

**** WARNING ****
For species SI2H6, discontinuity in s/R detected at Tmid = 1000
	Value computed using low-temperature polynomial:  49.5493.
	Value computed using high-temperature polynomial: 49.7214.


**** WARNING ****
For species SI3H8, discontinuity in s/R detected at Tmid = 1000
	Value computed using low-temperature polynomial:  65.9731.
	Value computed using high-temperature polynomial: 66.2781.


**** WARNING ****
For species SI2, discontinuity in s/R detected at Tmid = 1000
	Value computed using low-temperature polynomial:  32.8813.
	Value computed using high-temperature polynomial: 32.9489.
setInitialMoles:   Estimated Mole Fractions
  Temperature = 1500
  Pressure = 100
         H2            0.99671  
         H             0        
         HE            9.8684e-33
         SIH4          0        
         SI            0        
         SIH           0        
         SIH2          0        
         SIH3          0        
         H3SISIH       0        
         SI2H6         0        
         H2SISIH2      0        
         SI3H8         0        
         SI2           4.9705e-19
         SI3           0.0032895
      Element_Name   ElementGoal  ElementMF
      Si            0.0049261 0.0049261
      H             0.99507   0.99507  
      He            0         4.9261e-33
isp = 0, H2
isp = 13, SI3
isp = 2, HE
Pressure = 100
Temperature = 1500
  id       Name     MF     mu/RT 
         0              H2    0.99671    -25.526
         1               H      1e-20    -51.327
         2              HE      1e-08    -42.537
         3            SIH4      1e-20     -80.97
         4              SI      1e-20    -39.126
         5             SIH      1e-20    -47.463
         6            SIH2      1e-20    -60.165
         7            SIH3      1e-20    -68.327
         8         H3SISIH      1e-20    -71.278
         9           SI2H6      1e-20    -90.763
        10        H2SISIH2      1e-20    -74.518
        11           SI3H8      1e-20    -101.54
        12             SI2 4.9705e-19    -32.978
        13             SI3  0.0032895     0.3587
 id      CompSpecies      ChemPot       EstChemPot       Diff
  0               H2     -25.526      -25.526            0
  1              SI3      0.3587       0.3587            0
  2               HE     -42.537      -42.537            0
 id    ElName  Lambda_RT
   0      Si     0.11957
   1       H     -12.763
   2      He     -42.537
estimateEP_Brinkley::

temp = 1500
pres = 100
Initial mole numbers and mu_SS:
         Name           MoleNum        mu_SS   actCoeff
             H2        0.99671        -25.523             1
              H          1e-20        -5.2748             1
             HE          1e-08        -24.116             1
           SIH4          1e-20        -34.919             1
             SI          1e-20         6.9258             1
            SIH          1e-20        -1.4113             1
           SIH2          1e-20        -14.113             1
           SIH3          1e-20        -22.275             1
        H3SISIH          1e-20        -25.226             1
          SI2H6          1e-20        -44.712             1
       H2SISIH2          1e-20        -28.466             1
          SI3H8          1e-20        -55.486             1
            SI2     4.9705e-19         9.1674             1
            SI3      0.0032895         6.0757             1
Initial n_t =     1.0018
Comparison of Goal Element Abundance with Initial Guess:
  eName       eCurrent       eGoal
   Si       0.0098684      0.0049261
    H          1.9934        0.99507
   He           1e-08              0
START ITERATION 0:
        Species: Calculated_Moles Calculated_Mole_Fraction
             H2:    0.99853    0.99489
              H: 0.00056058 0.00055854
             HE: 4.1252e-77 4.1102e-77
           SIH4:  1.111e-07  1.107e-07
             SI:  0.0011089  0.0011048
            SIH: 1.3263e-05 1.3215e-05
