! this file contains a sample vertex session, comment lines begin ! with an exclamation point. The calculation is of a Schreinemakers P-T diagram ! for the water-saturated system MGO-FEO-AL2O3-KALO2-SIO2, with the additional ! constraints that: ! 1) a pure SIO2 phase (Q,bQ) is stable with all assemblages. ! 2) the phase that coexists with this SIO2 phase on the SIO2-AL2O3 join ! (Ky,Sil,And,Phyl,Dia,Co,Kao, etc) is stable with all assemblages. ! 3) the phase that coexists with the above two phases on the KAlO2-AL2O3-SIO2 ! join (Kspar,Mu, etc) is stable with all assemblages. ! This implies the component saturation heirarchy SIO2-AL2O3-KALO2, with two ! thermodynamic components FeO and MgO. In other words, the calculation is of ! the P-T phase relations of phases which would coexist with the phase on the ! Al2O3 apex of the projections calculated in sample.session2 IF the roles ! of KALO2 and AL2O3 were interchanged in in2.dat (try it). ! Note that in this case changing the component saturation heirarchy has profound ! effects on the calculated phase relations for the system. ! You can do the same kind of calculation for the J.B. Thompson AFM projection ! done in sample.5 ! run build to create input file in3.dat for vertex: ostrich{jamie}219: build NO is the default answer to all Y/N prompts Enter the name of the input file for Vertex (i.e. the file OUTPUT by this program) < 15 characters and left justified: in3.dat Enter the thermo data file name (e.g. hp90ver.dat), < 15 characters, left justified: hp90ver.dat Do you want to generate a print file (Y/N)? y Do you want to generate a graphics file (Y/N)? y Enter a name for the print file, <15 characters, left justified: print3.out Enter a name for the graphics file, <15 characters, left justified: plot3.out Specify the kind of phase diagram calculation: 0 - for a Composition diagram 1 - for a Schreinemakers-type diagram 3 - for a Mixed-variable diagram 1 Specify the reliability level [1-5, default is 5]: 1 - gives lowest efficiency, highest reliability 5 - gives highest efficiency, lowest reliability High values increase the probability that a curve may be only partially determined or skipped entirely. ! here, by experience, i know that one equilibrium ! will be skipped unless you choose level 1, the ! curve which is skipped otherwise is a segment of ! the fst=alm singular curve. ! Note changing the reliability level between ! calculations of the same diagram will change the ! numbering of equilibria. 1 Print dependent potentials for chemographies? Answer no if you do not know what this means. n The data base components are: NA2O MGO AL2O3 SIO2 K2O CAO TIO2 MNO FEO O H2O CO2 Do you want to redefine them (Y/N)? ! It is necessary to create the component KALO2 (see sample.session2) y Enter the new component name (< 5 characters left justified, blank to finish): KALO2 Enter the component you wish to replace with KALO2: K2O Enter the stoichiometric coefficient of NA2O in component KALO2: 0 Enter the stoichiometric coefficient of MGO in component KALO2: 0 Enter the stoichiometric coefficient of AL2O3 in component KALO2: 0.5 Enter the stoichiometric coefficient of SIO2 in component KALO2: 0 Enter the stoichiometric coefficient of K2O in component KALO2: 0.5 Enter the stoichiometric coefficient of CAO in component KALO2: 0 Enter the stoichiometric coefficient of TIO2 in component KALO2: 0 Enter the stoichiometric coefficient of MNO in component KALO2: 0 Enter the stoichiometric coefficient of FEO in component KALO2: 0 Enter the stoichiometric coefficient of O in component KALO2: 0 Enter the stoichiometric coefficient of H2O in component KALO2: 0 Enter the stoichiometric coefficient of CO2 in component KALO2: 0 KALO2 = + 0.00 NA2O + 0.00 MGO + 0.50 AL2O3+ 0.00 SIO2 + 0.50 K2O + 0.00 CAO + 0.00 TIO2 + 0.00 MNO + 0.00 FEO + 0.00 O + 0.00 H2O + 0.00 CO2 Is this correct (Y/N)? y Enter the new component name (< 5 characters left justified, blank to finish): Do you want to do calculations with a saturated phase (Y/N)? The phase is: FLUID Its components can be: H2O CO2 Its compositional variable is called: X(CO2) y Enter the number of components in the FLUID (1 or 2 for COH buffered fluids): 1 Enter the name of the component, left justified: H2O Do you want to do calculations with saturated components (Y/N)? y Select saturated components from the following set: NA2O MGO AL2O3 SIO2 KALO2 CAO TIO2 MNO FEO O CO2 How many saturated components (maximum 3)? 