686 lines
33 KiB
Text
686 lines
33 KiB
Text
Number of species = 10
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Number of species in bulk phase named soot = 1
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Number of species in surface phase, soot_interface = 2
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Number of reactions = 8
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================================ SOLVESP CALL SETUP ========================================
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SOLVESP Called with Initialization turned on
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Time scale input = 1.000e+00
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Bulk Phases have fixed compositions
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Damping is ON
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Reltol = 1.000e-06, Abstol = 1.000e-20
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================================ INITIAL GUESS ========================================
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IntefaceKinetics Object # 0
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Number of Phases = 3
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Temperature = 1.400e+03 Kelvin
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Pressure = 1.01e+05 Pa
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Phase:SpecName Prod_Rate MoleFraction kindexSP
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-----------------------------------------------------------------
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gas:H -7.124e-03 9.990e-03
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gas:N2 0.000e+00 8.890e-01
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gas:CH3 0.000e+00 0.000e+00
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gas:CH4 0.000e+00 9.990e-03
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gas:C2H2 -5.457e-04 9.990e-03
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gas:H2 1.094e-03 3.996e-02
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gas:OH -6.584e-05 9.990e-05
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gas:H2O 3.226e-05 3.996e-02
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gas:CO 4.339e-05 0.000e+00
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gas:O2 -4.906e-06 9.990e-04
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soot:CB-CB3 1.048e-03 1.000e+00
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soot_interface:Csoot-* -6.029e-03 1.000e-01 0
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soot_interface:Csoot-H 6.029e-03 9.000e-01 1
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===========================================================================================
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calc_t: spec=0(Csoot-*) sf=1.000000e-01 pr=-6.028568e-03 dt=6.303322e-07
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===============================Iteration 1 =================================
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Transient step with: Real Time_n-1 = 0.0000e+00 sec, Time_n = 6.3033e-07 sec
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Delta t = 6.3033e-07 sec
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Printout of residual and jacobian
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Residual: weighted norm = 2.9368e+05
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Index Species_Name Residual Resid/wtRes wtRes
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0: soot_interface:Csoot-* : 6.029e-03 4.153e+05 1.452e-08
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1: soot_interface:Csoot-H : 0.000e+00 0.000e+00 3.800e-14
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Jacobian:
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Row 0:Csoot-* :
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3.4963e+06 -3.5935e+04
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Row 1:Csoot-H :
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-1.0000e-00 -1.0000e+00
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Weighted norm of update = 3.1954e+05
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Name Prod_Rate XMol Conc Conc_Old wtConc
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--------------------------------------------------------------------------------------
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Csoot-* -2.708e-03 5.509e-02 2.093e-09 3.800e-09 3.800e-15 Tctrl
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Csoot-H 2.708e-03 9.449e-01 3.591e-08 3.420e-08 3.420e-14
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--------------------------------------------------------------------------------------
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Delta_t increase due to repeated controlling species = 1.500000e+00
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calc_t: spec=0(Csoot-*) sf=5.508663e-02 pr=-2.707633e-03 dt=1.159662e-06
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===============================Iteration 2 =================================
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Transient step with: Real Time_n-1 = 6.3033e-07 sec, Time_n = 1.7900e-06 sec
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Delta t = 1.1597e-06 sec
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Printout of residual and jacobian
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Residual: weighted norm = 1.3190e+05
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Index Species_Name Residual Resid/wtRes wtRes
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0: soot_interface:Csoot-* : 2.708e-03 1.865e+05 1.452e-08
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1: soot_interface:Csoot-H : 1.321e-17 3.476e-04 3.800e-14
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Jacobian:
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Row 0:Csoot-* :
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2.7722e+06 -3.5935e+04
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Row 1:Csoot-H :
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-1.0000e-00 -1.0000e-00
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Weighted norm of update = 1.8053e+05
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Name Prod_Rate XMol Conc Conc_Old wtConc
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--------------------------------------------------------------------------------------
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Csoot-* -8.315e-04 2.971e-02 1.129e-09 2.093e-09 3.800e-15 Tctrl
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Csoot-H 8.315e-04 9.703e-01 3.687e-08 3.591e-08 3.420e-14
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--------------------------------------------------------------------------------------
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Delta_t increase due to repeated controlling species = 2.250000e+00
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calc_t: spec=0(Csoot-*) sf=2.971266e-02 pr=-8.314589e-04 dt=3.055391e-06
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===============================Iteration 3 =================================
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Transient step with: Real Time_n-1 = 1.7900e-06 sec, Time_n = 4.8454e-06 sec
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Delta t = 3.0554e-06 sec
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Printout of residual and jacobian
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Residual: weighted norm = 4.0505e+04
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Index Species_Name Residual Resid/wtRes wtRes
