! this file contains a sample vertex session, comment lines begin ! with an exclamation point. The calculation is of a series ! of AFM diagrams at (projection through feldspar KAlO2 component, ! not muscovite component KAl3O5 as in the classical Thompson ! projection, see sample.5) 4kb from 600 to 1100 K using the ! thermodynamic data of Holland and Powell 1990 (file hp90ver.dat) ! for a system saturated with respect to a COH fluid and graphite ! at log(fo2) = QFM-1. ! run build to create input file in2.dat for vertex: ostrich{jamie}182: 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: in2.dat The file in2.dat exists, do you really want to overwrite it (y/n)? y 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: print2.out Enter a name for the graphics file, <15 characters, left justified: plot2.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 0 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)? ! To make an AFM projection it will be neccessary to project through ! alkali feldspar and quartz, such projections are only possible with vertex ! if each phase you wish to project through is represented by a component. ! For quartz this is not a problem, but there is no suitable component ! for muscovite, so the user must create one (KAlO2 is the muscovite ! composition after projection through H2O and SIO2) here: y Enter the new component name (< 5 characters left justified, blank to finish): KALO2 Enter the component you wish to replace with KALO2: ! The component transformation will replace K2O with KALO2 K2O ! The next series of questions define KALO2 as a linear combination ! of the database components: 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): ! for COH fluids this question may seem peculiar, it determines ! how many of the fluid species can be mineral components. if ! you answer 2 it assumes both CO2 and H2O may be mineral ! constituents, if you answer 1 it will prompt for a species ! (e.g. H2O) and minerals which contain the other species (CO2) ! will not be considered in the calculations. 2 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 How many saturated components (maximum 3)? 2 **warning ver015** the order you enter the components determines the saturation heirarchy and will effect your results (see Connolly 1990). ! The above warning pertains to the order of projection, vertex always ! projects through the saturated phase components first (here H2O and ! CO2), and then through the saturated components in the order you enter them. ! here you would like to project through SIO2 (quartz) first and KALO2 ! second. this means that vertex will first look for a phase with ! composition SIO2, the composition of all remaining phases will be ! projected through SIO2, and the stable phase with composition KALO2 ! will be used as the next projection point. If you entered KALO2 first, ! instead of SIO2, vertex would first identify a stable phase with ! composition KALO2 (in this case there is none, so you would get an error), ! and then project all phases though KALO2 and identify to identify the ! the stable phase with (projected) composition SIO2 (this probably would ! not be quartz). Enter component names, left justified, one per line: SIO2 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 AL2O3 CAO TIO2 MNO FEO O How many thermodynamic components (minimum 2, maximum 7)? 3 Enter component names, left justified, one per line: FEO AL2O3 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)? 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 ksp (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 m(t&c) (Y/N)? Exclude m(h&p) (Y/N)? y Exclude sid (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 CO2 (Y/N)? Exclude Wus (Y/N)? y 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 ! At present there is only one EOS for graphite ! buffered fluids, the MRK of DeSantis 1974 ! with a low T H2O dispersion term from my ! MS thesis, and everyting else computed as ! described by Holloway 1981. 8 Modify the default buffer (a-QFM) (Y/N)? y Select a buffer: ! the routine has only one fo2 buffer, if you ! want you could add more to the routine. 1 - aQFM, Holland and Powell, 298-1200K 1 Modify calculated fO2 by a constant (Y/N)? ! here we want to calculate COH speciation ! at one log unit below QFM, which i know ! from experience gives the maximum XH2O, and ! therefore maximum dehydration temperatures. y Enter the constant in units of log10(fO2): -1. 