H.3: FEC.DAT

Directory

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                      



Data-file

 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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