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0: soot_interface:Csoot-* : 8.315e-04 5.728e+04 1.452e-08
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1: soot_interface:Csoot-H : 1.823e-17 4.797e-04 3.800e-14
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Jacobian:
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Row 0:Csoot-* :
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2.2372e+06 -3.5935e+04
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Row 1:Csoot-H :
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-1.0000e-00 -1.0000e+00
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Weighted norm of update = 6.8484e+04
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Name Prod_Rate XMol Conc Conc_Old wtConc
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--------------------------------------------------------------------------------------
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Csoot-* -1.197e-04 2.009e-02 7.633e-10 1.129e-09 3.800e-15 Tctrl
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Csoot-H 1.197e-04 9.799e-01 3.724e-08 3.687e-08 3.420e-14
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--------------------------------------------------------------------------------------
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Delta_t increase due to repeated controlling species = 3.375000e+00
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calc_t: spec=0(Csoot-*) sf=2.008683e-02 pr=-1.197167e-04 dt=2.151860e-05
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===============================Iteration 4 =================================
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Transient step with: Real Time_n-1 = 4.8454e-06 sec, Time_n = 2.6364e-05 sec
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Delta t = 2.1519e-05 sec
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Printout of residual and jacobian
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Residual: weighted norm = 5.8320e+03
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Index Species_Name Residual Resid/wtRes wtRes
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0: soot_interface:Csoot-* : 1.197e-04 8.248e+03 1.452e-08
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1: soot_interface:Csoot-H : 2.316e-18 6.094e-05 3.800e-14
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Jacobian:
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Row 0:Csoot-* :
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1.9563e+06 -3.5935e+04
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Row 1:Csoot-H :
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-1.0000e+00 -1.0000e+00
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Weighted norm of update = 1.1250e+04
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Name Prod_Rate XMol Conc Conc_Old wtConc
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--------------------------------------------------------------------------------------
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Csoot-* -2.792e-06 1.851e-02 7.032e-10 7.633e-10 3.800e-15 Tctrl
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Csoot-H 2.792e-06 9.815e-01 3.730e-08 3.724e-08 3.420e-14
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--------------------------------------------------------------------------------------
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Delta_t increase due to repeated controlling species = 5.062500e+00
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calc_t: spec=0(Csoot-*) sf=1.850551e-02 pr=-2.792476e-06 dt=1.274853e-03
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===============================Iteration 5 =================================
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Transient step with: Real Time_n-1 = 2.6364e-05 sec, Time_n = 1.3012e-03 sec
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Delta t = 1.2749e-03 sec
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Printout of residual and jacobian
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Residual: weighted norm = 7.3573e+02
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Index Species_Name Residual Resid/wtRes wtRes
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0: soot_interface:Csoot-* : 2.792e-06 1.040e+03 2.684e-09
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1: soot_interface:Csoot-H : -1.436e-18 -3.778e-05 3.800e-14
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Jacobian:
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Row 0:Csoot-* :
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1.9107e+06 -3.5935e+04
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Row 1:Csoot-H :
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-1.0000e+00 -1.0000e+00
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Weighted norm of update = 1.4427e+03
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Name Prod_Rate XMol Conc Conc_Old wtConc
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--------------------------------------------------------------------------------------
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Csoot-* -1.125e-09 1.847e-02 7.018e-10 7.032e-10 7.032e-16 Tctrl
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Csoot-H 1.125e-09 9.815e-01 3.730e-08 3.730e-08 3.730e-14
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--------------------------------------------------------------------------------------
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Delta_t increase due to repeated controlling species = 7.593750e+00
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calc_t: spec=0(Csoot-*) sf=1.846776e-02 pr=-1.125263e-09 dt=4.735873e+00
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===============================Iteration 6 =================================
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Transient step with: Real Time_n-1 = 1.3012e-03 sec, Time_n = 4.7372e+00 sec
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Delta t = 4.7359e+00 sec
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Printout of residual and jacobian
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Residual: weighted norm = 2.9647e-01
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Index Species_Name Residual Resid/wtRes wtRes
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0: soot_interface:Csoot-* : 1.125e-09 4.193e-01 2.684e-09
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1: soot_interface:Csoot-H : -5.334e-20 -1.404e-06 3.800e-14
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Jacobian:
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Row 0:Csoot-* :
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1.9099e+06 -3.5935e+04
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Row 1:Csoot-H :
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-1.0000e-00 -1.0000e+00
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Weighted norm of update = 5.8161e-01
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Name Prod_Rate XMol Conc Conc_Old wtConc
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--------------------------------------------------------------------------------------
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Csoot-* -1.204e-16 1.847e-02 7.018e-10 7.018e-10 7.032e-16 Tctrl
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Csoot-H 1.206e-16 9.815e-01 3.730e-08 3.730e-08 3.730e-14
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--------------------------------------------------------------------------------------
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Switching to steady solve.
