def test_properties_substance_from_reaction(self):
reacLit2 = '''{
"TPMethods":[
{
"dr_ryzhenko_coeffs":{
"values":[
3.61,
1.563,
-193.7
]
},
"method":{
"10":"solute_eos_ryzhenko_gems"
}
}
],
"datasources":"Migdisov et al., 2016",
"equation":"LaSO4+_mi = La+3 + SO4-2",
"symbol":"LaSO4+_mi"
}'''
substLit2 = '''{
"symbol": "LaSO4+_mi",
"formula": "LaSO4+",
"reaction": "LaSO4+_mi"
}'''
db = thermofun.Database('pytests/mines16-sub-thermofun.json')
db.addReaction(reacLit2)
db.addSubstance(substLit2)
engine3 = thermofun.ThermoEngine(db)
assert engine3.thermoPropertiesSubstance(473.15, 0, "LaSO4+_mi").gibbs_energy.val == pytest.approx(-1426099.716850813, 1e-5, 1e-14)
assert engine3.thermoPropertiesSubstance(473.15, 0, "LaSO4+_mi").volume.val == pytest.approx(-1.883700250726727, 1e-5, 1e-14)
assert engine3.thermoPropertiesSubstance(473.15, 0, "LaSO4+_mi").entropy.val == pytest.approx(-168.47492835119232, 1e-5, 1e-14)
def setUp(self):
self.engine = thermofun.ThermoEngine(
'pytests/Substances/Solute/test-hkf-thermofun.json')
self.tolRel = {
'G': 1e-14,
'H': 1e-14,
'S': 1e-14,
'Cp': 1e-14,
'V': 1e-14
}
def setUp(self):
self.engine = thermofun.ThermoEngine('pytests/Reactions/Co_Cu_aq-thermofun.json')
def setUp(self):
self.engine = thermofun.ThermoEngine('pytests/test-thermoengine-thermofun.json')
self.engine2 = thermofun.ThermoEngine('pytests/test-aq17-gem-lma-thermofun.json')
def setUp(self):
self.engine = thermofun.ThermoEngine('pytests/Substances/Gases/mines16-thermofun.json')
def setUp(self):
self.engine = thermofun.ThermoEngine('pytests/Substances/Solids/Mo(s).json')
def setUp(self):
self.engine = thermofun.ThermoEngine(
'pytests/Reactions/test-logKfT-thermofun.json')
def setUp(self):
self.engine = thermofun.ThermoEngine(
'pytests/test-thermoengine-thermofun.json')