           SIH2: 1.2477e-05 1.2432e-05
           SIH3: 1.2525e-07  1.248e-07
        H3SISIH: 7.7288e-12 7.7007e-12
          SI2H6: 1.8395e-14 1.8329e-14
       H2SISIH2: 1.9734e-10 1.9663e-10
          SI3H8: 8.1273e-21 8.0977e-21
            SI2: 0.00013283 0.00013234
            SI3:  0.0032955  0.0032835
Total Molar Sum:     1.0037
(iter 0) element moles bal:   Goal  Calculated
                    Si:  0.0049261   0.011287 
                     H:    0.99507     1.9977 
                    He:          0 4.1252e-77 
 Lump Sum Elements Calculation: 
                  Si   0 :     3     13
                   H   0 :     0      7
                  He   1 :    -1     -1
 NOTE: Diagonalizing the analytical Jac row 2
Matrix:
       [   0.031325 3.9039e-05          0   0.011287]  =   -0.0063608
       [ 3.9039e-05     3.9947          0     1.9977]  =      -1.0026
       [          0          0          1 4.1252e-77]  =           -1
       [   0.011287     1.9977 4.1252e-77          0]  =   -0.0018282
(it 0) Convergence = 2.68247
Row Summed Matrix:
       [    0.73445 0.00091531          0    0.26463]  =     -0.14913
       [ 6.5148e-06    0.66663          0    0.33336]  =     -0.16731
       [          0          0          1 4.1252e-77]  =           -1
       [  0.0056183    0.99438 2.0534e-77          0]  =   -0.00091004
Lump summing row 2, due to rank deficiency analysis
Row Summed, MODIFIED Matrix:
       [    0.73445 0.00091531          0    0.26463]  =     -0.14913
       [ 6.5148e-06    0.66663          0    0.33336]  =     -0.16731
       [          0          0          1 4.1252e-77]  =           -1
       [  0.0056183    0.99438 2.0534e-77          0]  =   -0.00091004
(it 0)    OLD_SOLUTION  NEW SOLUTION    (undamped updated)
        Si      0.11957     0.096778    -0.022788
         H      -12.763      -12.764   -0.00078643
        He         -200         -201           -1
       n_t        1.0018      0.60745     0.60634 
START ITERATION 1:
        Species: Calculated_Moles Calculated_Mole_Fraction
             H2:     0.6045    0.99513
              H: 0.00033964 0.00055911
             HE: 9.2017e-78 1.5148e-77
           SIH4:  6.564e-08 1.0806e-07
             SI:  0.0006572  0.0010819
            SIH: 7.8547e-06 1.2931e-05
           SIH2: 7.3834e-06 1.2155e-05
           SIH3: 7.4059e-08 1.2192e-07
        H3SISIH: 4.4635e-12 7.3478e-12
          SI2H6: 1.0607e-14 1.7461e-14
       H2SISIH2: 1.1397e-10 1.8762e-10
          SI3H8: 4.5734e-21 7.5288e-21
            SI2:  7.695e-05 0.00012668
            SI3:  0.0018662  0.0030721
Total Molar Sum:    0.60746
(iter 1) element moles bal:   Goal  Calculated
                    Si:  0.0049261  0.0064249 
                     H:    0.99507     1.2094 
                    He:          0 9.2017e-78 
 Lump Sum Elements Calculation: 
                  Si   0 :     3     13
                   H   0 :     0      7
                  He   1 :    -1     -1
 NOTE: Diagonalizing the analytical Jac row 2
Matrix:
       [   0.017776 2.3107e-05          0  0.0064249]  =   -0.0014988
       [ 2.3107e-05     2.4184          0     1.2094]  =     -0.21429
       [          0          0          1 9.2017e-78]  =           -1
       [  0.0064249     1.2094 9.2017e-78          0]  =   -5.5737e-06
(it 1) Convergence = 0.138952
Row Summed Matrix:
       [    0.73381 0.00095391          0    0.26523]  =    -0.061874
       [ 6.3695e-06    0.66663          0    0.33336]  =     -0.05907
       [          0          0          1 9.2017e-78]  =           -1
       [  0.0052846    0.99472 7.5685e-78          0]  =   -4.5844e-06
Lump summing row 2, due to rank deficiency analysis
Row Summed, MODIFIED Matrix:
       [    0.73381 0.00095391          0    0.26523]  =    -0.061874
       [ 6.3695e-06    0.66663          0    0.33336]  =     -0.05907
       [          0          0          1 9.2017e-78]  =           -1
       [  0.0052846    0.99472 7.5685e-78          0]  =   -4.5844e-06