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===============================Iteration 7 =================================
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Steady Solve
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Printout of residual and jacobian
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Residual: weighted norm = 3.1736e-08
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Index Species_Name Residual Resid/wtRes wtRes
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0: soot_interface:Csoot-* : 1.204e-16 4.488e-08 2.684e-09
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1: soot_interface:Csoot-H : 2.647e-23 6.966e-10 3.800e-14
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Jacobian:
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Row 0:Csoot-* :
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1.9099e+06 -3.5935e+04
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Row 1:Csoot-H :
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-1.0000e+00 -1.0000e+00
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Weighted norm of update = 6.1771e-08
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Name Prod_Rate XMol Conc Conc_Old wtConc
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--------------------------------------------------------------------------------------
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Csoot-* -8.195e-20 1.847e-02 7.018e-10 7.018e-10 7.032e-16 Tctrl
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Csoot-H 8.809e-20 9.815e-01 3.730e-08 3.730e-08 3.730e-14
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--------------------------------------------------------------------------------------
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================================== FINAL RESULT ===========================================================
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Weighted norm of solution update = 6.1771e-08
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Weighted norm of residual update = 2.1591e-11
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Name Prod_Rate XMol Conc wtConc Resid Resid/wtResid wtResid
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------------------------------------------------------------------------------------------------------------
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Csoot-* -8.195e-20 1.847e-02 7.018e-10 7.032e-16 8.195e-20 3.053e-11 2.684e-09 Tctrl
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Csoot-H 8.809e-20 9.815e-01 3.730e-08 3.730e-14 0.000e+00 0.000e+00 3.800e-14
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------------------------------------------------------------------------------------------------------------
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IntefaceKinetics Object # 0
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Number of Phases = 3
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Temperature = 1.400e+03 Kelvin
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Pressure = 1.01e+05 Pa
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Phase:SpecName Prod_Rate MoleFraction kindexSP
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-----------------------------------------------------------------
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gas:H -2.366e-03 9.990e-03
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gas:N2 0.000e+00 8.890e-01
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gas:CH3 0.000e+00 0.000e+00
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gas:CH4 0.000e+00 9.990e-03
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gas:C2H2 -1.008e-04 9.990e-03
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gas:H2 1.283e-03 3.996e-02
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gas:OH -7.542e-05 9.990e-05
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gas:H2O 3.880e-05 3.996e-02
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gas:CO 3.843e-05 0.000e+00
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gas:O2 -9.061e-07 9.990e-04
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soot:CB-CB3 1.631e-04 1.000e+00
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soot_interface:Csoot-* -8.195e-20 1.847e-02 0
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soot_interface:Csoot-H 8.809e-20 9.815e-01 1
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===========================================================================================================
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Gas Temperature = 1400
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Gas Pressure = 101325
