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test_stream.py
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'''Chemical Engineering Design Library (ChEDL). Utilities for process modeling.
Copyright (C) 2017 Caleb Bell <[email protected]>
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:
The above copyright notice and this permission notice shall be included in all
copies or substantial portions of the Software.
THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER
LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
SOFTWARE.
'''
from collections import OrderedDict
from math import *
import pytest
from chemicals import property_molar_to_mass
from chemicals.exceptions import OverspeficiedError
from fluids.numerics import assert_close, assert_close1d
from numpy.testing import assert_allclose
import json
from thermo import (
PR78MIX,
PRMIX,
CEOSGas,
CEOSLiquid,
ChemicalConstantsPackage,
FlashPureVLS,
FlashVLN,
HeatCapacityGas,
IdealGas,
PropertyCorrelationsPackage,
VolumeLiquid,
EquilibriumState,
VaporPressure,
)
from thermo.stream import EquilibriumStream, Stream, StreamArgs, mole_balance, energy_balance, EnergyStream
from thermo.chemical_package import ChemicalConstantsPackage, PropertyCorrelationsPackage
from thermo.flash import FlashPureVLS, FlashVLN
from thermo.heat_capacity import HeatCapacityGas
from thermo.interface import SurfaceTension, SurfaceTensionMixture
from thermo.phases import CEOSGas, CEOSLiquid, IdealGas, GibbsExcessLiquid
from thermo.thermal_conductivity import ThermalConductivityGas, ThermalConductivityLiquid, ThermalConductivityGasMixture, ThermalConductivityLiquidMixture
from thermo.vapor_pressure import VaporPressure
from thermo.viscosity import ViscosityGas, ViscosityLiquid, ViscosityGasMixture, ViscosityLiquidMixture
from thermo.volume import VolumeLiquid
@pytest.mark.deprecated
def test_Stream():
Stream(['H2', 'NH3', 'CO', 'Ar', 'CH4', 'N2'],
zs=[.7371, 0, .024, .027, .013, .2475],
T=500, P=20.5E5, m=300)
# Test the pressure will be set if none is specified
obj = Stream(['methanol'], T=305, zs=[1], n=1)
assert obj.P == obj.P_default
obj = Stream(['methanol'], P=1E5, zs=[1], n=1)
assert obj.T == obj.T_default
@pytest.mark.deprecated
def test_Stream_inputs():
compositions = {'zs': [0.6, 0.4], 'ws': [0.3697142863397261, 0.6302857136602741],
'Vfgs': [0.6, 0.4], 'Vfls': [0.31563000422121396, 0.6843699957787861]}
inputs = {'m': 2.9236544, 'n': 100, 'Q': 0.0033317638037953824}
flow_inputs = {'ns': [60.0, 40.0], 'ms': [1.0809168000000002, 1.8427376000000006],
'Qls': [0.0010846512497007257, 0.0023518130762336747], 'Qgs': [1.4966032712675834, 0.997735514178389]}
# Test ordereddict input
IDs = ['water', 'ethanol']
for key1, val1 in compositions.items():
d = OrderedDict()
for i, j in zip(IDs, val1):
d.update({i: j})
for key2, val2 in inputs.items():
m = Stream(T=300, P=1E5, **{key1:d, key2:val2})
# Check the composition
assert_close1d(m.zs, compositions['zs'], rtol=1E-6)
assert_close1d(m.zs, m.xs)
assert_close1d(m.Vfls(), compositions['Vfls'], rtol=1E-5)
assert_close1d(m.Vfgs(), compositions['Vfgs'], rtol=1E-5)
assert_close(m.n, inputs['n'])
assert_close(m.m, inputs['m'])
assert_close(m.Q, inputs['Q'], rtol=1e-5)
assert_close1d(m.ns, flow_inputs['ns'])
assert_close1d(m.ms, flow_inputs['ms'])
assert_close1d(m.Qls, flow_inputs['Qls'], rtol=1e-5)
assert_close1d(m.Qgs, flow_inputs['Qgs'], rtol=1e-5)
# Test ordereddict input with flow rates being given as dicts
for key, val in flow_inputs.items():
other_tol = 1e-7 if key not in ('Qls', 'Qgs') else 1e-5
d = OrderedDict()
for i, j in zip(IDs, val):
d.update({i: j})
m = Stream(T=300, P=1E5, **{key:d})
assert_close(m.n, inputs['n'], rtol=other_tol)
assert_close(m.m, inputs['m'], rtol=other_tol)
assert_close(m.Q, inputs['Q'], rtol=1e-5)
assert_close1d(m.ns, flow_inputs['ns'], rtol=other_tol)
assert_close1d(m.ms, flow_inputs['ms'], rtol=other_tol)
assert_close1d(m.Qls, flow_inputs['Qls'], rtol=1e-5)
assert_close1d(m.Qgs, flow_inputs['Qgs'], rtol=1e-5)
with pytest.raises(Exception):
# two compositions specified
Stream(['water', 'ethanol'], ns=[6, 4], ws=[.4, .6], T=300, P=1E5)
with pytest.raises(Exception):
# two flow rates specified
Stream(['water', 'ethanol'], ns=[6, 4], n=10, T=300, P=1E5)
with pytest.raises(Exception):
