Microsoft Windows XP [Version 5.1.2600] (C) Copyright 1985-2001 Microsoft Corp. C:\jamie>cd berp* C:\jamie\Berple_X>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]: File: in exists, do not overwrite it (y/n)? Enter thermodynamic data file name, left justified, [default = hp02ver.dat]: The current data base components are: NA2O MGO AL2O3 SIO2 K2O CAO TIO2 MNO FEO NIO ZRO2 CL2 O2 H2O CO2 Transform them (Y/N)? Calculations with a saturated phase (Y/N)? The phase is: FLUID Its compositional variable is: Y(CO2), X(O), etc. y Select the independent saturated phase components: H2O CO2 Enter names, left justified, 1 per line, to finish: For C-O-H fluids it is only necessary to select volatile species present in the solids of interest. If the species listed here are H2O and CO2, then to constrain O2 chemical potential to be consistent with C-O-H fluid speciation treat O2 as a saturated component. Refer to the Perple_X Tutorial for details. H2O CO2 Calculations with saturated components (Y/N)? Use chemical potentials, activities or fugacities as independent variables (Y/N)? Select thermodynamic components from the set: NA2O MGO AL2O3 SIO2 K2O CAO TIO2 MNO FEO NIO ZRO2 CL2 O2 Enter names, left justified, 1 per line, to finish: MGO SIO2 Select fluid equation of state: 0 - X(CO2) Modified Redlich-Kwong (MRK/DeSantis/Holloway) 1 - X(CO2) Kerrick & Jacobs 1981 (HSMRK) 2 - X(CO2) Hybrid MRK/HSMRK 3 - X(CO2) Saxena & Fei 1987 pseudo-virial expansion 4 - Bottinga & Richet 1981 (CO2 RK) 5 - X(CO2) Holland & Powell 1991, 1998 (CORK) 6 - X(CO2) Hybrid Haar et al 1979/CORK (TRKMRK) 7 - f(O2/CO2)-f(S2) Graphite buffered COHS MRK fluid 8 - f(O2/CO2)-f(S2) Graphite buffered COHS hybrid-EoS fluid 9 - Max X(H2O) GCOH fluid Cesare & Connolly 1993 10 - X(O) GCOH-fluid hybrid-EoS Connolly & Cesare 1993 11 - X(O) GCOH-fluid MRK Connolly & Cesare 1993 12 - X(O)-f(S2) GCOHS-fluid hybrid-EoS Connolly & Cesare 1993 13 - X(H2) H2-H2O hybrid-EoS 14 - EoS Birch & Feeblebop (1993) 15 - X(H2) low T H2-H2O hybrid-EoS 16 - X(O) H-O HSMRK/MRK hybrid-EoS 17 - X(O) H-O-S HSMRK/MRK hybrid-EoS 18 - X(CO2) Delany/HSMRK/MRK hybrid-EoS, for P > 10 kb 19 - X(O)-X(S) COHS hybrid-EoS Connolly & Cesare 1993 20 - X(O)-X(C) COHS hybrid-EoS Connolly & Cesare 1993 21 - X(CO2) Halbach & Chatterjee 1982, P > 10 kb, hybrid-Eos 22 - X(CO2) DHCORK, hybrid-Eos 23 - Toop-Samis Silicate Melt 24 - f(O2/CO2)-N/C Graphite saturated COHN MRK fluid 25 - H2O-CO2-NaCl Aranovich and Haefner 2004 25 For this EoS Y(CO2)* is defined as: Y(CO2)* = n(CO2)/[n(H2O)+n(CO2)] i.e., Y(CO2)* may vary from 0 -> 1 regardless of salt content Choose how salt content is to be specified: 1 - weight fraction 2 - mole fraction 1 Enter weight salt fraction (0->1) in the fluid: 0.05 The data base has P(bar) 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 4 - Phase fractionation calculations 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(bar) 2 - T(K) 3 - Y(CO2)* 3 Enter minimum and maximum values, respectively, for: Y(CO2)* 0 1 Select y-axis variable: 2 - T(K) 3 - P(bar) 2 Enter minimum and maximum values, respectively, for: T(K) 773 1073 Specify sectioning value for: P(bar) 4000 Constrain bulk composition (as in pseudosections, y/n)? Do you want a print file (Y/N)? y Enter the print file name, < 100 characters, left justified [default = pr]: Long print file format (Y/N)? Write full reaction equations (Y/N)? Suppress console status messages (Y/N)? Print dependent