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Gas Phase: gas (0)
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Name Conc MoleF SrcRate
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(kmol/m^3) (kmol/m^2/s)
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0 H 8.69601e-05 0.00999001 -2.365628e-03
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1 N2 0.00773858 0.889011 0.000000e+00
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2 CH3 0 0 0.000000e+00
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3 CH4 8.69601e-05 0.00999001 0.000000e+00
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4 C2H2 8.69601e-05 0.00999001 -1.007796e-04
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5 H2 0.00034784 0.03996 1.282503e-03
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6 OH 8.69601e-07 9.99001e-05 -7.542496e-05
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7 H2O 0.00034784 0.03996 3.880305e-05
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8 CO 0 0 3.843405e-05
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9 O2 8.69601e-06 0.000999001 -9.060705e-07
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Sum of gas mole fractions= 1
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Bulk Phase: soot (10)
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Bulk Temperature = 1400
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Bulk Pressure = 101325
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Name Conc MoleF SrcRate
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(kmol/m^3) (kmol/m^2/s)
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0 CB-CB3 293.065 1 1.631252e-04
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Bulk Weight Growth Rate = 0.0019593 kg/m^2/s
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Bulk Growth Rate = 5.56619e-07 m/s
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Bulk Growth Rate = 2003.83 microns / hour
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Density of bulk phase = 3520 kg / m^3
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= 3.52 gm / cm^3
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Sum of bulk mole fractions= 1
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Surface Phase: soot_interface (11)
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Surface Temperature = 1400
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Surface Pressure = 101325
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Name Coverage SrcRate
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0 Csoot-* 0.0184677 -8.195044e-20
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1 Csoot-H 0.981532 -8.195044e-20
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Sum of coverages = 1
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================================ SOLVESP CALL SETUP ========================================
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SOLVESP Called to calculate steady state residual
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from a good initial guess
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Bulk Phases have fixed compositions
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Damping is ON
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Reltol = 1.000e-06, Abstol = 1.000e-20
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================================ INITIAL GUESS ========================================
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IntefaceKinetics Object # 0
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Number of Phases = 3
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Temperature = 1.400e+03 Kelvin
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Pressure = 1.01e+05 Pa
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Phase:SpecName Prod_Rate MoleFraction kindexSP
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-----------------------------------------------------------------
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gas:H -3.111e-03 1.299e-02
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gas:N2 0.000e+00 8.860e-01
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gas:CH3 0.000e+00 0.000e+00
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gas:CH4 0.000e+00 9.990e-03
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gas:C2H2 -1.008e-04 9.990e-03
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gas:H2 1.662e-03 3.996e-02
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gas:OH -7.542e-05 9.990e-05
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gas:H2O 3.880e-05 3.996e-02
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gas:CO 3.843e-05 0.000e+00
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gas:O2 -9.061e-07 9.990e-04
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soot:CB-CB3 1.631e-04 1.000e+00
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soot_interface:Csoot-* 1.308e-05 1.847e-02 0
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soot_interface:Csoot-H -1.308e-05 9.815e-01 1
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===========================================================================================
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===============================Iteration 1 =================================
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Steady Solve
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Printout of residual and jacobian
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Residual: weighted norm = 2.7005e+03
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Index Species_Name Residual Resid/wtRes wtRes
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0: soot_interface:Csoot-* : -1.308e-05 -3.819e+03 3.426e-09
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1: soot_interface:Csoot-H : 0.000e+00 0.000e+00 3.800e-14
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Jacobian:
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Row 0:Csoot-* :
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2.4316e+06 -4.6103e+04
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Row 1:Csoot-H :
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-1.0000e+00 -1.0000e+00
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Weighted norm of update = 5.3218e+03
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Name Prod_Rate XMol Conc Conc_Old wtConc
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--------------------------------------------------------------------------------------
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Csoot-* 1.328e-14 1.861e-02 7.071e-10 7.018e-10 7.018e-16
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Csoot-H -1.328e-14 9.814e-01 3.729e-08 3.730e-08 3.730e-14
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--------------------------------------------------------------------------------------
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===============================Iteration 2 =================================
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Steady Solve
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Printout of residual and jacobian
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Residual: weighted norm = 4.0777e-06
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Index Species_Name Residual Resid/wtRes wtRes
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0: soot_interface:Csoot-* : -1.328e-14 -3.877e-06 3.426e-09
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1: soot_interface:Csoot-H : 1.622e-19 4.269e-06 3.800e-14
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Jacobian:
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Row 0:Csoot-* :
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2.4316e+06 -4.6103e+04
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Row 1:Csoot-H :
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-1.0000e-00 -1.0000e+00
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Weighted norm of update = 8.9325e-06
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Name Prod_Rate XMol Conc Conc_Old wtConc
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--------------------------------------------------------------------------------------
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Csoot-* -3.028e-20 1.861e-02 7.071e-10 7.071e-10 7.018e-16
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Csoot-H 9.487e-20 9.814e-01 3.729e-08 3.729e-08 3.730e-14
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--------------------------------------------------------------------------------------
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================================== FINAL RESULT ===========================================================
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Weighted norm of solution update = 8.9325e-06
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Weighted norm of residual update = 6.2499e-12
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Name Prod_Rate XMol Conc wtConc Resid Resid/wtResid wtResid
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------------------------------------------------------------------------------------------------------------
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Csoot-* -3.028e-20 1.861e-02 7.071e-10 7.018e-16 3.028e-20 8.839e-12 3.426e-09