3 **warning ver015** the order you enter the components determines the saturation heirarchy and will effect your results (see Connolly 1990). Enter component names, left justified, one per line: SIO2 AL2O3 KALO2 Do you want to treat the chemical potential of a component as an INDEPENDENT variable (Y/N)? n Select remaining components from the following set: NA2O MGO CAO TIO2 MNO FEO O CO2 How many thermodynamic components (minimum 2, maximum 7)? 2 Enter component names, left justified, one per line: FEO MGO working... Do you want to exclude phases from your calculations (Y/N)? y Do you want to be prompted for phases (Y/N)? y Exclude k2o (Y/N)? Exclude sio2 (Y/N)? y Exclude al2o3 (Y/N)? y Exclude mgo (Y/N)? y Exclude feo (Y/N)? y Exclude mu (Y/N)? Exclude cel (Y/N)? y Exclude fcel (Y/N)? y Exclude phl (Y/N)? Exclude ann (Y/N)? Exclude sdph (Y/N)? y Exclude east (Y/N)? y Exclude clin (Y/N)? Exclude ames (Y/N)? y Exclude daph (Y/N)? Exclude fame (Y/N)? y Exclude kf (Y/N)? Exclude san (Y/N)? Exclude kals (Y/N)? y Exclude lc (Y/N)? y Exclude en (Y/N)? Exclude fs (Y/N)? Exclude mgts (Y/N)? y Exclude c-en (Y/N)? y Exclude py (Y/N)? Exclude alm (Y/N)? Exclude ap (Y/N)? Exclude fap (Y/N)? Exclude cumm (Y/N)? Exclude grun (Y/N)? Exclude fo (Y/N)? y Exclude fa (Y/N)? y Exclude crd (Y/N)? Exclude fcrd (Y/N)? Exclude mctd (Y/N)? Exclude fctd (Y/N)? Exclude mst (Y/N)? Exclude fst (Y/N)? Exclude ta (Y/N)? Exclude fta (Y/N)? Exclude tats (Y/N)? y Exclude ftat (Y/N)? y Exclude br (Y/N)? Exclude chr (Y/N)? y Exclude dia (Y/N)? y Exclude pyhl (Y/N)? Exclude and (Y/N)? Exclude ky (Y/N)? Exclude sill (Y/N)? Exclude sp (Y/N)? Exclude herc (Y/N)? Exclude mcar (Y/N)? Exclude fcar (Y/N)? Exclude per (Y/N)? Exclude cor (Y/N)? Exclude q (Y/N)? Exclude bq (Y/N)? Exclude coe (Y/N)? y Exclude H2O (Y/N)? Exclude Wus (Y/N)? Select the x-axis variable: 1 - P(bars) 2 - T(K) 2 Enter the minimum and maximum values, respectively, for: P(bars) 2000 10000 Enter the minimum and maximum values, respectively, for: T(K) 773 1073 Select the equation of state for the FLUID phase 1 - MRK (DeSantis et al 1974) 2 - HSMRK (Kerrick and Jacobs 1981) 3 - Hybrid MRK-HSMRK 4 - Saxena and Fei 1987, pseudo-virial expansion 5 - Bottinga and Richet 1982, RK 6 - Holland and Powell 1990, CORK 7 - Hybrid Haar/HSMRK 8 - Graphite buffered COH-MRK fluid 6 Do you want to treat solution phases (Y/N)? y Enter the name of the file which contains the solution models you want to use (e.g.solut.dat), left justified, < 15 characters: solut.dat **warning ver025** missing all endmembers for GlTr(i) **warning ver025** missing all endmembers for Tschermaki **warning ver025** missing all endmembers for Pl(i) **warning ver025** missing all endmembers for MaPa(i) **warning ver025** missing all endmembers for Pl(hB) **warning ver025** missing all endmembers for Pl(h) **warning ver025** missing all endmembers for DiCats(i) **warning ver026** only one endmember for Ab(h) **warning ver026** only one endmember for Kf(h) **warning ver026** only one endmember for Ab **warning ver026** only one endmember for Kf **warning ver026** only one endmember for Kspar(h) **warning ver026** only one endmember for Kspar **warning ver025** missing all endmembers for Sanidine **warning ver025** missing all endmembers for Omph(i) Fluid is not a possible solution phase because of endmember H2O **warning ver025** missing all endmembers for Tr(i) **warning ver026** only one endmember for Mica **warning