potentials for chemographies (Y/N)? Answer no if you do not know what this means. Do you want a plot file (Y/N)? y Enter the plot file name, < 100 characters, left justified [default = pl]: 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)? Do you want to treat solution phases (Y/N)? Enter calculation title: C:\jamie\Berple_X>vertex Enter computational option file name (i.e. the file created with BUILD), left justified: in Reading thermodynamic data from file: hp02ver.dat Writing print output to file: pr Writing plot output to file: pl Reading solution models from file: none requested Done generating pseudocompounds (total: 0) cycle 1 1 1 cycle 2 2 2 cycle 3 3 3 cycle 4 4 4 Initial number of divariant assemblages to be tested is: 4 Testing divariant assemblage 1, 3 assemblages remaining to be tested. finished with equilibrium ( 1) mag = br finished with equilibrium ( 2) br = per finished with equilibrium ( 3) mag = per Testing divariant assemblage 2, 3 assemblages remaining to be tested. **warning ver047** invariant point 2 could not be located within the specified tolerance (PTOL= 0.300000E-02 ) reset PTOL to avoid this problem. finished with equilibrium ( 4) atg mag = fo finished with equilibrium ( 5) atg = fo ta finished with equilibrium ( 6) mag ta = fo finished with equilibrium ( 7) mag ta = atg finished with equilibrium ( 8) mag en = fo finished with equilibrium ( 9) fo ta = en finished with equilibrium ( 10) mag ta = en finished with equilibrium ( 11) fo ta = anth finished with equilibrium ( 12) fo anth = en finished with equilibrium ( 13) ta en = anth finished with equilibrium ( 14) mag q = ta finished with equilibrium ( 15) mag q = en finished with equilibrium ( 16) ta = en q finished with equilibrium ( 17) ta = anth q finished with equilibrium ( 18) anth = en q Metastable assemblage in FLIPIT, the assemblage is: fo atg v = 4000.00 1069.48 0.100000E-05 0.00000 0.00000 Testing divariant assemblage 3, 3 assemblages remaining to be tested. Testing divariant assemblage 4, 3 assemblages remaining to be tested. Testing divariant assemblage 5, 3 assemblages remaining to be tested. Metastable assemblage in FLIPIT, the assemblage is: fo mag v = 4000.00 773.000 0.250010E-01 0.00000 0.00000 Testing divariant assemblage 6, 2 assemblages remaining to be tested. Testing divariant assemblage 7, 1 assemblages remaining to be tested. Testing divariant assemblage 8, 0 assemblages remaining to be tested. Testing divariant assemblage 9, 1 assemblages remaining to be tested. Testing divariant assemblage 10, 2 assemblages remaining to be tested. Testing divariant assemblage 11, 3 assemblages remaining to be tested. Testing divariant assemblage 12, 3 assemblages remaining to be tested. Testing divariant assemblage 13, 3 assemblages remaining to be tested. Testing divariant assemblage 14, 4 assemblages remaining to be tested. Testing divariant assemblage 15, 3 assemblages remaining to be tested. Testing divariant assemblage 16, 3 assemblages remaining to be tested. Testing divariant assemblage 17, 3 assemblages remaining to be tested. Testing divariant assemblage 18, 2 assemblages remaining to be tested. Testing divariant assemblage 19, 1 assemblages remaining to be tested. Testing divariant assemblage 20, 0 assemblages remaining to be tested. Testing divariant assemblage 21, 1 assemblages remaining to be tested. Testing divariant assemblage 22, 0 assemblages remaining to be tested. C:\jamie\Berple_X>