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Csoot-H 9.487e-20 9.814e-01 3.729e-08 3.730e-14 0.000e+00 0.000e+00 3.800e-14
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------------------------------------------------------------------------------------------------------------
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IntefaceKinetics Object # 0
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Number of Phases = 3
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Temperature = 1.400e+03 Kelvin
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Pressure = 1.01e+05 Pa
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Phase:SpecName Prod_Rate MoleFraction kindexSP
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-----------------------------------------------------------------
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gas:H -3.122e-03 1.299e-02
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gas:N2 0.000e+00 8.860e-01
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gas:CH3 0.000e+00 0.000e+00
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gas:CH4 0.000e+00 9.990e-03
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gas:C2H2 -1.015e-04 9.990e-03
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gas:H2 1.661e-03 3.996e-02
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gas:OH -7.541e-05 9.990e-05
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gas:H2O 3.879e-05 3.996e-02
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gas:CO 3.844e-05 0.000e+00
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gas:O2 -9.129e-07 9.990e-04
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soot:CB-CB3 1.646e-04 1.000e+00
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soot_interface:Csoot-* -3.028e-20 1.861e-02 0
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soot_interface:Csoot-H 9.487e-20 9.814e-01 1
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===========================================================================================================
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Gas Temperature = 1400
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Gas Pressure = 101325
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Gas Phase: gas (0)
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Name Conc MoleF SrcRate
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(kmol/m^3) (kmol/m^2/s)
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0 H 0.000113048 0.012987 -3.121840e-03
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1 N2 0.00771249 0.886014 0.000000e+00
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2 CH3 0 0 0.000000e+00
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3 CH4 8.69601e-05 0.00999001 0.000000e+00
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4 C2H2 8.69601e-05 0.00999001 -1.015380e-04
|
|
5 H2 0.00034784 0.03996 1.661370e-03
|
|
6 OH 8.69601e-07 9.99001e-05 -7.540863e-05
|
|
7 H2O 0.00034784 0.03996 3.879190e-05
|
|
8 CO 0 0 3.844250e-05
|
|
9 O2 8.69601e-06 0.000999001 -9.128886e-07
|
|
Sum of gas mole fractions= 1
|
|
|
|
Bulk Phase: soot (10)
|
|
Bulk Temperature = 1400
|
|
Bulk Pressure = 101325
|
|
Name Conc MoleF SrcRate
|
|
(kmol/m^3) (kmol/m^2/s)
|
|
0 CB-CB3 293.065 1 1.646335e-04
|
|
Bulk Weight Growth Rate = 0.00197741 kg/m^2/s
|
|
Bulk Growth Rate = 5.61765e-07 m/s
|
|
Bulk Growth Rate = 2022.35 microns / hour
|
|
Density of bulk phase = 3520 kg / m^3
|
|
= 3.52 gm / cm^3
|
|
Sum of bulk mole fractions= 1
|
|
|
|
Surface Phase: soot_interface (11)
|
|
Surface Temperature = 1400
|
|
Surface Pressure = 101325
|
|
Name Coverage SrcRate
|
|
0 Csoot-* 0.0186067 -3.028143e-20
|
|
1 Csoot-H 0.981393 -3.028143e-20
|
|
Sum of coverages = 1
|
|
|
|
================================ SOLVESP CALL SETUP ========================================
|
|
|
|
SOLVESP Called to calculate steady state residual
|
|
from a good initial guess
|
|
Bulk Phases have fixed compositions
|
|
Damping is ON
|
|
Reltol = 1.000e-06, Abstol = 1.000e-20
|
|
|
|
================================ INITIAL GUESS ========================================
|
|
|
|
IntefaceKinetics Object # 0
|
|
|
|
Number of Phases = 3
|
|
Temperature = 1.495e+03 Kelvin
|
|
Pressure = 1.01e+05 Pa
|
|
|
|
Phase:SpecName Prod_Rate MoleFraction kindexSP
|
|
-----------------------------------------------------------------
|
|
gas:H -3.431e-03 1.299e-02
|
|
gas:N2 0.000e+00 8.860e-01
|
|
gas:CH3 0.000e+00 0.000e+00
|
|
gas:CH4 0.000e+00 9.990e-03
|
|
gas:C2H2 -1.149e-04 9.990e-03
|
|
gas:H2 2.084e-03 3.996e-02
|
|
gas:OH -7.447e-05 9.990e-05
|
|
gas:H2O 3.903e-05 3.996e-02
|
|
gas:CO 3.746e-05 0.000e+00