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: ! To do a calculation with mineral solutions, you must have a data file ! which contains the solution model for each phase that you are interested ! in, an example of such a file is solut.dat. ! Usually i use a name followed by '(i)' to indicate an ideal solution, ! and otherwise a name followed by the initials of the models creator in ! parentheses. ! Instructions on how to format new models for a ! solution model file are given in the documentation. solut.dat ! build first scans the solution model file to ! try and eliminate solution models which are inconsistent ! with the problem as specified so far, ! i.e., the solutions are in the wrong composition space. **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 ver025** missing all endmembers for Ab(h) **warning ver025** missing all endmembers for Kf(h) **warning ver025** missing all endmembers for Ab **warning ver025** missing all endmembers for Kf **warning ver025** missing all endmembers for Kspar(h) **warning ver025** missing all endmembers for Kspar **warning ver025** missing all endmembers for Sanidine **warning ver025** missing all endmembers for Omph(i) ! fluid saturation has already been specified, therefore ! it would be illogical to allow fluid to be treated ! as an independent phase. Fluid could only be treated ! as an independent phase if H2O and CO2 were entered ! as thermodynamic components (i.e., as in Connolly and ! Trommsdorff 1991). Fluid is not a possible solution phase because of endmember H2O **warning ver025** missing all endmembers for tremolite ! if only one endmember is found, the solution probably ! doesnot lie entirely in the composition space of the ! problem, you can modify either the solution model file ! (documentation section 4.1, read 3 and 6+iscon+jfix) or ! thermodynamic data file (actcor) to account for this. **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) ! if at least two endmembers of a solution are found ! build and vertex treat the model in the appropriate ! compositional subspace if the model is selected. **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 ! the solution model GrPyAlSp(B has been specified in ! such a way that the excess free energy of the ternary ! garnet GrPyAl will be corrected for a fixed mole ! fraction of spessartine, if the model is selected. 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) cordierite anthophyll EnFs(i) Talc(i) Ol(i) Sp(J&R) Sp(G&S) Sp(i) Gt(i-c) Gt(i-b) chloritoid GrPyAlSp(B GrPyAl(B) Carp(i) Cumm(i) Chl(i) Talc(i) Bio(i) St(i) Sp(J&R) Anth(i) EnFs(i) Ctd(i) GrPyAl(B) Crd(i) Carp(i) Cumm(i) Calculate high variance phase fields (Y/N)? ! this question is irrelevant for composition phase diagram calculations n Enter a one-line title for your calculation: test problem 2 (sample.2) how many composition diagrams do you want to calculate? 6 Specify the values for : ! for graphite buffered COH fluids the value you specify for ! XCO2 is irrelevant. P(bars) T(K) X(CO2) For calculation number 1 4000 600 0.0 Specify the values for : P(bars) T(K) X(CO2) For calculation number 2 4000 700 0.0 Specify the values for : P(bars) T(K) X(CO2) For calculation number 3 4000 800 0.0 Specify the values for : P(bars) T(K) X(CO2) For calculation number 4 4000 920 0.0 Specify the values for : P(bars) T(K) X(CO2) For calculation number 5 4000 1000 0.0 Specify the values for : P(bars) T(K) X(CO2) For calculation number 6 4000 1100 0.0 ! The build program ends and creates the file in2.dat ! The user now runs vertex to do the phase diagram calculation ostrich{jamie}209: vertex Enter the name of the computational option file (i.e. the file created with BUILD) < 15 characters, left justified: in2.dat ! For this problem vertex is going to use a ternary garnet model for a ! binary garnet; as different subdivision schemes can be specified for ! binary and ternary solutions this can lead to conflicts, hence the ! following warning. In this particular case i've modified the model ! in solut.dat to make a symmetric transform subdivision which is only ! valid for binary solutions, these same parameters for the ternary ! solution would result in a 1st order barycentric subdivision, which ! would not be a very good choice for a ternary garnet, so you would ! have to modify the model again before using it for a ternary problem. **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) ! Vertex does not print any other messages to the console during execution of a ! composition phase diagram calculation. Reading thermodynamic data from file: hp90ver.dat Writing print output to file: print2.out Writing plot output to file: plot2.out Reading solution models from file: solut.dat ! Make a PostScript plot with psvdraw: ostrich{jamie}211: psvdraw Enter plot file name: plot2.out PostScript will be written to file: plot2.out.ps ! You could now print the postscript file or print2.out.