[cig-commits] [commit] add_gibbs_energy: Add interface for thermodynamic potentials (5aeee09)
cig_noreply at geodynamics.org
cig_noreply at geodynamics.org
Thu Dec 11 17:10:56 PST 2014
Repository : https://github.com/geodynamics/burnman
On branch : add_gibbs_energy
Link : https://github.com/geodynamics/burnman/compare/0000000000000000000000000000000000000000...2148b324d3e8aa7b527f831eb397590942563008
>---------------------------------------------------------------
commit 5aeee092d42d2e611bd19a7c4094f9715896a539
Author: ian-r-rose <ian.r.rose at gmail.com>
Date: Wed Aug 27 12:52:22 2014 -0700
Add interface for thermodynamic potentials
>---------------------------------------------------------------
5aeee092d42d2e611bd19a7c4094f9715896a539
burnman/equation_of_state.py | 86 ++++++++++++++++++++++++++++++++++++++++++++
1 file changed, 86 insertions(+)
diff --git a/burnman/equation_of_state.py b/burnman/equation_of_state.py
index 9d09e47..81c25c2 100644
--- a/burnman/equation_of_state.py
+++ b/burnman/equation_of_state.py
@@ -1,3 +1,4 @@
+
# BurnMan - a lower mantle toolkit
# Copyright (C) 2012, 2013, Heister, T., Unterborn, C., Rose, I. and Cottaar, S.
# Released under GPL v2 or later.
@@ -226,3 +227,88 @@ class EquationOfState(object):
else:
return 300.0
+
+ def gibbs_free_energy( self, pressure, temperature, volume, params ):
+ """
+ Parameters
+ ----------
+ pressure : float
+ Pressure at which to evaluate the equation of state. [Pa]
+ temperature : float
+ Temperature at which to evaluate the equation of state. [K]
+ volume : float
+ Molar volume of the mineral. For consistency this should be calculated
+ using :func:`volume`. [m^3]
+ params : dictionary
+ Dictionary containing material parameters required by the equation of state.
+
+ Returns
+ -------
+ G : float
+ Gibbs free energy of the mineral
+ """
+ raise NotImplementedError("")
+
+ def helmholtz_free_energy( self, pressure, temperature, volume, params ):
+ """
+ Parameters
+ ----------
+ pressure : float
+ Pressure at which to evaluate the equation of state. [Pa]
+ temperature : float
+ Temperature at which to evaluate the equation of state. [K]
+ volume : float
+ Molar volume of the mineral. For consistency this should be calculated
+ using :func:`volume`. [m^3]
+ params : dictionary
+ Dictionary containing material parameters required by the equation of state.
+
+ Returns
+ -------
+ F : float
+ Helmholtz free energy of the mineral
+ """
+ raise NotImplementedError("")
+
+
+ def enthalpy( self, pressure, temperature, volume, params ):
+ """
+ Parameters
+ ----------
+ pressure : float
+ Pressure at which to evaluate the equation of state. [Pa]
+ temperature : float
+ Temperature at which to evaluate the equation of state. [K]
+ volume : float
+ Molar volume of the mineral. For consistency this should be calculated
+ using :func:`volume`. [m^3]
+ params : dictionary
+ Dictionary containing material parameters required by the equation of state.
+
+ Returns
+ -------
+ H : float
+ Enthalpy of the mineral
+ """
+ raise NotImplementedError("")
+
+ def internal_energy( self, pressure, temperature, volume, params ):
+ """
+ Parameters
+ ----------
+ pressure : float
+ Pressure at which to evaluate the equation of state. [Pa]
+ temperature : float
+ Temperature at which to evaluate the equation of state. [K]
+ volume : float
+ Molar volume of the mineral. For consistency this should be calculated
+ using :func:`volume`. [m^3]
+ params : dictionary
+ Dictionary containing material parameters required by the equation of state.
+
+ Returns
+ -------
+ U : float
+ Internal energy of the mineral
+ """
+ raise NotImplementedError("")
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