Contents of data-file fec.dat System components: 1: Fe 2: C Phases: 1: GAS 2: LIQUID 3: BCC_A2 4: FCC_A1 5: C_GRAPHITE 6: Fe3C_CEMENTITE Phase constituents of mixture phases: Phase: GAS Model: IDMX Status: ENTERED 1: C 2: C2 3: C3 4: C4 5: C5 6: C6 7: C7 8: Fe Phase: LIQUID Model: RKMP Status: ENTERED 1: C 2: Fe Phase: BCC_A2 Model: SUBLM Status: ENTERED 1: Fe:C 2: Fe:Va Phase: FCC_A1 Model: RKMPM Status: ENTERED 1: FeC 2: Fe
Fe-C See commentary below ! GTT 09/11/98 SSL92N05 2 4 8 2 2 2 2 Fe C 55.8470 12.0110 6 1 2 3 4 5 6 4 1 2 3 4 GAS IDMX C 4 2 0.0 1.0 3000.0000 710400.00 -17.077222 -21.054000 0.25309000E-03 -.38666700E-07 3707.6000 1 0.00000000 0.0 6000.0000 713129.05 -38.618592 -18.170000 -.73850000E-03 0.17796700E-07 75203.000 1 0.00000000 0.0 C2 4 3 0.0 2.0 400.00000 809200.49 474.13666 -92.200716 0.86155380E-01 -.23101541E-04 476557.60 1 0.00000000 0.0 1600.0000 828935.55 82.995371 -28.598477 -.36201851E-02 0.23011303E-06 -657802.20 1 0.00000000 0.0 6000.0000 820236.64 137.47883 -35.901230 -.72968960E-03 0.10299613E-08 1372216.0 1 0.00000000 0.0 C3 4 3 0.0 3.0 1200.0000 833687.45 97.202195 -35.052715 -.12125148E-01 0.12964236E-05 -59322.844 1 0.00000000 0.0 3800.0000 807138.57 322.40377 -66.622669 0.47850316E-02 -.42562298E-06 4179196.8 1 0.00000000 0.0 6000.0000 1044778.6 -608.06348 48.889622 -.19275960E-01 0.49025880E-06 -82501748. 1 0.00000000 0.0 C4 4 3 0.0 4.0 1200.0000 1003706.3 204.70568 -52.057328 -.18956030E-01 0.18511236E-05 199317.39 1 0.00000000 0.0 4400.0000 973125.87 452.52662 -86.585370 -.10813130E-02 0.51440188E-07 5399339.0 1 0.00000000 0.0 6000.0000 761565.21 1007.2673 -152.03819 0.81392607E-02 -.19964026E-06 0.13586479E+09 1 0.00000000 0.0 C5 4 4 0.0 5.0 1000.0000 1020031.2 278.54107 -64.503473 -.26696066E-01 0.29275580E-05 299459.34 1 0.00000000 0.0 2200.0000 993156.23 570.71476 -107.07986 0.27493482E-02 -.82689020E-06 3417001.7 1 0.00000000 0.0 3800.0000 1142512.8 -294.09095 6.7835192 -.35082756E-01 0.14932061E-05 -32394323. 1 0.00000000 0.0 6000.0000 445025.44 2102.1813 -286.10485 0.19510557E-01 -.41218955E-06 0.27869886E+09 1 0.00000000 0.0 C6 4 3 0.0 6.0 1000.0000 1246184.9 311.98451 -74.835861 -.37038337E-01 0.40882770E-05 241241.07 1 0.00000000 0.0 2800.0000 1200861.1 731.55484 -134.46246 -.19671766E-02 0.18033180E-06 6717468.5 1 0.00000000 0.0 6000.0000 1214236.9 736.70494 -136.25991 0.66676224E-03 -.38766155E-07 -3611507.5 1 0.00000000 0.0 C7 4 4 0.0 7.0 1000.0000 1317471.1 445.39667 -98.716041 -.31425961E-01 0.26642952E-05 404461.00 1 0.00000000 0.0 2000.0000 1351184.3 237.07793 -71.712505 -.36116999E-01 0.18958680E-05 -6064281.2 1 0.00000000 0.0 3600.0000 1036356.3 1692.1807 -256.70179 0.99385272E-02 -.10190411E-06 91042911. 1 0.00000000 0.0 6000.0000 1158858.1 1431.4995 -227.61127 0.88048096E-02 -.21646063E-06 13357757. 1 0.00000000 0.0 Fe 4 3 1.0 0.0 950.00000 406417.00 36.785878 -33.007900 0.92758000E-02 -.13799600E-05 112882.00 1 0.00000000 0.0 2350.0000 415082.70 -53.396222 -19.902900 0.13565300E-03 -.13883100E-06 -996892.00 1 0.00000000 0.0 6000.0000 407130.10 -32.854222 -22.159400 -.14191800E-03 -.68989700E-07 2445910.0 1 0.00000000 0.0 LIQUID RKMP C 4 1 0.0 1.0 6000.0000 100000.56 146.10000 -24.300000 -.47230000E-03 0.00000000 2562600.0 2 -.26430000E+09 -2.0 0.12000000E+11 -3.0 Fe 4 2 1.0 0.0 1811.0000 13265.870 117.57557 -23.514300 -.43975200E-02 -.58927000E-07 77359.000 1 -.36751551E-20 7.0 6000.0000 -10838.830 291.30200 -46.000000 0.00000000 0.00000000 0.00000000 1 0.00000000 0.0 2 1 2 3 -124320.00 28.500000 0.00000000 0.00000000 19300.000 0.00000000 0.00000000 0.00000000 49260.000 -19.000000 0.00000000 0.00000000 0 BCC_A2 SUBLM 1.00000 0.400000 