Perple_X Examples

 

 

This page is a map to the Perple_X examples directory. Some of the older examples include explanatory commentary; however, because these examples were prepared decades ago, aspects of the commentary may no longer be relevant. Users should refer to the more recent uncommented plots and dialogs to see how the problem is currently treated. The commentary, such as it is, is progressive, that is to say, things that are explained in the first example are taken for granted in the next. An unfortunate consequence of the out-datedness of the examples is that if calculations are done with current data they no longer illustrate the petrological details initially intended. Despite these problems, the examples provides some idea of how Perple_X can be used. A danger in using the old examples is that the commentary may indicate that some things are not possible when they actually are possible in the current version.

NOTE 1: the problem definition files referred to here were updated on 3/3/08 to function with Perple_X 07. In general the dialogs and plot output have not been updated. To emulate the dialogs for an actual calculation enter solution_model.dat when prompted for the solution model file. If a dialog specifies a thermodynamic data file named hp#ver.dat where # < 02, then enter hp02ver.dat rather than the indicated file name.

NOTE 2: Because this page (as all Perple_X documentation) is usually out-of-date, for most users it may be more useful to browse the perplex/examples folder to find relevant examples and benchmark calculations. 

CONTENTS

EXAMPLE 1:

Isobaric T-XCO2 Schreinemakers projection for the SiO2 and fluid saturated system CaO-MgO-Al2O3-SiO2-H2O-CO2.

EXAMPLE 2:

Ternary "AFM" diagrams (projection through feldspar KAlO2 component, not muscovite component KAl3O5 as in the classical Thompson projection, see Example 5) for a system saturated with respect to a COH fluid and graphite at constrained oxygen fugacity.

EXAMPLE 3:

Schreinemakers P-T projection for the water-saturated system MgO-FeO-Al2O3-KAlO2-SiO2, with the additional constraints that: a pure SIO2 phase is stable with all assemblages; the phase that coexists with this SIO2 phase on the SiO2-Al2O3 join (i.e., Ky, Sil, And, Phyl, Dia, Co, Kao, etc.) is stable with all assemblages; the phase that coexists with the above two phases on the KAlO2-Al2O3-SiO2 join (i.e., Kspar, Mu, etc.) is stable with all assemblages.

EXAMPLE 4:

Ternary "AFM" diagrams, similar to example 2, but not graphite saturated. Intended to illustrate the effects of changing the component saturation hierarchy in example 2.

EXAMPLE 5:

Classical "Thompson AFM diagram" diagrams.

EXAMPLE 6:

Silica chemical potential vs. fluid composition Schreinemakers diagram for the system CaO-SiO2-Al2O3-SiO2-H2O-CO2-O2 at constant pressure, temperature, and oxygen chemical potential. An updated on-line version of this example illustrates the conversion of chemical potentials to activities (program MU_2_F).

EXAMPLE 7:

Oxygen chemical potential vs. Sulfur chemical potential Schreinemakers diagram for the system Cu-Fe-Ni.

EXAMPLE 8:

Schreinemakers P-T projection for the system CaO-MgO-SiO2-H2O-CO2 with a fluid of variable composition (Connolly & Trommsdorff 1991).

EXAMPLE 9:

T-X(Mg)diagram for the system the graphite-saturated system MgO-FeO-Al2O3-K2O-SiO2-C-O-H.

EXAMPLE 10:

T-X(SiO2) liquidus diagram for the system the CaO-SiO2.

EXAMPLE 11:

T-X(O) Screinemakers diagram for the graphite saturated system CaO-FeO-Al2O3-SiO2-C-O-H-S (Connolly & Cesare 1993, Connolly 1995).

EXAMPLE 12:

This example is obsolete in Post 06 versions of Perple_X. Mode 1 pseudosection calculation; as documented in the pseudosection tutorial (Connolly & Petrini 2002).

EXAMPLE 13:

Mode 2 pseudosection calculation. This dialog is for the same problem as Example 12, but illustrates the gridded minimization strategy (Connolly 2005). See alternative versions of examples 7 and 9 (jn7.dat, jn9.dat) for additional examples of gridded minimization.

EXAMPLE 15:

Molecular fluid speciation as a function of composition with programs SPECIES, PSVDRAW, and COHSRK. Perple_X includes a number or routines for the calculation of the speciation of COHS fluids, this example illustrates the calculation of COHS fluid speciation along the graphite saturation surface as a function of X(O) (the atomic fraction of oxygen relative to hydrogen + oxygen). The same programs can be used to calculate fluid speciation as a function of f(O2) or f(CO2), an example of the dialog for calculation of COHN fluid speciation as a function of f(O2) is also provided below.

EXAMPLE 16:

Solvii can be calculated in a number of ways within Perple_X for both solids and fluids, the dialog here illustrates the calculation of the methane- and CO2-rich solvii for COH fluids along the graphite saturation surface as a mixed variable phase diagram computation. To make the diagram two-dimensional the phase relations on the graphite saturation surface are projected onto the H-O join, the position of the solvii in the COH ternary can be computed as illustrated in EXAMPLE 15.

The same solvii, but calculated by gridded minimization:

EXAMPLE 17:

Creation of endmembers with FRENDLY for the Holland & Powell (2001, J Pet) and White et al. (2001, JMG) haplo-granite melt models. This method of making endmembers is generally inferior to specifying a "make definition" in the header of thermodynamic file (for example, see the definitions in hp02ver.dat).

EXAMPLE 18:

Melt fractionation calculation documented in the phase fractionation tutorial.

EXAMPLE 19:

Phase diagram section depicting melting phase relations as a function of water-content and pressure and temperature along a Barrovian geothermal gradient. This calculation uses gridded minimization and is documented in the T-X, P-X, and X-X pseudosection tutorial as discussed in Connolly (2005). The tutorial describes how to use WERAMI to refine the compositional ranges specified for a solution model.

EXAMPLE 20:

Mineral and melt proportions during isentropic decompression by gridded minimization. The calculation is for an ultramafic bulk composition using the pMELTS model of Ghiroso et al (2002) with all remaining data from Holland & Powell (1998). This calculation uses gridded minimization and is documented in the adiabtatic crystallization tutorial as discussed in Connolly (2005).

EXAMPLE 21:

Two-dimensional (space-time) phase fractionation calculation used to model open system behavior during infiltration-driven subduction zone decarbonation. These input files generate a low resolution version of the example discussed in Connolly (2005). NOTE: The files provided for this example can only be read by pre-6.7.5 versions of Perple_X, current (6.8.6+) versions read the files accessed from the FRAC2D reactive-transport page.

EXAMPLE 22:

Isobaric H2O-SiO2-Al2O3 saturated phase relations in the KNASH system as a function of Temperature and Composition [X(C2)=K/{K+Na}] by gridded minimization. This example illustrates possible complications from using solvus testing to compute phase relations.

EXAMPLE 23:

Upper mantle mineralogy and seismic velocities. This Perple_X example is provided primarily to demonstrate that even low resolution calculations with Perple_X reproduce results obtained with non-linear optimization strategies.

EXAMPLE 24:

Mantle mineralogy for a Martian model composition and aerotherm. This example Perple_X illustrates calculations for an arbitrary set of physical conditions (i.e., a path) and the use of the "modes of all phases" property choice in WERAMI. The example is outlined in full at perplex_66_example24.

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