[cig-commits] [commit] master, validate_MT_params: Added HP_2011_fluids (c93dba0)

[cig_noreply at geodynamics.org]

Repository : https://github.com/geodynamics/burnman

On branches: master,validate_MT_params
Link       : https://github.com/geodynamics/burnman/compare/80c2a295c42dfdb38f83f6c1334bf7d8f97a8463...409647ff05dfad6a686198cac1481bd46b5e2e62

>---------------------------------------------------------------

commit c93dba02461628c26514871ee74588290104aee1
Author: Bob Myhill <myhill.bob at gmail.com>
Date:   Fri Dec 12 17:43:11 2014 -0800

    Added HP_2011_fluids


>---------------------------------------------------------------

c93dba02461628c26514871ee74588290104aee1
 burnman/minerals/HP_2011_fluids.py | 130 +++++++++++++++++++++++++++++++++++++
 1 file changed, 130 insertions(+)

diff --git a/burnman/minerals/HP_2011_fluids.py b/burnman/minerals/HP_2011_fluids.py
new file mode 100644
index 0000000..bbc41bf
--- /dev/null
+++ b/burnman/minerals/HP_2011_fluids.py
@@ -0,0 +1,130 @@
+# BurnMan - a lower mantle toolkit
+# Copyright (C) 2012, 2013, Heister, T., Unterborn, C., Rose, I. and Cottaar, S.
+# Released under GPL v2 or later.
+
+"""
+
+HP_2011_fluids
+^^^^^^^^
+
+Fluids from Holland and Powell 2011 and references therein.
+CORK parameters:
+CHO gases from Holland and Powell, 1991. ["CO2",304.2,0.0738],["CH4",190.6,0.0460],["H2",41.2,0.0211],["CO",132.9,0.0350]
+H2O and S2 from Wikipedia, 2012/10/23. ["H2O",647.096,0.22060],["S2",1314.00,0.21000]
+H2S from ancyclopedia.airliquide.com, 2012/10/23. ["H2S",373.15,0.08937]
+
+NB: Units for cork[i] in Holland and Powell datasets are
+a = kJ^2/kbar*K^(1/2)/mol^2 -> multiply by 1e-2
+b = kJ/kbar/mol -> multiply by 1e-5
+c = kJ/kbar^1.5/mol -> multiply by 1e-9
+d = kJ/kbar^2/mol -> multiply by 1e-13
+
+Individual terms are divided through by P, P, P^1.5, P^2, so
+[0][j] -> multiply by 1e6
+[1][j] -> multiply by 1e3
+[2][j] -> multiply by 1e3
+[3][j] -> multiply by 1e3
+
+cork_P: kbar -> multiply by 1e8
+"""
+
+from burnman.mineral import Mineral
+from burnman.processchemistry import read_masses, dictionarize_formula, formula_mass
+
+atomic_masses=read_masses()
+
+class CO2 (Mineral):
+    def __init__(self):
+        formula='CO2'
+        formula = dictionarize_formula(formula)
+        self.params = {
+            'name': 'carbon dioxide',
+            'formula': formula,
+            'equation_of_state': 'cork',
+            'cork_params': [[5.45963e1,-8.63920e0], [9.18301e-1], [-3.30558e-2,2.30524e-3], [6.93054e-4,-8.38293e-5]],
+            'cork_T': 304.2,
+            'cork_P': 0.0738e8,
+            'H_0': -393.51e3,
+            'S_0': 213.7,
+            'Cp': [87.8, -2.644e-3, 706.4e3, -998.9]}
+
+
+class CH4 (Mineral):
+    def __init__(self):
+        formula='CH4'
+        formula = dictionarize_formula(formula)
+        self.params = {
+            'name': 'methane',
+            'formula': formula,
+            'equation_of_state': 'cork',
+            'cork_params': [[5.45963e1,-8.63920e0], [9.18301e-1], [-3.30558e-2,2.30524e-3], [6.93054e-4,-8.38293e-5]],
+            'cork_T': 190.6,
+            'cork_P': 0.0460e8,
+            'H_0': -74.81e3,
+            'S_0': 186.26,
+            'Cp': [150.1, 0.002063, 3427700., -2650.4]}
+
+
+class O2 (Mineral):
+    def __init__(self):
+        formula='O2'
+        formula = dictionarize_formula(formula)
+        self.params = {
+            'name': 'oxygen gas',
+            'formula': formula,
+            'equation_of_state': 'cork',
+            'cork_params': [[5.45963e1,-8.63920e0], [9.18301e-1], [-3.30558e-2,2.30524e-3], [6.93054e-4,-8.38293e-5]],
+            'cork_T': 0.,
+            'cork_P': 1.0e5,
+            'H_0': 0.,
+            'S_0': 205.2,
+            'Cp': [48.3, -0.000691, 499200., -420.7]}
+
+
+class H2 (Mineral):
+    def __init__(self):
+        formula='H2'
+        formula = dictionarize_formula(formula)
+        self.params = {
+            'name': 'hydrogen gas',
+            'formula': formula,
+            'equation_of_state': 'cork',
+            'cork_params': [[5.45963e1,-8.63920e0], [9.18301e-1], [-3.30558e-2,2.30524e-3], [6.93054e-4,-8.38293e-5]],
+            'cork_T': 41.2,
+            'cork_P': 0.0211e8,
+            'H_0': 0.,
+            'S_0': 130.7,
+            'Cp': [23.3, 0.004627, 0.0, 76.3]}
+
+
+class S2 (Mineral):
+    def __init__(self):
+        formula='S2'
+        formula = dictionarize_formula(formula)
+        self.params = {
+            'name': 'sulfur gas',
+            'formula': formula,
+            'equation_of_state': 'cork',
+            'cork_params': [[5.45963e1,-8.63920e0], [9.18301e-1], [-3.30558e-2,2.30524e-3], [6.93054e-4,-8.38293e-5]],
+            'cork_T': 1314.00,
+            'cork_P': 0.21000e8,
+            'H_0': 128.54e3,
+            'S_0': 231.0,
+            'Cp': [37.1, 0.002398, -161000.0, -65.0]}
+
+
+class H2S (Mineral):
+    def __init__(self):
+        formula='H2S'
+        formula = dictionarize_formula(formula)
+        self.params = {
+            'name': 'hydrogen sulfide',
+            'formula': formula,
+            'equation_of_state': 'cork',
+            'cork_params': [[5.45963e1,-8.63920e0], [9.18301e-1], [-3.30558e-2,2.30524e-3], [6.93054e-4,-8.38293e-5]],
+            'cork_T': 373.15,
+            'cork_P': 0.08937e8,
+            'H_0': 128.54e3,
+            'S_0': 231.0,
+            'Cp': [47.4, 0.010240, 615900., -397.8]}
+