ver026** only one endmember for Pa **warning ver026** only one endmember for Mu **warning ver026** only one endmember for gralad **warning ver025** missing all endmembers for GrAd(E&W) **warning ver025** missing all endmembers for GrAd(i) **warning ver025** missing all endmembers for EpCz(i) **warning ver025** missing all endmembers for h-EpCz(i) **warning ver025** missing all endmembers for HeDi(i) **warning ver025** missing all endmembers for Dol(i) **warning ver026** only one endmember for Neph(F&B) ** warning ver111 ** the following endmembers are missing for solution Gt(i-c) gr it will be treated as a simpler solution between the remaining endmembers ** warning ver111 ** the following endmembers are missing for solution Gt(i-b) gr it will be treated as a simpler solution between the remaining endmembers **warning ver025** missing all endmembers for tr-ed **warning ver025** missing all endmembers for mgal-amph **warning ver025** missing all endmembers for mg-fe-hb ** warning ver111 ** the following endmembers are missing for solution GrPyAlSp(B gr it will be treated as a simpler solution between the remaining endmembers In solution GrPyAlSp(B the following endmembers have fixed compositions: spess X = 0.100000 To relax or change these constraints you must modify solut.dat . ** warning ver111 ** the following endmembers are missing for solution GrPyAl(B) gr it will be treated as a simpler solution between the remaining endmembers **warning ver025** missing all endmembers for JdDi(G1) **warning ver025** missing all endmembers for JdDi(G2) **warning ver025** missing all endmembers for JdDi(W?) Select phases from the following list, enter the names one at a time and left justified, ENTER A BLANK WHEN YOU ARE doNE. Chl(i) Bio(i) St(i) Carp(i) Crd(i) Cumm(i) Anth(i) EnFs(i) Talc(i) Ol(i) Sp(J&R) Sp(G&S) Sp(i) Gt(i-c) Gt(i-b) Ctd(i) GrPyAlSp(B GrPyAl(B) Chl(i) Bio(i) St(i) Carp(i) Crd(i) Cumm(i) Anth(i) EnFs(i) Talc(i) Sp(J&R) Ctd(i) GrPyAl(B) Calculate high variance phase fields (Y/N)? ! Vertex defines high variance fields by calculating pseudounivariant equilibria, ! these are essentially mineral isopleths which, in some cases, can be useful, but ! they can also make phase diagrams extremely complicated. Here i will calculate ! them, but then i will stop them from being plotted with psvdraw. y Enter a one-line title for your calculation: test 3 ! The build program ends and creates the file in3.dat ! The user now runs vertex to do the phase diagram calculation ostrich{jamie}283: vertex Enter the name of the computational option file (i.e. the file created with BUILD) < 15 characters, left justified: in3.dat Reading thermodynamic data from file: hp90ver.dat Writing print output to file: print3.out Writing plot output to file: plot3.out Reading solution models from file: solut.dat **warning ver117** the subdivision scheme for the high order solution GrPyAl(B) will be interpreted as a binary model with the parameters: imod= 1 xmax= 1.000 xmin= 10.000 xinc= 9.000 If you wish to change this or an error (probably from routine CART) follows then you must modify the solution model file (documentation section 4.1) Initial number of divariant assemblages to be tested is: 14 Testing initial assemblage 1, 0 new assemblages identified finished with equilibrium ( 1) Ctd(i)(fctd) = GrPyAl(B)(alm) finished with equilibrium ( 2) Ctd(i)(fctd) = St(i)(fst) finished with equilibrium ( 3) St(i)(fst) = GrPyAl(B)(alm) finished with equilibrium ( 4) Ctd(i)(fc91) = GrPyAl(B)(alm) Chl(i)(da81) finished with equilibrium ( 5) Ctd(i)(fc91) = St(i)(fst) Chl(i)(da81) finished with equilibrium ( 3) St(i)(fst) = GrPyAl(B)(alm) finished with equilibrium ( 6) Ctd(i)(fc91) = GrPyAl(B)(alm) Chl(i)(da87) finished with equilibrium ( 7) Ctd(i)(fc91) = St(i)(fst) Chl(i)(da75) finished with equilibrium ( 3) St(i)(fst) = GrPyAl(B)(alm) finished with equilibrium ( 8) Ctd(i)(fc91) = Chl(i)(da75) St(i)(fs91) finished with equilibrium ( 