Pressure vessel steel of composition Fe-0.24C-1.37Mn-0.52Mo-0.5Ni-0.23Si wt%, allowing ferrite, cementite and molybdenum carbide to exist. *** MULTIPHASE - Stage 1* Results *** Temperature = 923.0000 K Fixed pressure = 1.013250E+05 Pa, 1.000000E+00 atm Amount Gradient Lagrange multipliers 1 1.573663E-01 -4.046261E+04 2 1.692436E+03 -8.445051E+03 3 1.748389E+01 -4.143538E+04 4 1.821703E+00 -3.707019E+04 5 8.432594E+00 -4.637979E+04 6 9.685618E-02 -1.969507E+05 7 1.559576E+00 1.170169E+03 8 8.189279E+00 -1.495610E+05 9 4.637733E-01 -2.016308E+04 10 5.190067E+03 -9.665244E+03 11 4.583126E+01 -2.948996E+04 12 7.453309E+00 -6.248029E+04 13 4.302271E-01 -5.811511E+04 14 8.674522E-02 -6.742470E+04 15 1.793385E+01 -3.435029E+04 16 1.584062E+00 -1.426297E+05 17 -3.744078E+04 18 -1.049784E+04 19 -7.043111E+04 20 -6.606592E+04 21 -7.537552E+04 22 -1.785567E+05 23 -2.259464E+05 24 -2.782556E+04 25 -6.945834E+04 26 -9.665243E+03 27 -7.950817E+03 Gibbs/Helmholtz Energy contributions per phase BCC_A2 -6.68968238479055E+07 CEMENTITE -2.46413165770063E+06 CMo2 -2.25934235129799E+05 Amount Mole fraction mole Notional activity Phase BCC_A2 Cu:1 1.57366E-01 0.0000227 Fe:1 1.69244E+03 0.2445466 Mn:1 1.74839E+01 0.0025263 Mo:1 1.82170E+00 0.0002632 Ni:1 8.43259E+00 0.0012185 P:1 9.68562E-02 0.0000140 S:1 1.55958E+00 0.0002253 Si:1 8.18928E+00 0.0011833 C:2 4.63773E-01 0.0000670 Va:2 5.19007E+03 0.7499330 Phase total is 6.92071E+03 1.0000000 Phase CEMENTITE Fe:1 4.58313E+01 0.6388933 Mn:1 7.45331E+00 0.1039000 Mo:1 4.30227E-01 0.0059974 Ni:1 8.67452E-02 0.0012092 C:2 1.79338E+01 0.2500000 Phase total is 7.17354E+01 1.0000000 Stoichiometric phases CMo2 1.58406E+00 1.0000000 Component Ref.Phase Chem.Pot. Activity Amount/mol Mass/kg Fe -3.744078E+04 7.606689E-03 1.738267E+03 9.707700E+01 C -1.049784E+04 2.546354E-01 1.998168E+01 2.400000E-01 Mn -7.043111E+04 1.033347E-04 2.493720E+01 1.370000E+00 Mo -6.606592E+04 1.825054E-04 5.420054E+00 5.200000E-01 Ni -7.537552E+04 5.425479E-05 8.519339E+00 5.000000E-01 Si -1.785567E+05 7.858341E-11 8.189279E+00 2.300000E-01 P -2.259464E+05 1.634965E-13 9.685618E-02 3.000000E-03 S -2.782556E+04 2.662741E-02 1.559576E+00 5.000000E-02 Cu -6.945834E+04 1.172995E-04 1.573663E-01 1.000000E-02 Total 1.807128E+03 1.000000E+02 Number of Gibbs Energy evaluations in Stage 1 = 66 Estimate of Stage 1* calculational inaccuracy in species mole amount ni (ignoring inaccuracies in data) = Errabs + Errrel * ni where Errabs = 5.0E-06 Errrel = 9.6E-10 Percentage distribution of components between phases Fe C Mn BCC_A2 97.36339 2.32099 70.11169 CEMENTITE 2.63661 89.75144 29.88831 CMo2 0.00000 7.92757 0.00000 Mo Ni Si BCC_A2 33.61043 98.98178 100.00000 CEMENTITE 7.93769 1.01822 0.00000 CMo2 58.45188 0.00000 0.00000 P S Cu BCC_A2 100.00000 100.00000 100.00000 CEMENTITE 0.00000 0.00000 0.00000 CMo2 0.00000 0.00000 0.00000 Amount Phase Mole fraction of component within phase compnt moles Fe C Mn 1.7306E+03 BCC_A2 0.9779243 0.0002680 0.0101026 7.1735E+01 CEMENTITE 0.6388933 0.2500000 0.1039000 4.7522E+00 CMo2 0.0000000 0.3333333 0.0000000 Mo Ni Si 1.7306E+03 BCC_A2 0.0010526 0.0048725 0.0047319 7.1735E+01 CEMENTITE 0.0059974 0.0012092 0.0000000 4.7522E+00 CMo2 0.6666667 0.0000000 0.0000000 P S Cu 1.7306E+03 BCC_A2 0.0000560 0.0009012 0.0000909 7.1735E+01 CEMENTITE 0.0000000 0.0000000 0.0000000 4.7522E+00 CMo2 0.0000000 0.0000000 0.0000000 Mass/kg Phase Mass fraction of component within phase Fe C Mn 9.6446E+01 BCC_A2 0.9800015 0.0000578 0.0099592 3.2308E+00 CEMENTITE 0.7922357 0.0666723 0.1267403 3.2298E-01 CMo2 0.0000000 0.0589089 0.0000000 Mo Ni Si 9.6446E+01 BCC_A2 0.0018121 0.0051314 0.0023847 3.2308E+00 CEMENTITE 0.0127759 0.0015758 0.0000000 3.2298E-01 CMo2 0.9410911 0.0000000 0.0000000 P S Cu 9.6446E+01 BCC_A2 0.0000311 0.0005184 0.0001037 3.2308E+00 CEMENTITE 0.0000000 0.0000000 0.0000000 3.2298E-01 CMo2 0.0000000 0.0000000 0.0000000 Gibbs Energy = -6.9586889741E+07 J System Enthalpy = 3.7385809274E+07 J