NOTE: As of July 2011, Perple_X
6.6.6+ is the
default version of the Perple_X. An
unfortunate consequence of the change in versions is that most of the examples
and tutorials referred to here are out of date. The out-of-date examples and
tutorials are, in most cases, useful because the basic information passed
between the various programs has not changed although many of the prompts have
been eliminated or reordered.
and Chiara Groppo's Perple_X (6.8.6)
tutorial for petrological problems. This tutorial consists of 13 exercises
that comprise the practical part of a 30-hour advanced course on “Petrologic
phase diagrams: principles and computations” periodically offered to PhD
students at the University of Torino.
phase diagram section workshop (2019).
Problem for the practical of a 1-day course on phase diagram sections.
Craig Bina's geophysical phase
diagram tutorial (20171). Problems
relevant to mantle geophysics. This tutorial may be usefully combined with the
phase diagram section and extraction of rock
properties along a path tutorials.
Walter's metapelite phase diagram section tutorial (revised
20171). Guides the reader through a phase diagram section
calculation with explanatory commentary.
metacarbonate workshop (20161,2).
Problems for the practical of a 2-day course on meta-carbonate + COH-fluid
Dave Hirsch's Perple_X
petrological phase diagram tutorial (revised 20141,2).
Phase diagram calculations (composition diagrams, sections, and projections)
relevant to metamorphic petrologists. This tutorial is slightly
out-of-date, and was written primarily for Mac OSX
users; for WINDOWS users some lateral thinking may be required. This tutorial may be
usefully combined with the Perple_X
phase diagram section and, very
out-of-date, composition and
Schreinemakers diagram tutorials.
Mark Caddick's files for
the 2-day C2C Workshop on calculating phase diagram sections with Perple_X
- this is not really a tutorial (for that you need Mark), but the PowerPoint presentations
and exercises (see the 2nd PowerPoint presentation) may be useful teaching aids
(to browse the files follow this
tutorial (revised 20002)
is not current, so prompts and results obtained
now with Perple_X may differ from those in
the documentation. The tutorial may still be useful for learning how
to use Perple_X for classical petrological
phase diagram constructions (chemographies, phase diagram projections, and
isopotential phase diagram sections).
1As of the 6.8.6 revision
(January 24, 2019), the auto_refine_factor_X (X = I..III) options have been made
redundant by the specification of an auto-refine stage value in the
initial_resolution option. To implement changes to the auto_refine_factor_X
suggested in these notes in the current version of Perple_X,
set the second value of the initial_resolution option equal to the
old_initial_resolution/auto_refine_factor_X, where old_initial_resolution is the
value of initial_resolution used in the notes.
2As of the 6.7.4 revision
(July 11, 2017), calculations of chemographies, iso-potential phase diagram
sections, and Schreinemakers projections using Perple_X's
original convexhull optimization strategy are done in the program CONVEX rather
than in the program VERTEX as is suggested in these notes. If the current
version of VERTEX is used for such a calculation, the user is automatically
directed to use CONVEX.
The Perple_X on-line documentation
illustrates certain specific types of calculations. These illustrations often
assume some basic knowledge of the Perple_X
programs; for beginning users it may be more helpful to work through
the off-line tutorial and/or examples.
Flow charts of program structure
An on-line guide to example problems done with Perple_X.
Neither of the pages below is updated frequently, therefore it may be useful to
browse perplex/examples directly.
The original technical documentation is a potpourri of different kinds of information on topics
such as the equations of state implemented in Perple_X
for compounds and solutions and the structure of various Perple_X
data files. The technical documentation is not up-to-date and it is probably not a useful document for Perple_X novices.
Scripting and other OS specific utilities/instructions:
Links to various (user supplied) scripts and/or facilities that automate
aspects of Perple_X. Scripting
written for earlier
versions of Perple_X may not function as
written in current versions (6.6.6+) of Perple_X.
a C-script to run multiple batch jobs (courtesy of C.