|
|
gas:O2 -1.015e-06 9.990e-04
|
|
soot:CB-CB3 1.923e-04 1.000e+00
|
|
soot_interface:Csoot-* 5.111e-04 1.861e-02 0
|
|
soot_interface:Csoot-H -5.111e-04 9.814e-01 1
|
|
===========================================================================================
|
|
|
|
===============================Iteration 1 =================================
|
|
Steady Solve
|
|
Printout of residual and jacobian
|
|
Residual: weighted norm = 9.5571e+04
|
|
Index Species_Name Residual Resid/wtRes wtRes
|
|
0: soot_interface:Csoot-* : -5.111e-04 -1.352e+05 3.781e-09
|
|
1: soot_interface:Csoot-H : 0.000e+00 0.000e+00 3.800e-14
|
|
Jacobian:
|
|
Row 0:Csoot-* :
|
|
2.3127e+06 -5.7552e+04
|
|
Row 1:Csoot-H :
|
|
-1.0000e+00 -1.0000e+00
|
|
|
|
Weighted norm of update = 2.1569e+05
|
|
Name Prod_Rate XMol Conc Conc_Old wtConc
|
|
--------------------------------------------------------------------------------------
|
|
Csoot-* -6.424e-13 2.428e-02 9.227e-10 7.071e-10 7.071e-16
|
|
Csoot-H 6.424e-13 9.757e-01 3.708e-08 3.729e-08 3.729e-14
|
|
--------------------------------------------------------------------------------------
|
|
|
|
===============================Iteration 2 =================================
|
|
Steady Solve
|
|
Printout of residual and jacobian
|
|
Residual: weighted norm = 2.0108e-04
|
|
Index Species_Name Residual Resid/wtRes wtRes
|
|
0: soot_interface:Csoot-* : 6.424e-13 1.699e-04 3.781e-09
|
|
1: soot_interface:Csoot-H : 8.666e-18 2.281e-04 3.800e-14
|
|
Jacobian:
|
|
Row 0:Csoot-* :
|
|
2.3127e+06 -5.7552e+04
|
|
Row 1:Csoot-H :
|
|
-1.0000e+00 -1.0000e-00
|
|
|
|
Weighted norm of update = 1.7622e-04
|
|
Name Prod_Rate XMol Conc Conc_Old wtConc
|
|
--------------------------------------------------------------------------------------
|
|
Csoot-* -8.655e-19 2.428e-02 9.227e-10 9.227e-10 7.071e-16
|
|
Csoot-H 7.793e-19 9.757e-01 3.708e-08 3.708e-08 3.729e-14
|
|
--------------------------------------------------------------------------------------
|
|
|
|
================================== FINAL RESULT ===========================================================
|
|
|
|
Weighted norm of solution update = 1.7622e-04
|
|
Weighted norm of residual update = 2.0335e-10
|
|
|
|
Name Prod_Rate XMol Conc wtConc Resid Resid/wtResid wtResid
|
|
------------------------------------------------------------------------------------------------------------
|
|
Csoot-* -8.655e-19 2.428e-02 9.227e-10 7.071e-16 8.655e-19 2.289e-10 3.781e-09
|
|
Csoot-H 7.793e-19 9.757e-01 3.708e-08 3.729e-14 6.617e-24 1.741e-10 3.800e-14
|
|
------------------------------------------------------------------------------------------------------------
|
|
|
|
IntefaceKinetics Object # 0
|
|
|
|
Number of Phases = 3
|
|
Temperature = 1.495e+03 Kelvin
|
|
Pressure = 1.01e+05 Pa
|
|
|
|
Phase:SpecName Prod_Rate MoleFraction kindexSP
|
|
-----------------------------------------------------------------
|
|
gas:H -3.833e-03 1.299e-02
|
|
gas:N2 0.000e+00 8.860e-01
|
|
gas:CH3 0.000e+00 0.000e+00
|
|
gas:CH4 0.000e+00 9.990e-03
|
|
gas:C2H2 -1.499e-04 9.990e-03
|
|
gas:H2 2.065e-03 3.996e-02
|
|
gas:OH -7.369e-05 9.990e-05
|
|
gas:H2O 3.846e-05 3.996e-02
|
|
gas:CO 3.788e-05 0.000e+00
|
|
gas:O2 -1.324e-06 9.990e-04
|
|
soot:CB-CB3 2.620e-04 1.000e+00
|
|
soot_interface:Csoot-* -8.655e-19 2.428e-02 0
|
|
soot_interface:Csoot-H 7.793e-19 9.757e-01 1
|
|
|
|
===========================================================================================================
|
|
|
|
Gas Temperature = 1495
|
|
Gas Pressure = 101325
|
|
Gas Phase: gas (0)
|
|
Name Conc MoleF SrcRate
|
|
(kmol/m^3) (kmol/m^2/s)
|
|
0 H 0.000105864 0.012987 -3.833498e-03
|
|
1 N2 0.0072224 0.886014 0.000000e+00
|
|
2 CH3 0 0 0.000000e+00
|
|
3 CH4 8.14342e-05 0.00999001 0.000000e+00
|
|
4 C2H2 8.14342e-05 0.00999001 -1.499311e-04
|
|
5 H2 0.000325737 0.03996 2.065063e-03
|
|
6 OH 8.14342e-07 9.99001e-05 -7.369195e-05
|
|
7 H2O 0.000325737 0.03996 3.846262e-05
|
|
8 CO 0 0 3.787743e-05
|
|
9 O2 8.14342e-06 0.000999001 -1.324046e-06
|
|
Sum of gas mole fractions= 1
|
|
|
|
Bulk Phase: soot (10)
|
|
Bulk Temperature = 1495
|
|
Bulk Pressure = 101325
|
|
Name Conc MoleF SrcRate
|
|
(kmol/m^3) (kmol/m^2/s)
|
|
0 CB-CB3 293.065 1 2.619849e-04
|
|
Bulk Weight Growth Rate = 0.0031467 kg/m^2/s
|
|
Bulk Growth Rate = 8.93949e-07 m/s
|
|
Bulk Growth Rate = 3218.22 microns / hour
|
|
Density of bulk phase = 3520 kg / m^3
|
|
= 3.52 gm / cm^3
|
|
Sum of bulk mole fractions= 1
|
|
|
|
Surface Phase: soot_interface (11)
|
|
Surface Temperature = 1495
|
|
Surface Pressure = 101325
|
|
Name Coverage SrcRate
|
|
0 Csoot-* 0.0242812 -8.654559e-19
|
|
1 Csoot-H 0.975719 -8.654559e-19
|
|
Sum of coverages = 1
|
|
|
|
