<p><strong>Perple_X</strong> (<a href="http://www.perplex.ethz.ch/" rel="nofollow noreferrer">http://www.perplex.ethz.ch/</a>) is software designed to do exactly that.</p>

<p>It has thermodynamic and mineral property databases for phases in interest. This is pretty much automation of method 3 given by the other answer.</p>

<p>In short, the way it works: you input your bulk composition, pressure, and temperature, and it spits out the phase relations.</p>

<p>A bit of warning: this software is very poorly documented with many tutorials and guides referring to older version that don't work exactly like the new one. I recommend going on their discussion forum which is very active, and the developer himself is commonly there. He is usually very responsive and can fix bugs pretty much on the spot (time-zone constraints permitting).</p>

CC BY-SA 4.0
2019-03-06T21:20:46.163Z
I'm vaguely aware of Perple_X but have never used it. Is it pretty similar to MELTS?
g.z.
CC BY-SA 4.0
2019-03-06T21:25:40.250Z
Not quite. MELTS was designed to do crystallisation and melting of mostly basalts, and expanded with time. Perple_X was designed to do many things from the start, including geophysical properties. It also includes the Stixrude databases which are relevant for mantle geophysics.

But all thermodynamic software has to be taken with a grain of salt e.g. https://doi.org/10.1093/petrology/egy105
Gimelist
CC BY-SA 4.0
2019-03-06T21:13:16.267Z
2019-03-06T21:13:16.267Z
Gimelist
<p>There are a couple of ways of going about this, but all require you to know the bulk composition of the system (usually given in wt% oxides). </p>

<p>Once you have that you can...</p>

<p>1) use a program like MELTS to calculate the phase equilibria.</p>

<p>2) Do some type of normative mineralogy calculation (see, for example, the CIPW norm). These sorts of heuristics depend on the P,T conditions.</p>

<p>3) Bust out your knowledge of thermodynamics and calculate the change in Gibbs Free Energy for the permutations of all the possible phases. I don't recommend doing this - it will take a very long time. </p>

CC BY-SA 4.0
2019-03-06T20:42:28.780Z
2019-03-06T20:42:28.780Z
g.z.
<p>I have information about temperature, pressure, normal and shear stresses, viscosity, conductivity, density, heat capacity and adiabatic heating for a particular area of mantle in the form of 2D matrices. I want to show phase relation for this region of mantle. Is there an equation (group of equations) which relates phase relation for mantle with these properties?</p>

CC BY-SA 3.0
2017-08-29T18:58:46.233Z
What is the composition of the mantle?
bon
CC BY-SA 3.0
2017-08-30T00:13:39.063Z
Phase as in minerals present? Like olivine, perovskite, ringwoodite etc?
Gimelist
CC BY-SA 3.0
2017-08-30T03:56:12.733Z
@Michael     yes i want to show composition?
Ather Cheema
CC BY-SA 3.0
2017-08-30T15:04:11.867Z
The mineral composition depends on the bulk composition, which is not homogenous throughout the mantle.
bon
<rocks><mineralogy><geodynamics><mantle>
Phase relation for mantle?
Ather Cheema
# Phase relation for mantle?

(Asked by: username_0 on 2017-08-29)

I have information about temperature, pressure, normal and shear stresses, viscosity, conductivity, density, heat capacity and adiabatic heating for a particular area of mantle in the form of 2D matrices. I want to show phase relation for this region of mantle. Is there an equation (group of equations) which relates phase relation for mantle with these properties?

**Tags:** rocks, mineralogy, geodynamics, mantle

> **Comments:**
> **username_1**: What is the composition of the mantle?  
> **username_2**: Phase as in minerals present? Like olivine, perovskite, ringwoodite etc?  
> **username_0**: @Michael     yes i want to show composition?  
> **username_1**: The mineral composition depends on the bulk composition, which is not homogenous throughout the mantle.  

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## 2 answers

### Answer by username_2 on 2019-03-06. Score: 1

**Perple\_X** (<http://www.perplex.ethz.ch/>) is software designed to do exactly that.

It has thermodynamic and mineral property databases for phases in interest. This is pretty much automation of method 3 given by the other answer.

In short, the way it works: you input your bulk composition, pressure, and temperature, and it spits out the phase relations.

A bit of warning: this software is very poorly documented with many tutorials and guides referring to older version that don't work exactly like the new one. I recommend going on their discussion forum which is very active, and the developer himself is commonly there. He is usually very responsive and can fix bugs pretty much on the spot (time-zone constraints permitting).

> **Comments:**
> **username_3**: I'm vaguely aware of Perple_X but have never used it. Is it pretty similar to MELTS?  
> **username_2**: Not quite. MELTS was designed to do crystallisation and melting of mostly basalts, and expanded with time. Perple_X was designed to do many things from the start, including geophysical properties. It also includes the Stixrude databases which are relevant for mantle geophysics.  But all thermodynamic software has to be taken with a grain of salt e.g. https://doi.org/10.1093/petrology/egy105  

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### Answer by username_3 on 2019-03-06. Score: 0

There are a couple of ways of going about this, but all require you to know the bulk composition of the system (usually given in wt% oxides).

Once you have that you can...

1) use a program like MELTS to calculate the phase equilibria.

2) Do some type of normative mineralogy calculation (see, for example, the CIPW norm). These sorts of heuristics depend on the P,T conditions.

3) Bust out your knowledge of thermodynamics and calculate the change in Gibbs Free Energy for the permutations of all the possible phases. I don't recommend doing this - it will take a very long time.


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