3) St(i)(fst) = GrPyAl(B)(alm) finished with equilibrium ( 9) Chl(i)(da75) St(i)(fst) = GrPyAl(B)(al93) finished with equilibrium ( 10) Ctd(i)(fc91) = St(i)(fs91) Chl(i)(da68) finished with equilibrium ( 11) St(i)(fs91) = Chl(i)(da75) GrPyAl(B)(al93) finished with equilibrium ( 12) Ctd(i)(fc91) = St(i)(fs91) Chl(i)(da62) finished with equilibrium ( 13) St(i)(fs91) = GrPyAl(B)(al93) Chl(i)(da68) finished with equilibrium ( 14) Ctd(i)(fc83) = St(i)(fs91) Chl(i)(da62) finished with equilibrium ( 15) St(i)(fs91) = GrPyAl(B)(al93) Chl(i)(da62) finished with equilibrium ( 16) Ctd(i)(fc83) = St(i)(fs91) Chl(i)(da56) . . output abridged . . Testing new divariant assemblage 198, 5 assemblages remaining to be tested. Testing new divariant assemblage 199, 4 assemblages remaining to be tested. Testing new divariant assemblage 200, 5 assemblages remaining to be tested. Testing new divariant assemblage 201, 4 assemblages remaining to be tested. Testing new divariant assemblage 202, 5 assemblages remaining to be tested. Testing new divariant assemblage 203, 4 assemblages remaining to be tested. Testing new divariant assemblage 204, 5 assemblages remaining to be tested. Testing new divariant assemblage 205, 4 assemblages remaining to be tested. Testing new divariant assemblage 206, 3 assemblages remaining to be tested. Testing new divariant assemblage 207, 2 assemblages remaining to be tested. Testing new divariant assemblage 208, 1 assemblages remaining to be tested. Testing new divariant assemblage 209, 2 assemblages remaining to be tested. Testing new divariant assemblage 210, 1 assemblages remaining to be tested. Testing new divariant assemblage 211, 0 assemblages remaining to be tested. ! Vertex is finished, now use psvdraw to make plots, the ! full plot is too complex so two examples of methods of ! simplification of the default plot are shown here, in the ! first high variance equilibria (i.e., the isopleths of ! divariant phase fields) are suppressed, and in the second ! only equilibria with garnet+biotite are shown. ! example 1 ostrich{jamie}293: psvdraw Enter plot file name: plot3.out PostScript will be written to file: plot3.out.ps Modify the default plot (y/n)? y Modify x-y limits (y/n)? Fit curves with B-splines (y/n)? Suppress curve labels (y/n)? Suppress labels on short curve segments (y/n)? Reset default size for text labels (y/n)? Suppress point labels (y/n)? Suppress high variance equilibria (y/n)? ! if you answer yes to this prompt you are then prompted ! for the type of equilibria to be suppressed, generally ! i do not suppress the plotting of pseudoinvariant points. y Suppress pseudounivariant curves (y/n)? y Suppress pseudoinvariant points (y/n)? n Restrict phase fields (y/n)? n ! the output from psvdraw could now be viewed or printed. ! example 2 ostrich{jamie}295: psvdraw Enter plot file name: plot3.out PostScript will be written to file: plot3.out.ps Modify the default plot (y/n)? y Modify x-y limits (y/n)? Fit curves with B-splines (y/n)? Suppress curve labels (y/n)? Suppress labels on short curve segments (y/n)? Reset default size for text labels (y/n)? Suppress point labels (y/n)? Suppress high variance equilibria (y/n)? Restrict phase fields (y/n)? y Show only with assemblage (y/n)? y Enter the name of a phase present in the field (left justified, to finish): ! in response to this prompt you can enter any valid ! solution, compound, or pseudocompound name. If you ! enter a solution name psvdraw will show all equilibria ! involving that solution, but if you enter a pseudocompound ! name only equilibria involving the specific pseudocompound ! will be shown. Bio(i) Enter the name of a phase present in the field (left justified, to finish): GrPyAl(B) Enter the name of a phase present in the field (left justified, to finish): 82 curves represent the assemblage: Bio(i) GrPyAl(B) 36 points contain the phases: Bio(i) GrPyAl(B) ! the output from psvdraw could now be viewed or printed. ostrich{jamie}296: