C:\jamie\perplex_f90>build NO is the default () answer to all Y/N prompts Enter name of computational option file to be created, < 100 characters, left justified [default = in]: in7.dat Enter thermodynamic data file name, left justified, [default = hp98ver.dat]: sup92ver.dat The current data base components are: NA2O MGO AL2O3 SIO2 K2O CAO TIO2 MNO FEO O2 H2O CO2 S2 F CL CUO PBO ZNO BAO ZRO2 NIO SNO AGO SRO HGO Transform them (Y/N)? y Enter new component name, < 6 characters, left justified: Ni Enter old component to be replaced with Ni : NIO Enter other components (< 12) in Ni 1 per line, to finish: O2 Enter stoichiometric coefficients of: NIO O2 in Ni (in above order): 1 -0.5 Ni = 1.00 NIO -0.50 O2 Is this correct (Y/N)? y The current data base components are: NA2O MGO AL2O3 SIO2 K2O CAO TIO2 MNO FEO O2 H2O CO2 S2 F CL CUO PBO ZNO BAO ZRO2 Ni SNO AGO SRO HGO Transform them (Y/N)? y Enter new component name, < 6 characters, left justified: Fe Enter old component to be replaced with Fe : FEO Enter other components (< 12) in Fe 1 per line, to finish: O2 Enter stoichiometric coefficients of: FEO O2 in Fe (in above order): 1 -0.5 Fe = 1.00 FEO -0.50 O2 Is this correct (Y/N)? y The current data base components are: NA2O MGO AL2O3 SIO2 K2O CAO TIO2 MNO Fe O2 H2O CO2 S2 F CL CUO PBO ZNO BAO ZRO2 Ni SNO AGO SRO HGO Transform them (Y/N)? y Enter new component name, < 6 characters, left justified: Cu Enter old component to be replaced with Cu : CUO Enter other components (< 12) in Cu 1 per line, to finish: O2 Enter stoichiometric coefficients of: CUO O2 in Cu (in above order): 1 -0.5 Cu = 1.00 CUO -0.50 O2 Is this correct (Y/N)? y The current data base components are: NA2O MGO AL2O3 SIO2 K2O CAO TIO2 MNO Fe O2 H2O CO2 S2 F CL Cu PBO ZNO BAO ZRO2 Ni SNO AGO SRO HGO Transform them (Y/N)? Calculations with a saturated phase (Y/N)? The phase is: FLUID Its compositional variable is: Y(CO2), X(O), etc. n Calculations with saturated components (Y/N)? n Use chemical potentials, activities or fugacities as independent variables (Y/N)? y Chemical potentials are symbolized in Perple_X, by a lowercase u followed by the component name in parentheses, e.g., the potential of A is written u(A). To convert chemical potentials to activities or fugacities run the Perple_X program MU_2_F after running VERTEX (see on-line documentation for additional information). Select < 3 mobile components from the set: NA2O MGO AL2O3 SIO2 K2O CAO TIO2 MNO Fe O2 H2O CO2 S2 F CL Cu PBO ZNO BAO ZRO2 Ni SNO AGO SRO HGO Enter names, left justified, 1 per line, to finish: O2 S2 Select thermodynamic components from the set: NA2O MGO AL2O3 SIO2 K2O CAO TIO2 MNO Fe H2O CO2 F CL Cu PBO ZNO BAO ZRO2 Ni SNO AGO SRO HGO Enter names, left justified, 1 per line, to finish: Cu Fe Ni The data base has P(bars) and T(K) as default independent potentials. Make one dependent on the other, e.g., as along a geothermal gradient (y/n)? Specify computational mode: 1 - Unconstrained minimization [default] 2 - Constrained minimization on a grid 3 - Output pseudocompound data Unconstrained optimization should be used for the calculation of composition, mixed variable, and Schreinemakers diagrams, it may also be used for the calculation of phase diagram sections for a fixed bulk composition. Gridded minimization can be used to construct phase diagram sections for both fixed and variable bulk composition. Gridded minimization is preferable for the recovery of phase and bulk properties. 1 Specify number of independent potential variables: 0 - Composition diagram [default] 1 - Mixed-variable diagram 2 - Sections and Schreinemakers-type diagrams 2 Select x-axis variable: 1 - P(bars) 2 - T(K) 3 - u(O2) 4 - u(S2) 4 Enter minimum and maximum values, respectively, for: u(S2) -.26e6 -.17e6 Select y-axis variable: 2 - T(K) 3 - u(O2) 4 - P(bars) 3 Enter minimum and maximum values, respectively, for: u(O2) -.55e6 -.45e6 Specify sectioning value for: T(K) 673 Specify sectioning value for: P(bars) 3500 Constrain bulk composition (as in pseudosections, y/n)? n Do you want a print file (Y/N)? y Enter the print file name, < 100 characters, left justified [default = pr]: print7 Long print file format (Y/N)? y Write full reaction equations (Y/N)? n Suppress console status messages (Y/N)? n Print dependent potentials for chemographies (Y/N)? Answer no if you do not know what this means. n Do you want a plot file (Y/N)? y Enter the plot file name, < 100 characters, left justified [default = pl]: plot7 Specify efficiency level [1-5, default = 3]: 1 - gives lowest efficiency, highest reliability 5 - gives highest efficiency, lowest reliability High values increase probability that a curve may be partially determined or skipped. Exclude phases (Y/N)? y Do you want to be prompted for phases (Y/N)? n Enter names, left justified, 1 per line, to finish: Frs-Ox Do you want to treat solution phases (Y/N)? n Enter calculation title: Test Problem 7 C:\jamie\perplex_f90>vertex Enter computational option file name (i.e. the file created with BUILD), left justified: in7.dat Reading thermodynamic data from file: sup93ver.dat Writing print output to file: print7 Writing plot output to file: plot7 Reading solution models from file: none requested cycle 1 1 1 cycle 2 2 2 Initial number of divariant assemblages to be tested is: 2 Testing divariant assemblage 1, 1 assemblages remaining to be tested. finished with equilibrium ( 1) Fe = po finished with equilibrium ( 2) Fe = mt finished with equilibrium ( 3) po = mt finished with equilibrium ( 4) Cu = Cc finished with equilibrium ( 4) Cu = Cc finished with equilibrium ( 3) po = mt finished with equilibrium ( 5) AW = mt Ni finished with equilibrium ( 4) Cu = Cc finished with equilibrium ( 4) Cu = Cc finished with equilibrium ( 5) AW = mt Ni finished with equilibrium ( 6) po Cc = Bn finished with equilibrium ( 3) po = mt finished with equilibrium ( 7) Bn = Cc mt finished with equilibrium ( 8) AW = mt NI3S2 finished with equilibrium ( 9) Ni = NI3S2 finished with equilibrium ( 9) Ni = NI3S2 finished with equilibrium ( 10) AW = po NI3S2 finished with equilibrium ( 8) AW = mt NI3S2 finished with equilibrium ( 3) po = mt finished with equilibrium ( 8) AW = mt NI3S2 finished with equilibrium ( 11) AW Cc = Bn NI3S2 finished with equilibrium ( 8) AW = mt NI3S2 finished with equilibrium ( 7) Bn = Cc mt Testing divariant assemblage 2, 1 assemblages remaining to be tested. Testing divariant assemblage 3, 1 assemblages remaining to be tested. Testing divariant assemblage 4, 1 assemblages remaining to be tested. finished with equilibrium ( 9) Ni = NI3S2 Testing divariant assemblage 5, 1 assemblages remaining to be tested. Testing divariant assemblage 6, 2 assemblages remaining to be tested. finished with equilibrium ( 11) AW Cc = NI3S2 Bn Testing divariant assemblage 7, 3 assemblages remaining to be tested. Testing divariant assemblage 8, 2 assemblages remaining to be tested. Testing divariant assemblage 9, 2 assemblages remaining to be tested. Testing divariant assemblage 10, 2 assemblages remaining to be tested. Testing divariant assemblage 11, 1 assemblages remaining to be tested. Testing divariant assemblage 12, 1 assemblages remaining to be tested. Testing divariant assemblage 13, 1 assemblages remaining to be tested. Testing divariant assemblage 14, 0 assemblages remaining to be tested. Testing divariant assemblage 15, 0 assemblages remaining to be tested. Testing divariant assemblage 16, 0 assemblages remaining to be tested. C:\jamie\perplex_f90>psvdraw Enter the VERTEX plot file name: plot7 PostScript will be written to file: plot7.ps Modify the default plot (y/n)? C:\jamie\perplex_f90>mu_2_f Enter the VERTEX plot file name: plot7 convert u(S2) to activity (or fugacity) (y/n)? y the converted variable will be named: lf_S2 and is the base 10 log of the activity (or fugacity). convert u(O2) to activity (or fugacity) (y/n)? y the converted variable will be named: lf_O2 and is the base 10 log of the activity (or fugacity). Enter the thermo data file name, left justified, < 100 characters, (default = hp98ver.dat): sup93ver.dat too many components, only first 12 will be listed. List database phases (y/n)? n Select a phase or species to be used to define lf_S2 (default =S2 ) Select a phase or species to be used to define lf_O2 (default =O2 ) C:\jamie\perplex_f90>psvdraw Enter the Perple_X plot file name: mplot7 PostScript will be written to file: mplot7.ps Modify the default plot (y/n)? n ========================================================================= Variation with fixed composition, input file jn7.dat made by modifying the input file in7.dat. To do the calculation with fixed composition, but without using the program POLYGON (usually not available for Unix/Mac systems), change the computational option flag indicated on the line: 1 calculation type, 0 - no independent potentials, 1 - two independent potentials 3 - one independent potentials, 4 - swash 5 - gridded minimization from 1 to 5 ========================================================================= C:\jamie\perplex_f90>vertex Enter computational option file name (i.e. the file created with BUILD), left justified: jn7.dat Reading thermodynamic data from file: sup93ver.dat Writing print output to file: print7 Writing plot output to file: plot7 Reading solution models from file: none requested Writing bulk composition plot output to file: bplot7 Initializing polygon output file: pplot7 Initial number of divariant assemblages to be tested is: 1 Testing divariant assemblage 1, 0 assemblages remaining to be tested. finished with equilibrium ( 1) Fe = po finished with equilibrium ( 2) Fe = mt finished with equilibrium ( 3) po = mt finished with equilibrium ( 4) Cu = Cc finished with equilibrium ( 4) Cu = Cc finished with equilibrium ( 3) po = mt finished with equilibrium ( 5) AW = mt Ni finished with equilibrium ( 5) AW = mt Ni finished with equilibrium ( 4) Cu = Cc finished with equilibrium ( 6) po Cc = Bn finished with equilibrium ( 3) po = mt finished with equilibrium ( 7) Bn = Cc mt finished with equilibrium ( 8) AW = mt NI3S2 finished with equilibrium ( 9) Ni = NI3S2 finished with equilibrium ( 10) AW = po NI3S2 finished with equilibrium ( 8) AW = mt NI3S2 finished with equilibrium ( 3) po = mt finished with equilibrium ( 8) AW = mt NI3S2 finished with equilibrium ( 8) AW = mt NI3S2 finished with equilibrium ( 7) Bn = Cc mt Testing divariant assemblage 2, 0 assemblages remaining to be tested. Testing divariant assemblage 3, 0 assemblages remaining to be tested. Testing divariant assemblage 4, 0 assemblages remaining to be tested. finished with equilibrium ( 10) AW = po NI3S2 Testing divariant assemblage 5, 0 assemblages remaining to be tested. Testing divariant assemblage 6, 0 assemblages remaining to be tested. Testing divariant assemblage 7, 0 assemblages remaining to be tested. finished with equilibrium ( 9) Ni = NI3S2 Testing divariant assemblage 8, 0 assemblages remaining to be tested. Testing divariant assemblage 9, 0 assemblages remaining to be tested. Testing divariant assemblage 10, 0 assemblages remaining to be tested. C:\jamie\perplex_f90>mu_2_f Enter the Perple_X plot file name: plot7 convert u(S2) to activity (or fugacity) (y/n)? y the converted variable will be named: lf_S2 and is the base 10 log of the activity (or fugacity). convert u(O2) to activity (or fugacity) (y/n)? y the converted variable will be named: lf_O2 and is the base 10 log of the activity (or fugacity). Enter the thermo data file name, left justified, < 100 characters, (default = hp98ver.dat): sup93ver.dat List database phases (y/n)? Select a phase or species to be used to define lf_S2 (default =S2 ) Select a phase or species to be used to define lf_O2 (default =O2 ) **warning ver094** before plotting this diagram with PSVDRAW you must run POLYGON with the plot file: C:\jamie\perplex_f90>polygon Modify memory allocation (y/n)? n Enter plot file name: mplot7 Constructing polygons Preparing output C:\jamie\perplex_f90>psvdraw Enter the Perple_X plot file name: mplot7 PostScript will be written to file: mplot7.ps Modify the default plot (y/n)? y Modify default drafting options (y/n)? answer yes to modify: - picture transformation - x-y plotting limits - relative lengths of axes - text label font size - line thickness - curve smoothing - axes labeling and gridding y Modify x-y limits (y/n)? Modify default picture transformation (y/n)? Modify ratio of x to y axis length (y/n) Modify default text scaling (y/n)? Use minimum width lines (y/n)? Fit curves with B-splines (y/n)? Restrict phase fields by variance (y/n)? answer yes to: - show curves and points that do not correspond to true phase boundaries - suppress all phase boundaries Restrict phase fields by phase identities (y/n)? answer yes to: - show fields that contain a specific assemblage - show fields that do not contain specified phases - show fields that contain any of a set of specified phases Modify default equilibrium labeling (y/n)? answer yes to: - show [pseudo-] univariant curve labels - show [pseudo-] invariant point labels - modify/suppress [pseudo-] high variance field labels If PostScript plot file size is problematic suppressing phase field fill patterns will result in a major reduction file size Change default phase field fill patterns (y/n)? answer yes to: - suppress default variance-based phase field patterns - generate fills based on the value of a property Modify default axes (y/n)? y Enter the starting value and interval for major tick marks on the X-axis (the current values are: -19.2 1.40 ) Enter the new values: -19 2 Enter the starting value and interval for major tick marks on the Y-axis (the current values are: -36.3 1.55 ) Enter the new values: -36 2 Cancel half interval tick marks (y/n)? Draw tenth interval tick marks (y/n)? Rescale axes text (y/n)? Turn gridding on (y/n)? C:\jamie\perplex_f90>