================================ SOLVESP CALL SETUP ========================================
|
|
|
|
SOLVESP Called to calculate steady state residual
|
|
from a good initial guess
|
|
Bulk Phases have fixed compositions
|
|
Damping is ON
|
|
Reltol = 1.000e-06, Abstol = 1.000e-20
|
|
|
|
================================ INITIAL GUESS ========================================
|
|
|
|
IntefaceKinetics Object # 0
|
|
|
|
Number of Phases = 3
|
|
Temperature = 1.495e+03 Kelvin
|
|
Pressure = 1.01e+05 Pa
|
|
|
|
Phase:SpecName Prod_Rate MoleFraction kindexSP
|
|
-----------------------------------------------------------------
|
|
gas:H -3.833e-03 1.299e-02
|
|
gas:N2 0.000e+00 8.860e-01
|
|
gas:CH3 0.000e+00 0.000e+00
|
|
gas:CH4 0.000e+00 9.990e-03
|
|
gas:C2H2 -1.499e-04 9.990e-03
|
|
gas:H2 2.065e-03 3.996e-02
|
|
gas:OH -7.369e-05 9.990e-05
|
|
gas:H2O 3.846e-05 3.996e-02
|
|
gas:CO 3.788e-05 0.000e+00
|
|
gas:O2 -1.324e-06 9.990e-04
|
|
soot:CB-CB3 2.620e-04 1.000e+00
|
|
soot_interface:Csoot-* -8.655e-19 2.428e-02 0
|
|
soot_interface:Csoot-H 7.793e-19 9.757e-01 1
|
|
===========================================================================================
|
|
|
|
===============================Iteration 1 =================================
|
|
Steady Solve
|
|
Printout of residual and jacobian
|
|
Residual: weighted norm = 1.4792e-10
|
|
Index Species_Name Residual Resid/wtRes wtRes
|
|
0: soot_interface:Csoot-* : 8.928e-19 2.092e-10 4.268e-09
|
|
1: soot_interface:Csoot-H : 0.000e+00 0.000e+00 3.800e-14
|
|
Jacobian:
|
|
Row 0:Csoot-* :
|
|
2.3127e+06 -5.7552e+04
|
|
Row 1:Csoot-H :
|
|
-1.0000e-00 -1.0000e-00
|
|
|
|
Weighted norm of update = 2.8875e-10
|
|
Name Prod_Rate XMol Conc Conc_Old wtConc
|
|
--------------------------------------------------------------------------------------
|
|
Csoot-* 2.965e-20 2.428e-02 9.227e-10 9.227e-10 9.227e-16
|
|
Csoot-H -5.218e-19 9.757e-01 3.708e-08 3.708e-08 3.708e-14
|
|
--------------------------------------------------------------------------------------
|
|
|
|
================================== FINAL RESULT ===========================================================
|
|
|
|
Weighted norm of solution update = 2.8875e-10
|
|
Weighted norm of residual update = 1.2324e-10
|
|
|
|
Name Prod_Rate XMol Conc wtConc Resid Resid/wtResid wtResid
|
|
------------------------------------------------------------------------------------------------------------
|
|
Csoot-* 2.965e-20 2.428e-02 9.227e-10 9.227e-16 -2.965e-20 -6.947e-12 4.268e-09
|
|
Csoot-H -5.218e-19 9.757e-01 3.708e-08 3.708e-14 6.617e-24 1.741e-10 3.800e-14
|
|
------------------------------------------------------------------------------------------------------------
|
|
|
|
IntefaceKinetics Object # 0
|
|
|
|
Number of Phases = 3
|
|
Temperature = 1.495e+03 Kelvin
|
|
Pressure = 1.01e+05 Pa
|
|
|
|
Phase:SpecName Prod_Rate MoleFraction kindexSP
|
|
-----------------------------------------------------------------
|
|
gas:H -3.833e-03 1.299e-02
|
|
gas:N2 0.000e+00 8.860e-01
|
|
gas:CH3 0.000e+00 0.000e+00
|
|
gas:CH4 0.000e+00 9.990e-03
|
|
gas:C2H2 -1.499e-04 9.990e-03
|
|
gas:H2 2.065e-03 3.996e-02
|
|
gas:OH -7.369e-05 9.990e-05
|
|
gas:H2O 3.846e-05 3.996e-02
|
|
gas:CO 3.788e-05 0.000e+00
|
|
gas:O2 -1.324e-06 9.990e-04
|
|
soot:CB-CB3 2.620e-04 1.000e+00
|
|
soot_interface:Csoot-* 2.965e-20 2.428e-02 0
|
|
soot_interface:Csoot-H -5.218e-19 9.757e-01 1
|
|
|
|
===========================================================================================================
|
|
|
|
Gas Temperature = 1495
|
|
Gas Pressure = 101325
|
|
Gas Phase: gas (0)
|
|
Name Conc MoleF SrcRate
|
|
(kmol/m^3) (kmol/m^2/s)
|
|
0 H 0.000105864 0.012987 -3.833498e-03
|
|
1 N2 0.0072224 0.886014 0.000000e+00
|
|
2 CH3 0 0 0.000000e+00
|
|
3 CH4 8.14342e-05 0.00999001 0.000000e+00
|
|
4 C2H2 8.14342e-05 0.00999001 -1.499311e-04
|
|
5 H2 0.000325737 0.03996 2.065063e-03
|
|
6 OH 8.14342e-07 9.99001e-05 -7.369195e-05
|
|
7 H2O 0.000325737 0.03996 3.846262e-05
|
|
8 CO 0 0 3.787743e-05
|
|
9 O2 8.14342e-06 0.000999001 -1.324046e-06
|
|
Sum of gas mole fractions= 1
|
|
|
|
Bulk Phase: soot (10)
|
|
Bulk Temperature = 1495
|
|
Bulk Pressure = 101325
|
|
Name Conc MoleF SrcRate
|
|
(kmol/m^3) (kmol/m^2/s)
|
|
0 CB-CB3 293.065 1 2.619849e-04
|
|
Bulk Weight Growth Rate = 0.0031467 kg/m^2/s
|
|
Bulk Growth Rate = 8.93949e-07 m/s
|
|
Bulk Growth Rate = 3218.22 microns / hour
|
|
Density of bulk phase = 3520 kg / m^3
|
|
= 3.52 gm / cm^3
|
|
Sum of bulk mole fractions= 1
|
|
|
|
Surface Phase: soot_interface (11)
|
|
Surface Temperature = 1495
|
|
Surface Pressure = 101325
|
|
Name Coverage SrcRate
|
|
0 Csoot-* 0.0242812 2.964615e-20
|
|
1 Csoot-H 0.975719 2.964615e-20
|
|
Sum of coverages = 1
|