Fe:C 16 2 1.0 3.0 1811.0000 271170.38 711.99100 -96.414300 -.58144200E-02 -.58927000E-07 7765159.0 2 -.79290000E+09 -2.0 0.36000000E+11 -3.0 6000.0000 244561.10 887.16955 -118.90000 -.14169000E-02 0.00000000 7687800.0 3 0.22960300E+32 -9.0 -.79290000E+09 -2.0 0.36000000E+11 -3.0 1043.00 2.22000 Fe:Va 16 2 1.0 0.0 1811.0000 1225.7000 124.13400 -23.514300 -.43975200E-02 -.58927000E-07 77359.000 1 0.00000000 0.0 6000.0000 -25383.581 299.31255 -46.000000 0.00000000 0.00000000 0.00000000 1 0.22960300E+32 -9.0 1043.00 2.22000 2 1.00000 3.00000 1 2 Fe C Va 1 1 1 2 0 3 1 2 3 1 0.00000000 -190.00000 0.00000000 0.00000000 0 FCC_A1 RKMPM 0.333333 0.280000 FeC 16 2 1.0 1.0 1811.0000 59601.859 287.26900 -48.964300 -.42298200E-02 -.58927000E-07 2639959.0 2 -.26430000E+09 -2.0 0.12000000E+11 -3.0 6000.0000 32741.163 455.10556 -70.300000 -.47230000E-03 0.00000000 2562600.0 3 0.27885400E+32 -9.0 -.26430000E+09 -2.0 0.12000000E+11 -3.0 -201.000 -2.10000 Fe 16 2 1.0 0.0 1811.0000 -236.70000 132.41600 -24.664300 -.37575200E-02 -.58927000E-07 77359.000 1 0.00000000 0.0 6000.0000 -27097.396 300.25256 -46.000000 0.00000000 0.00000000 0.00000000 1 0.27885400E+32 -9.0 -201.000 -2.10000 0 2 1 2 1 -34671.000 0.00000000 0.00000000 0.00000000 0 C_GRAPHITE 4 1 0.0 1.0 6000.0000 -17368.441 170.73000 -24.300000 -.47230000E-03 0.00000000 2562600.0 2 -.26430000E+09 -2.0 0.12000000E+11 -3.0 Fe3C_CEMENTITE 4 1 3.0 1.0 6000.0000 -10745.000 706.04000 -120.60000 0.00000000 0.00000000 0.00000000 1 0.00000000 0.0 ############################################################################# Date : 12.11.1998 Originator : KH Serial No : FEC.DAT Quality Status : A ChemSage Vers. : 4.0 Temperatures : RT to 2500K Compositions : All Applications : Phase equilibria; phase diagram, also metastable with CEMENTITE; thermodynamic properties of the phases and their constituents as well as the system components. Sources of data Unary : 91Din Binary : 85Gus Species and interaction list: GAS NOTE: The GAS phase is treated as an ideal mixture. IDMX However, the speciation of the carbon is treated C such that the calculated vapour pressures are C2 for a proper gas. C3 C4 C5 C6 C7 Fe LIQUID NOTE: The LIQUID phase is treated as a simple RKMP substitutional solution with the elements C as phase constituents. Fe Interaction term is available for: C-Fe BCC_A2 NOTE: The BCC_A2 phase is described with a two- SUBLM sublattice model, the metal sublattice Fe:C being occupied by Fe only, and the inter- Fe:Va stitial site by C or vacancies. Sublattice occupancy: Metal Sublattice: Fe Interstitial sites: C, Va Site ratio is: (Fe)1(C,Va)3 Interaction term is available for: Fe:C,Va This is a non-ideal term for interaction between carbon and vacancies in the presence of iron. FCC_A1 NOTE: The representation of FCC_A1 as an RKMPM Associated Solution with FeC and Fe FeC as constituents is mathematically Fe exactly equal to the Sublattice Description FeC-Fe that is used in higher order systems. The ChemAccess software however recognizes that (Fe)1(C,Va)1 is mathematically the same as FeC-Fe and therefore uses the simple RKMPM (Redlich-Kister with Magnetic Terms) formalism. Stoichiometric Pure Substances C_GRAPHITE NOTE: Carbon as GRAPHITE and Fe3C (Cementite) are Fe3C_CEMENTITE the stoichiometric solid phases in this system. In order to calculate metastable equilibria involving Fe3C the C_GRAPHITE phase must be set DORMANT. References : 85Gus Gustafson,P. Scan.J.Metall. Vol 14, 1985, p259-267 91Din Dinsdale,A.T. CALPHAD, Vol 15(4), 1991, p317-427 ###########################################################################
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