Source code for burnman.minerals.HP_2011_fluids

# This file is part of BurnMan - a thermoelastic and thermodynamic toolkit for the Earth and Planetary Sciences
# Copyright (C) 2012 - 2017 by the BurnMan team, released under the GNU
# GPL v2 or later.


"""

HP_2011_fluids
^^^^^^^^^^^^^^

Fluids from Holland and Powell 2011 and references therein.
CORK parameters are taken from various sources.

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 is given in kbar: multiply by 1e8
"""

from __future__ import absolute_import

from ..classes.mineral import Mineral
from ..utils.chemistry import dictionarize_formula, formula_mass


[docs] 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], "n": sum(formula.values()), "molar_mass": formula_mass(formula), } Mineral.__init__(self)
[docs] 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, 3427700.0, -2650.4], "n": sum(formula.values()), "molar_mass": formula_mass(formula), } Mineral.__init__(self)
[docs] class O2(Mineral): def __init__(self): formula = "O2" formula = dictionarize_formula(formula) self.params = { "name": "oxygen", "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": 0.0, "cork_P": 1.0e5, "H_0": 0.0, "S_0": 205.2, "Cp": [48.3, -0.000691, 499200.0, -420.7], "n": sum(formula.values()), "molar_mass": formula_mass(formula), } Mineral.__init__(self)
[docs] class H2(Mineral): def __init__(self): formula = "H2" formula = dictionarize_formula(formula) self.params = { "name": "hydrogen", "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": 0.0, "S_0": 130.7, "Cp": [23.3, 0.004627, 0.0, 76.3], "n": sum(formula.values()), "molar_mass": formula_mass(formula), } Mineral.__init__(self)
[docs] class S2(Mineral): def __init__(self): formula = "S2" formula = dictionarize_formula(formula) self.params = { "name": "sulfur", "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], "n": sum(formula.values()), "molar_mass": formula_mass(formula), } Mineral.__init__(self)
[docs] 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, 615900.0, -397.8], "n": sum(formula.values()), "molar_mass": formula_mass(formula), } Mineral.__init__(self)