Contents of data-file subl-ex.dat System components: 1: Co 2: Cr 3: Fe Phases: 1: BCC#1 2: BCC#2 3: SIGMA:30#1 4: SIGMA:30#2 Phase constituents of mixture phases: Phase: BCC#1 Model: RKMP Status: ENTERED 1: Co 2: Cr 3: Fe Phase: BCC#2 Model: RKMP Status: ENTERED 1: Co 2: Cr 3: Fe Phase: SIGMA:30#1 Model: SUBL Status: ENTERED 1: Co:Cr:Co 2: Co:Cr:Cr 3: Co:Cr:Fe 4: Fe:Cr:Co 5: Fe:Cr:Cr 6: Fe:Cr:Fe Phase: SIGMA:30#2 Model: SUBL Status: ENTERED 1: Co:Cr:Co 2: Co:Cr:Cr 3: Co:Cr:Fe 4: Fe:Cr:Co 5: Fe:Cr:Cr 6: Fe:Cr:Fe
Co-Cr-Fe See commentary below! GTT July 1999 3 5 0 3 3 6 6 0 Co Cr Fe 58.9332 51.9960 55.8470 4 1 2 4 5 4 1 2 4 5 BCC RKMP Co 1 1 1.0 0.0 0.0 2000.0000 6953.1800 0.00000000 -.63137000E-02 0.28037000E-05 Cr 1 1 0.0 1.0 0.0 2000.0000 0.00000000 0.00000000 0.00000000 0.00000000 Fe 1 1 0.0 0.0 1.0 2000.0000 0.00000000 0.00000000 0.00000000 0.00000000 2 1 2 3 30965.780 -27.614000 0.00000000 0.00000000 11865.820 8.2801000 0.00000000 0.00000000 20145.960 0.00000000 0.00000000 0.00000000 2 1 3 2 -38417.500 0.00000000 0.46870000E-01 -.19131800E-04 -1472.7700 0.00000000 -.31652000E-02 0.25690000E-05 2 2 3 2 25104.000 -11.427300 0.00000000 0.00000000 0.00000000 -1.2041600 0.00000000 0.00000000 3 1 2 3 3 -16736.000 12.552000 0.00000000 0.00000000 -16736.000 12.552000 0.00000000 0.00000000 -16736.000 12.552000 0.00000000 0.00000000 0 BCC RKMP Co 1 1 1.0 0.0 0.0 2000.0000 6953.1800 0.00000000 -.63137000E-02 0.28037000E-05 Cr 1 1 0.0 1.0 0.0 2000.0000 0.00000000 0.00000000 0.00000000 0.00000000 Fe 1 1 0.0 0.0 1.0 2000.0000 0.00000000 0.00000000 0.00000000 0.00000000 2 1 2 3 30965.780 -27.614000 0.00000000 0.00000000 11865.820 8.2801000 0.00000000 0.00000000 20145.960 0.00000000 0.00000000 0.00000000 2 1 3 2 -38417.500 0.00000000 0.46870000E-01 -.19131800E-04 -1472.7700 0.00000000 -.31652000E-02 0.25690000E-05 2 2 3 2 25104.000 -11.427300 0.00000000 0.00000000 0.00000000 -1.2041600 0.00000000 0.00000000 3 1 2 3 3 -16736.000 12.552000 0.00000000 0.00000000 -16736.000 12.552000 0.00000000 0.00000000 -16736.000 12.552000 0.00000000 0.00000000 0 SIGMA:30 SUBL Co:Cr:Co 1 1 .8667 .1333 0.0 2000.0000 11293.367 -5.0583333 0.00000000 0.00000000 Co:Cr:Cr 1 1 .3333 .6667 0.0 2000.0000 -207.30000 -6.8573333 0.00000000 0.00000000 Co:Cr:Fe 1 1 .3333 .1333 .5334 2000.0000 2998.5333 0.00000000 0.00000000 0.00000000 Fe:Cr:Co 1 1 .5334 .1333 .3333 2000.0000 -5112.1667 0.00000000 0.00000000 0.00000000 Fe:Cr:Cr 1 1 0.0 .6667 .3333 2000.0000 4841.3333 -5.3766667 0.00000000 0.00000000 Fe:Cr:Fe 1 1 0.0 .1333 .8667 2000.0000 4040.6667 -1.9005667 0.00000000 0.00000000 3 0.333333 0.133333 0.533334 2 1 3 Co Fe Cr Co Cr Fe 1 1 1 2 2 2 1 1 1 1 1 1 1 2 3 1 2 3 0 SIGMA:30 SUBL Co:Cr:Co 1 1 .8667 .1333 0.0 2000.0000 11293.367 -5.0583333 0.00000000 0.00000000 Co:Cr:Cr 1 1 .3333 .6667 0.0 2000.0000 -207.30000 -6.8573333 0.00000000 0.00000000 Co:Cr:Fe 1 1 .3333 .1333 .5334 2000.0000 2998.5333 0.00000000 0.00000000 0.00000000 Fe:Cr:Co 1 1 .5334 .1333 .3333 2000.0000 -5112.1667 0.00000000 0.00000000 0.00000000 Fe:Cr:Cr 1 1 0.0 .6667 .3333 2000.0000 4841.3333 -5.3766667 0.00000000 0.00000000 Fe:Cr:Fe 1 1 0.0 .1333 .8667 2000.0000 4040.6667 -1.9005667 0.00000000 0.00000000 3 0.333333 0.133333 0.533334 2 1 3 Co Fe Cr Co Cr Fe 1 1 1 2 2 2 1 1 1 1 1 1 1 2 3 1 2 3 0 ########################################################################### Date : July 1999 Originator : KH Serial No : SUBL-EX.DAT Quality Status : B ChemSage Vers. : 4.0 Temperatures : 900 - 1200 K Compositions : Iron rich or chromium rich Applications : SIGMA-BCC equilibria This file serves as an example of input for substitutional solutions (BCC) described with the RKMP model and a multi-sublattice phase (SIGMA) with three sublattices and 30 atoms to the unit cell. It also serves as a data-file for examples on how to get compositional data for sublattice constituents or overall mole fractions in case of a multi- sublattice phase when using ChemApp. Note the scaling of the SIGMA phase (division of stoichio- metries and Gibbs energy coefficients by 30) to obtain equal size of all phases. See also the ChemSage and ChemApp handbooks. NOTE the change of the compound names in the SIGMA phase according to the SGTE notation for sublattice phases. Old name New name (Co26Cr4):30 Co:Cr:Co (Co10Cr20):30 Co:Cr:Cr (Co10Cr4Fe16):30 Co:Cr:Fe (Co16Cr4Fe10):30 Fe:Cr:Co (Cr20Fe10):30 Fe:Cr:Cr (Cr4Fe26):30 Fe:Cr:Fe Sources of data: Unary : 81Zha Binary : 81Zha References : 81Zha Zhangpeng, J.; Jansson, B.: TRITA-MAC-0189, RIT, Stockholm, May 1981 ###########################################################################
ChemApp Programmer's Manual, Edition 3.6 | © GTT-Technologies, 2003 |