C/R/Matlab/Python wrapper for MEEMUM:
Kaislaniemi's wrappers have been updated by Julien Cornet
for the 6.8.1
version of Perple_X. The wrappers allow C,
and R programs to call MEEMUM as a subroutine for phase equilibrium
compatibility of the wrapper with Perple_X
is determined by the common block structure in Perple_X,
this does not change often. The current version (April 2018) is likely to
remain compatible with future versions. Bob Myhill's Python cmake_perplex_script
automatically updates this wrapper.
OSX Apps that automate some simple, but often confusing, tasks
with Perple_X under OSX, courtesy of
Some tips on how to run
under OSX, courtesy of
- Matlab plotting scripts.
(Matlab script for fast, high resolution calculations with Perple_X).
for plotting Energy vs P/T diagrams, courtesy of JF Moyen (St-Etienne). See
cmake project to automatically update and compile Lars
C++/R/Matlab/Python wrapper for MEEMUM,
courtesy of Bob Myhill (Bristol).
a Python script to convert THERMOCALC site fraction expressions to Perple_X
courtesy of Bob Myhill (Bristol).
autoVertex - an OSX/Unix perl script that automates running VERTEX with
the "auto_refine" option. This script is now obsolete if VERTEX is
run with the "auto_refine" keyword set to "auto", however the script provides
a template for scripts to perform other tasks.
These are notes prepared (with emphasis on elementary), for short
courses some years ago. The first part deals with some basic thermodynamic principles,
especially G-X diagrams. The second part offers a brief (out of date) comparison
of computational methods, and elaborates on aspects of Perple_X algorithms.
Connolly JAD, Galvez ME (2018) Electrolytic
fluid speciation by Gibbs energy minimization and implications for
subduction zone mass transfer. Earth and Planetary Science Letters 501:1-13
doi: 10.1016/ j.epsl.2018.08.024
Connolly JAD (2017) A
Primer in Gibbs Energy Minimization for Geophysicists. Petrology
Connolly JAD (2016) Liquid-vapor
phase relations in the Si-O system: A calorically constrained van der
Waals-type model. Journal of
Geophysical Research-Planets 121:1641-1666 doi:10.1002/2016JE005059
Helffrich G, Connolly JAD (2009) Physical contradictions and remedies using simple polythermal equations of state.
American Mineralogist 94:1616-1619, doi:10.2138/am.2009.3262
Connolly, JAD (2009) The
geodynamic equation of state: what and how.
Geochemistry Geophysics Geosystems, 10:Q10014,
Connolly JAD (2005)
Computation of phase equilibria by linear
programming: a tool for geodynamic modeling and its application to subduction
zone decarbonation. EPSL 236:524–541 (Errata)
Connolly JAD, Kerrick DM (2002)
Metamorphic controls on seismic velocity of subducted oceanic crust at 100-250
Connolly JAD, Petrini K (2002)
An automated strategy for calculation
of phase diagram sections and retrieval of rock properties as a function
of physical conditions.
J Met Geol, 20:697-708. (Errata)
Connolly JAD (1995) Phase
diagram methods for graphitic rocks and application to the system C-O-H-FeO-TiO2-SiO2.
Contrib Mineral Petrol 119:94-116 (Errata)
Connolly JAD, Cesare B (1993) C-O-H-S
fluid composition and oxygen fugacity in graphitic metapelites. J
Metamorphic Geol 11:368-378 (Errata)
Abart R, Connolly JAD, Trommsdorff V (1992) Singular
point analysis: construction of Schreinemakers projections for systems
with a binary solution. Am J Sci 292:778-805
Connolly JAD, Trommsdorff V (1991) Petrogenetic grids for metacarbonate
rocks: pressure-temperature phase diagrams for mixed volatile systems. Contrib
Mineral Petrol 108: 93-105
Connolly JAD (1990) Multivariable
phase diagrams: an algorithm based on generalized thermodynamics. Am
J Sci 290:666-718 (Errata)
Connolly JAD, Kerrick DM (1987) An
algorithm and computer program for calculating composition phase diagrams.
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