (SITE) 2
NHSIF(S) = 2.927E-02 SIF3NH2(S) = 7.350E-05 SIF2NH(S) = 6.970E-03
NH2SIFNH(S) = 1.896E-04 NHSIFNHSIFNH= 3.797E-04 NHNH2(S) = 9.631E-01
SUM OF SURFACE SITE FRACTIONS 1.000E+00
SURFACE SITE DENSITY 4.168E-09
BULK DEPOSITION (GM/CM**2) IN PHASE 3
SI(D) = 7.497E-08
BULK DEPOSITION (GM/CM**2) IN PHASE 4
N(D) = 3.963E-08
TIME = 1.500000000000000E-002
GAS-PHASE STATE
P = 3.2558E+03 T = 1.7130E+03 DENSITY = 4.4466E-07
GAS-PHASE MOLE FRACTIONS
H2 = 7.295E-06 H = 2.281E-08 N2 = 8.864E-09
N = 9.816E-13 NH = 4.684E-09 NH2 = 1.453E-05
NNH = 1.978E-10 N2H2 = 4.189E-09 N2H3 = 1.147E-10
N2H4 = 4.816E-12 HF = 4.647E-01 F = 1.958E-10
SIF4 = 1.193E-02 SIF3 = 2.873E-11 SIHF3 = 6.054E-11
SIF3NH2 = 3.091E-10 NH3 = 5.233E-01
SURFACE SITE FRACTIONS ON PHASE (SITE) 2
NHSIF(S) = 1.601E-02 SIF3NH2(S) = 3.431E-05 SIF2NH(S) = 3.499E-03
NH2SIFNH(S) = 1.798E-04 NHSIFNHSIFNH= 3.600E-04 NHNH2(S) = 9.799E-01
SUM OF SURFACE SITE FRACTIONS 1.000E+00
SURFACE SITE DENSITY 4.168E-09
BULK DEPOSITION (GM/CM**2) IN PHASE 3
SI(D) = 8.990E-08
BULK DEPOSITION (GM/CM**2) IN PHASE 4
N(D) = 4.585E-08
TIME = 2.000000000000000E-002
GAS-PHASE STATE
P = 3.2934E+03 T = 1.7130E+03 DENSITY = 4.3840E-07
GAS-PHASE MOLE FRACTIONS
H2 = 9.524E-06 H = 2.306E-08 N2 = 2.265E-08
N = 2.505E-12 NH = 9.016E-09 NH2 = 1.888E-05
NNH = 3.679E-10 N2H2 = 7.662E-09 N2H3 = 1.994E-10
N2H4 = 8.295E-12 HF = 4.914E-01 F = 2.798E-10
SIF4 = 5.356E-03 SIF3 = 1.435E-11 SIHF3 = 6.631E-11
SIF3NH2 = 3.429E-10 NH3 = 5.032E-01
SURFACE SITE FRACTIONS ON PHASE (SITE) 2
NHSIF(S) = 8.165E-03 SIF3NH2(S) = 1.573E-05 SIF2NH(S) = 1.670E-03
NH2SIFNH(S) = 1.749E-04 NHSIFNHSIFNH= 3.502E-04 NHNH2(S) = 9.896E-01
SUM OF SURFACE SITE FRACTIONS 1.000E+00
SURFACE SITE DENSITY 4.168E-09
BULK DEPOSITION (GM/CM**2) IN PHASE 3
SI(D) = 9.750E-08
BULK DEPOSITION (GM/CM**2) IN PHASE 4
N(D) = 4.874E-08
TIME = 2.500000000000000E-002
GAS-PHASE STATE
P = 3.3106E+03 T = 1.7130E+03 DENSITY = 4.3558E-07
GAS-PHASE MOLE FRACTIONS
H2 = 1.178E-05 H = 2.339E-08 N2 = 4.629E-08
N = 5.001E-12 NH = 1.472E-08 NH2 = 2.322E-05
NNH = 5.909E-10 N2H2 = 1.220E-08 N2H3 = 3.066E-10
N2H4 = 1.267E-11 HF = 5.038E-01 F = 3.595E-10
SIF4 = 2.405E-03 SIF3 = 6.877E-12 SIHF3 = 6.908E-11
SIF3NH2 = 3.599E-10 NH3 = 4.937E-01
SURFACE SITE FRACTIONS ON PHASE (SITE) 2
NHSIF(S) = 3.963E-03 SIF3NH2(S) = 7.140E-06 SIF2NH(S) = 7.736E-04
NH2SIFNH(S) = 1.725E-04 NHSIFNHSIFNH= 3.455E-04 NHNH2(S) = 9.947E-01
SUM OF SURFACE SITE FRACTIONS 1.000E+00
SURFACE SITE DENSITY 4.168E-09
BULK DEPOSITION (GM/CM**2) IN PHASE 3
SI(D) = 1.012E-07
BULK DEPOSITION (GM/CM**2) IN PHASE 4
N(D) = 5.006E-08
TIME = 3.000000000000000E-002
GAS-PHASE STATE
P = 3.3184E+03 T = 1.7130E+03 DENSITY = 4.3431E-07
GAS-PHASE MOLE FRACTIONS
H2 = 1.408E-05 H = 2.380E-08 N2 = 8.252E-08
N = 8.522E-12 NH = 2.167E-08 NH2 = 2.756E-05
NNH = 8.688E-10 N2H2 = 1.786E-08 N2H3 = 4.368E-10
N2H4 = 1.794E-11 HF = 5.095E-01 F = 4.354E-10
SIF4 = 1.080E-03 SIF3 = 3.211E-12 SIHF3 = 7.037E-11
SIF3NH2 = 3.683E-10 NH3 = 4.894E-01
SURFACE SITE FRACTIONS ON PHASE (SITE) 2
NHSIF(S) = 1.861E-03 SIF3NH2(S) = 3.222E-06 SIF2NH(S) = 3.526E-04
NH2SIFNH(S) = 1.714E-04 NHSIFNHSIFNH= 3.433E-04 NHNH2(S) = 9.973E-01
SUM OF SURFACE SITE FRACTIONS 1.000E+00
SURFACE SITE DENSITY 4.168E-09
BULK DEPOSITION (GM/CM**2) IN PHASE 3
SI(D) = 1.030E-07
BULK DEPOSITION (GM/CM**2) IN PHASE 4
N(D) = 5.066E-08
TIME = 3.500000000000000E-002
GAS-PHASE STATE
P = 3.3220E+03 T = 1.7130E+03 DENSITY = 4.3374E-07
GAS-PHASE MOLE FRACTIONS
H2 = 1.643E-05 H = 2.429E-08 N2 = 1.342E-07
N = 1.300E-11 NH = 2.974E-08 NH2 = 3.191E-05
NNH = 1.203E-09 N2H2 = 2.465E-08 N2H3 = 5.901E-10
N2H4 = 2.413E-11 HF = 5.121E-01 F = 5.086E-10
SIF4 = 4.849E-04 SIF3 = 1.476E-12 SIHF3 = 7.096E-11
SIF3NH2 = 3.723E-10 NH3 = 4.874E-01
SURFACE SITE FRACTIONS ON PHASE (SITE) 2
NHSIF(S) = 8.564E-04 SIF3NH2(S) = 1.450E-06 SIF2NH(S) = 1.594E-04
NH2SIFNH(S) = 1.709E-04 NHSIFNHSIFNH= 3.422E-04 NHNH2(S) = 9.985E-01
SUM OF SURFACE SITE FRACTIONS 1.000E+00
SURFACE SITE DENSITY 4.168E-09
BULK DEPOSITION (GM/CM**2) IN PHASE 3
SI(D) = 1.038E-07
BULK DEPOSITION (GM/CM**2) IN PHASE 4
N(D) = 5.093E-08
TIME = 4.000000000000000E-002
GAS-PHASE STATE
P = 3.3236E+03 T = 1.7130E+03 DENSITY = 4.3349E-07
GAS-PHASE MOLE FRACTIONS
H2 = 1.884E-05 H = 2.486E-08 N2 = 2.041E-07
N = 1.831E-11 NH = 3.881E-08 NH2 = 3.625E-05
NNH = 1.596E-09 N2H2 = 3.262E-08 N2H3 = 7.664E-10
N2H4 = 3.121E-11 HF = 5.132E-01 F = 5.803E-10
SIF4 = 2.177E-04 SIF3 = 6.732E-13 SIHF3 = 7.123E-11
SIF3NH2 = 3.743E-10 NH3 = 4.865E-01
SURFACE SITE FRACTIONS ON PHASE (SITE) 2
NHSIF(S) = 3.895E-04 SIF3NH2(S) = 6.515E-07 SIF2NH(S) = 7.180E-05
NH2SIFNH(S) = 1.707E-04 NHSIFNHSIFNH= 3.418E-04 NHNH2(S) = 9.990E-01
SUM OF SURFACE SITE FRACTIONS 1.000E+00
SURFACE SITE DENSITY 4.168E-09
BULK DEPOSITION (GM/CM**2) IN PHASE 3
SI(D) = 1.041E-07
BULK DEPOSITION (GM/CM**2) IN PHASE 4
N(D) = 5.105E-08
TIME = 4.500000000000000E-002
GAS-PHASE STATE
P = 3.3243E+03 T = 1.7130E+03 DENSITY = 4.3337E-07
GAS-PHASE MOLE FRACTIONS
H2 = 2.131E-05 H = 2.553E-08 N2 = 2.953E-07
N = 2.427E-11 NH = 4.878E-08 NH2 = 4.060E-05
NNH = 2.047E-09 N2H2 = 4.177E-08 N2H3 = 9.658E-10
N2H4 = 3.920E-11 HF = 5.138E-01 F = 6.511E-10
SIF4 = 9.773E-05 SIF3 = 3.069E-13 SIHF3 = 7.135E-11
SIF3NH2 = 3.752E-10 NH3 = 4.861E-01
SURFACE SITE FRACTIONS ON PHASE (SITE) 2
NHSIF(S) = 1.760E-04 SIF3NH2(S) = 2.926E-07 SIF2NH(S) = 3.228E-05
NH2SIFNH(S) = 1.706E-04 NHSIFNHSIFNH= 3.416E-04 NHNH2(S) = 9.993E-01
SUM OF SURFACE SITE FRACTIONS 1.000E+00
SURFACE SITE DENSITY 4.168E-09
BULK DEPOSITION (GM/CM**2) IN PHASE 3
SI(D) = 1.043E-07
BULK DEPOSITION (GM/CM**2) IN PHASE 4
N(D) = 5.111E-08
TIME = 5.000000000000000E-002
GAS-PHASE STATE
P = 3.3246E+03 T = 1.7130E+03 DENSITY = 4.3332E-07
GAS-PHASE MOLE FRACTIONS
H2 = 2.386E-05 H = 2.628E-08 N2 = 4.107E-07
N = 3.071E-11 NH = 5.957E-08 NH2 = 4.494E-05
NNH = 2.558E-09 N2H2 = 5.211E-08 N2H3 = 1.188E-09
N2H4 = 4.810E-11 HF = 5.140E-01 F = 7.215E-10
SIF4 = 4.387E-05 SIF3 = 1.412E-13 SIHF3 = 7.140E-11
SIF3NH2 = 3.756E-10 NH3 = 4.859E-01
SURFACE SITE FRACTIONS ON PHASE (SITE) 2
NHSIF(S) = 7.928E-05 SIF3NH2(S) = 1.314E-07 SIF2NH(S) = 1.450E-05
NH2SIFNH(S) = 1.705E-04 NHSIFNHSIFNH= 3.415E-04 NHNH2(S) = 9.994E-01
SUM OF SURFACE SITE FRACTIONS 1.000E+00
SURFACE SITE DENSITY 4.168E-09
BULK DEPOSITION (GM/CM**2) IN PHASE 3
SI(D) = 1.044E-07
BULK DEPOSITION (GM/CM**2) IN PHASE 4
N(D) = 5.113E-08
TIME = 5.000000000000000E-002
GAS-PHASE STATE
P = 3.3246E+03 T = 1.7130E+03 DENSITY = 4.3332E-07
GAS-PHASE MOLE FRACTIONS
H2 = 2.386E-05 H = 2.628E-08 N2 = 4.107E-07
N = 3.071E-11 NH = 5.957E-08 NH2 = 4.494E-05
NNH = 2.558E-09 N2H2 = 5.211E-08 N2H3 = 1.188E-09
N2H4 = 4.810E-11 HF = 5.140E-01 F = 7.215E-10
SIF4 = 4.387E-05 SIF3 = 1.412E-13 SIHF3 = 7.140E-11
SIF3NH2 = 3.756E-10 NH3 = 4.859E-01
SURFACE SITE FRACTIONS ON PHASE (SITE) 2
NHSIF(S) = 7.928E-05 SIF3NH2(S) = 1.314E-07 SIF2NH(S) = 1.450E-05
NH2SIFNH(S) = 1.705E-04 NHSIFNHSIFNH= 3.415E-04 NHNH2(S) = 9.994E-01
SUM OF SURFACE SITE FRACTIONS 1.000E+00
SURFACE SITE DENSITY 4.168E-09
BULK DEPOSITION (GM/CM**2) IN PHASE 3
SI(D) = 1.044E-07
BULK DEPOSITION (GM/CM**2) IN PHASE 4
N(D) = 5.113E-08
STOP...TIME LIMIT REACHED...