(it 1)    OLD_SOLUTION  NEW SOLUTION    (undamped updated)
        Si     0.096778     0.076579    -0.020199
         H      -12.764      -12.764    0.0001027
        He         -201         -202           -1
       n_t       0.60745      0.50871     0.83745 
START ITERATION 2:
        Species: Calculated_Moles Calculated_Mole_Fraction
             H2:    0.50634    0.99534
              H: 0.00028446 0.00055917
             HE: 2.8349e-78 5.5726e-78
           SIH4: 5.3893e-08 1.0594e-07
             SI: 0.00053937  0.0010603
            SIH:  6.447e-06 1.2673e-05
           SIH2: 6.0608e-06 1.1914e-05
           SIH3: 6.0799e-08 1.1952e-07
        H3SISIH: 3.5914e-12 7.0598e-12
          SI2H6: 8.5363e-15  1.678e-14
       H2SISIH2: 9.1701e-11 1.8026e-10
          SI3H8: 3.6078e-21  7.092e-21
            SI2:  6.189e-05 0.00012166
            SI3:  0.0014709  0.0028915
Total Molar Sum:    0.50871
(iter 2) element moles bal:   Goal  Calculated
                    Si:  0.0049261  0.0050885 
                     H:    0.99507      1.013 
                    He:          0 2.8349e-78 
 Lump Sum Elements Calculation: 
                  Si   0 :     3     13
                   H   0 :     0      7
                  He   1 :    -1     -1
 NOTE: Diagonalizing the analytical Jac row 2
Matrix:
       [   0.014038 1.8967e-05          0  0.0050885]  =   -0.0001624
       [ 1.8967e-05     2.0257          0      1.013]  =    -0.017912
       [          0          0          1 2.8349e-78]  =           -1
       [  0.0050885      1.013 2.8349e-78          0]  =   -2.9889e-06
(it 2) Convergence = 0.0014108
Row Summed Matrix:
       [    0.73322 0.00099071          0    0.26578]  =   -0.0084823
       [  6.242e-06    0.66663          0    0.33336]  =   -0.0058947
       [          0          0          1 2.8349e-78]  =           -1
       [  0.0049982      0.995 2.7845e-78          0]  =   -2.9359e-06
Lump summing row 2, due to rank deficiency analysis
Row Summed, MODIFIED Matrix:
       [    0.73322 0.00099071          0    0.26578]  =   -0.0084823
       [  6.242e-06    0.66663          0    0.33336]  =   -0.0058947
       [          0          0          1 2.8349e-78]  =           -1
       [  0.0049982      0.995 2.7845e-78          0]  =   -2.9359e-06
(it 2)    OLD_SOLUTION  NEW SOLUTION    (undamped updated)
        Si     0.076579     0.071437   -0.0051423
         H      -12.764      -12.764    2.288e-05
        He         -202         -203           -1
       n_t       0.50871      0.49977     0.98243 
START ITERATION 3:
        Species: Calculated_Moles Calculated_Mole_Fraction
             H2:    0.49747    0.99539
              H: 0.00027946 0.00055919
             HE: 1.0246e-78 2.0501e-78
           SIH4: 5.2679e-08 1.0541e-07
             SI: 0.00052717  0.0010548
            SIH: 6.3014e-06 1.2609e-05
           SIH2:  5.924e-06 1.1854e-05
           SIH3: 5.9429e-08 1.1891e-07
        H3SISIH: 3.4925e-12 6.9883e-12
          SI2H6: 8.3016e-15 1.6611e-14
       H2SISIH2: 8.9176e-11 1.7843e-10
          SI3H8: 3.4908e-21 6.9847e-21
            SI2:  6.018e-05 0.00012042
            SI3:  0.0014229  0.0028472
Total Molar Sum:    0.49977
(iter 3) element moles bal:   Goal  Calculated
                    Si:  0.0049261  0.0049287 
                     H:    0.99507    0.99523 
                    He:          0 1.0246e-78 
 Lump Sum Elements Calculation: 
                  Si   0 :     3     13
                   H   0 :     0      7
                  He   1 :    -1     -1
 NOTE: Diagonalizing the analytical Jac row 2
Matrix:
       [   0.013587 1.8539e-05          0  0.0049287]  =   -2.5901e-06
       [ 1.8539e-05     1.9902          0    0.99523]  =   -0.00015744
       [          0          0          1 1.0246e-78]  =           -1
       [  0.0049287    0.99523 1.0246e-78          0]  =   -1.8195e-07
(it 3) Convergence = 3.01497e-07
Row Summed Matrix:
       [    0.73307  0.0010003          0    0.26593]  =   -0.00013975
       [ 6.2099e-06    0.66663          0    0.33336]  =   -5.2735e-05
       [          0          0          1 1.0246e-78]  =           -1
       [  0.0049279    0.99507 1.0244e-78          0]  =   -1.8192e-07
Lump summing row 2, due to rank deficiency analysis
Row Summed, MODIFIED Matrix:
       [    0.73307  0.0010003          0    0.26593]  =   -0.00013975
       [ 6.2099e-06    0.66663          0    0.33336]  =   -5.2735e-05
       [          0          0          1 1.0246e-78]  =           -1
       [  0.0049279    0.99507 1.0244e-78          0]  =   -1.8192e-07
(it 3)    OLD_SOLUTION  NEW SOLUTION    (undamped updated)
        Si     0.071437     0.071304   -0.00013291
         H      -12.764      -12.764   4.7538e-07
        He         -203         -204           -1
       n_t       0.49977      0.49969     0.99984 
START ITERATION 4:
        Species: Calculated_Moles Calculated_Mole_Fraction
             H2:    0.49739    0.99539
              H: 0.00027942 0.00055919
             HE: 3.7685e-79 7.5418e-79
           SIH4: 5.2664e-08 1.0539e-07
             SI: 0.00052702  0.0010547
            SIH: 6.2996e-06 1.2607e-05
           SIH2: 5.9223e-06 1.1852e-05
           SIH3: 5.9411e-08  1.189e-07
        H3SISIH:  3.491e-12 6.9864e-12
          SI2H6: 8.2981e-15 1.6606e-14
       H2SISIH2: 8.9138e-11 1.7839e-10
          SI3H8: 3.4888e-21  6.982e-21
            SI2: 6.0155e-05 0.00012038
            SI3:  0.0014222  0.0028461
Total Molar Sum:    0.49969
(iter 4) element moles bal:   Goal  Calculated
                    Si:  0.0049261  0.0049261 
                     H:    0.99507    0.99507 
                    He:          0 3.7685e-79 
 Lump Sum Elements Calculation: 
                  Si   0 :     3     13
                   H   0 :     0      7
                  He   1 :    -1     -1
 NOTE: Diagonalizing the analytical Jac row 2
Matrix:
       [   0.013579 1.8534e-05          0  0.0049261]  =   -6.9801e-10
       [ 1.8534e-05     1.9899          0    0.99507]  =   -1.2452e-08
       [          0          0          1 3.7685e-79]  =           -1
       [  0.0049261    0.99507 3.7685e-79          0]  =   -1.2019e-10
(it 4) Convergence = 2.02486e-14
 ChemEquil::estimateEP_Brinkley() SUCCESS: equilibrium found at T = 1500, Pres = 100
Residual:      ElFracGoal     ElFracCurrent     Resid
                4.9261084E-03  4.9261090E-03    -6.30127E-10
                9.9507389E-01  9.9507389E-01     3.17397E-10
                0.0000000E+00  0.0000000E+00     0.00000E+00
               Goal           Xvalue          Resid
      XX   :    1.5000000E+03  1.5000000E+03     0.00000E+00
      YY(1):    1.0000000E+02  1.0000000E+02     2.40535E-10
Residual:      ElFracGoal     ElFracCurrent     Resid
                4.9261084E-03  4.9261090E-03    -6.30127E-10
                9.9507389E-01  9.9507389E-01     3.17397E-10
                0.0000000E+00  0.0000000E+00     0.00000E+00
               Goal           Xvalue          Resid
      XX   :    1.5000000E+03  1.5000000E+03     0.00000E+00
      YY(1):    1.0000000E+02  1.0000000E+02     2.40535E-10
Residual:      ElFracGoal     ElFracCurrent     Resid
                4.9261084E-03  4.9261090E-03    -6.30127E-10
                9.9507389E-01  9.9507389E-01     3.17397E-10
                0.0000000E+00  0.0000000E+00     0.00000E+00
               Goal           Xvalue          Resid
      XX   :    1.5000000E+03  1.5000000E+03     0.00000E+00
      YY(1):    1.0000000E+02  1.0000000E+02     2.40535E-10
Residual:      ElFracGoal     ElFracCurrent     Resid
                4.9261084E-03  4.9261091E-03    -7.26002E-10
                9.9507389E-01  9.9507389E-01     3.65690E-10
                0.0000000E+00  0.0000000E+00     0.00000E+00
               Goal           Xvalue          Resid
      XX   :    1.5000000E+03  1.5000000E+03     0.00000E+00
      YY(1):    1.0000000E+02  1.0000000E+02     3.10829E-10
Residual:      ElFracGoal     ElFracCurrent     Resid
                4.9261084E-03  4.9260965E-03     1.17966E-08
                9.9507389E-01  9.9507390E-01    -5.94199E-09
                0.0000000E+00  0.0000000E+00     0.00000E+00
               Goal           Xvalue          Resid
      XX   :    1.5000000E+03  1.5000000E+03     0.00000E+00
      YY(1):    1.0000000E+02  1.0000025E+02     2.54202E-06
Residual:      ElFracGoal     ElFracCurrent     Resid
                4.9261084E-03  4.9261090E-03    -6.30127E-10
                9.9507389E-01  9.9507389E-01     3.17397E-10
                0.0000000E+00  0.0000000E+00     1.00000E-04
               Goal           Xvalue          Resid
      XX   :    1.5000000E+03  1.5000000E+03     0.00000E+00
      YY(1):    1.0000000E+02  1.0000000E+02     2.40535E-10
Residual:      ElFracGoal     ElFracCurrent     Resid
                4.9261084E-03  4.9262944E-03    -1.85097E-07
                9.9507389E-01  9.9507371E-01     9.32343E-08
                0.0000000E+00  0.0000000E+00     0.00000E+00
               Goal           Xvalue          Resid
      XX   :    1.5000000E+03  1.5000011E+03     7.31322E-07
      YY(1):    1.0000000E+02  1.0000023E+02     2.27943E-06
Jacobian matrix 1:
      [  -0.013446  0.0097359          0   -0.25224  ]x_Si         =  - (-6.3013e-10)
      [  0.0098584     1.9914          0     3.1165  ]x_YY         =  - (2.4054e-10)
      [          0          0          1          0  ]x_He         =  - (         0)
      [          0          0          0          1  ]x_XX         =  - (         0)
Solution Unknowns: damp = 1
            X_new      X_old       Step
      0.071304     0.071304     -4.6783e-08
     -12.764      -12.764        1.1081e-10
     -1000        -1000          0        
      7.3132       7.3132        0        
Residual:      ElFracGoal     ElFracCurrent     Resid
                4.9261084E-03  4.9261084E-03     4.44089E-16
                9.9507389E-01  9.9507389E-01    -1.11022E-16
                0.0000000E+00  0.0000000E+00     0.00000E+00
               Goal           Xvalue          Resid
      XX   :    1.5000000E+03  1.5000000E+03     0.00000E+00
      YY(1):    1.0000000E+02  1.0000000E+02     1.42139E-16
 
  silane:
 
       temperature            1500  K
          pressure             100  Pa
           density      1.8314e-05  kg/m^3
  mean mol. weight         2.28407  amu
 
                          1 kg            1 kmol
                       -----------      ------------
          enthalpy     1.70171e+07        3.887e+07     J
   internal energy     1.15568e+07         2.64e+07     J
           entropy          103868        2.372e+05     J/K
    Gibbs function    -1.38785e+08        -3.17e+08     J
 heat capacity c_p         14161.9        3.235e+04     J/K
 heat capacity c_v         10521.7        2.403e+04     J/K
 
                           X                 Y          Chem. Pot. / RT    
                     -------------     ------------     ------------
                H2       0.995395         0.878516         -25.5277
                 H    0.000559189      0.000246765         -12.7639
                HE              0                0     
              SIH4    1.05394e-07      1.48198e-06         -50.9842
                SI     0.00105469        0.0129687        0.0713036
               SIH     1.2607e-05      0.000160581         -12.6926
              SIH2     1.1852e-05      0.000156195         -25.4564
              SIH3    1.18896e-07      1.61938e-06         -38.2203
           H3SISIH    6.98642e-12      1.84145e-10         -50.9129
             SI2H6    1.66065e-14      4.52364e-13         -76.4406
          H2SISIH2    1.78387e-10      4.70187e-09         -50.9129
             SI3H8    6.98199e-21      2.82205e-19         -101.897
               SI2    0.000120384       0.00296054         0.142607
               SI3     0.00284607         0.104988         0.213911