# no composition
Stream(['water', 'ethanol'], n=1, T=300, P=1E5)
with pytest.raises(Exception):
# no flow rate
Stream(['water', 'ethanol'], zs=[.5, .5], T=300, P=1E5)
for key1, val1 in compositions.items():
for key2, val2 in inputs.items():
m = Stream(['water', 'ethanol'], T=300, P=1E5, **{key1:val1, key2:val2})
assert_close(m.n, inputs['n'])
assert_close(m.m, inputs['m'])
assert_close(m.Q, inputs['Q'], rtol=1e-5)
assert_close1d(m.ns, flow_inputs['ns'])
assert_close1d(m.ms, flow_inputs['ms'])
assert_close1d(m.Qls, flow_inputs['Qls'], rtol=1e-5)
assert_close1d(m.Qgs, flow_inputs['Qgs'], rtol=1e-5)
for key, val in flow_inputs.items():
m = Stream(['water', 'ethanol'], T=300, P=1E5, **{key:val})
other_tol = 1e-7 if key not in ('Qls', 'Qgs') else 1e-5
assert_close(m.n, inputs['n'], rtol=other_tol)
assert_close(m.m, inputs['m'], rtol=other_tol)
assert_close(m.Q, inputs['Q'], rtol=1e-5)
assert_close1d(m.ns, flow_inputs['ns'], rtol=other_tol)
assert_close1d(m.ms, flow_inputs['ms'], rtol=other_tol)
assert_close1d(m.Qls, flow_inputs['Qls'], rtol=1e-5)
assert_close1d(m.Qgs, flow_inputs['Qgs'], rtol=1e-5)
@pytest.mark.deprecated
def test_stream_TP_Q():
n_known = 47.09364637244089
n = Stream(T=433.0, P=680E3, Q=3800.0/3600, IDs=['CO2'], zs=[1], Q_TP=(273.15, 101325, 'g')).n
assert_close(n, n_known, rtol=1e-3)
n = Stream(T=433.0, P=680E3, Q=3800.0/3600, IDs=['CO2'], zs=[1], Q_TP=(273.15, 101325, '')).n
assert_close(n, n_known, rtol=1e-3)
n = Stream(T=433.0, P=680E3, Q=3800.0/3600, IDs=['CO2'], zs=[1], Q_TP=(273.15, 101325, None)).n
assert_close(n, n_known, rtol=1e-3)
@pytest.mark.deprecated
def test_add_streams():
# simple example, same components
ans = {'zs': [0.4, 0.6], 'ws': [0.20679185022051716, 0.7932081497794828], 'm': 0.34847176, 'n': 10}
prod = Stream(['water', 'ethanol'], ns=[1, 2], T=300, P=1E5) + Stream(['water', 'ethanol'], ns=[3, 4], T=300, P=1E5)
assert_allclose(prod.zs, ans['zs'])
assert_allclose(prod.ws, ans['ws'])
assert_allclose(prod.m, ans['m'])
assert_allclose(prod.n, ans['n'])
# add a not a stream
with pytest.raises(Exception):
Stream(['decane', 'octane'], T=300, P=1E5, ns=[4, 5]) +1
# Add two streams, check they're the same if added in a different order
ans = {'zs': [1/6., 1/3., 1/3., 1/6.],
'ws': [0.12364762781718204, 0.3687607770917325, 0.3080280163630483, 0.1995635787280373],
'm': 0.92382298, 'n': 6}
S1 = Stream(['decane', 'octane'], T=300, P=1E5, ns=[2, 1])
S2 = Stream(['Dodecane', 'Tridecane'], T=300, P=1E5, ns=[2, 1])
prod = S1 + S2
assert_allclose(prod.ws, ans['ws'], rtol=2E-5)
assert_allclose(prod.zs, ans['zs'], rtol=2E-5)
assert_allclose(prod.m, ans['m'], rtol=1E-4)
assert_allclose(prod.n, ans['n'], rtol=2E-5)
prod = S2 + S1
assert_allclose(prod.ws, ans['ws'], rtol=2E-5)
assert_allclose(prod.zs, ans['zs'], rtol=2E-5)
assert_allclose(prod.m, ans['m'], rtol=1E-4)
assert_allclose(prod.n, ans['n'], rtol=2E-5)
@pytest.mark.deprecated
def test_sub_streams():
with pytest.raises(Exception):
# remove a component not present
Stream(['water', 'ethanol'], ns=[1, 2], T=300, P=1E5) - Stream(['decane'], ns=[.5], T=300, P=1E5)
with pytest.raises(Exception):
# Remove too much of a component
Stream(['water', 'ethanol'], ns=[1, 2], T=300, P=1E5) - Stream(['ethanol'], ns=[3], T=300, P=1E5)
# Take a component completely away
no_ethanol = Stream(['water', 'ethanol'], ns=[1, 2], T=300, P=1E5) - Stream(['ethanol'], ns=[2], T=300, P=1E5)
assert len(no_ethanol.zs) == 1
assert_allclose(no_ethanol.zs, 1)
assert_allclose(no_ethanol.n, 1)
assert_allclose(no_ethanol.m, 0.01801528)
# basic case
m = Stream(['water', 'ethanol'], ns=[1, 2], T=300, P=1E5) - Stream(['ethanol'], ns=[1], T=300, P=1E5)
assert_allclose(m.ns, [1, 1])
# test case
m = Stream(['water', 'ethanol', 'decane', 'pentane'], ns=[1, 2, 3, 1E-9], T=300, P=1E5) - Stream(['ethanol'], ns=[2], T=300, P=1E5)
assert_allclose(m.ns, [1, 3.0, 1e-09])
assert m.CASs == ['7732-18-5', '124-18-5', '109-66-0']
# Remove a bit more of the chemical that the tolerange allows for wrt total stream flow:
with pytest.raises(Exception):
Stream(['water', 'ethanol', 'decane', 'pentane'], ns=[1, 2, 3, 1E-9], T=300, P=1E5) - Stream(['ethanol', 'pentane'], ns=[2, 1E-9+1E-11], T=300, P=1E5)
with pytest.raises(Exception):
Stream(['water', 'ethanol'], ns=[1, 1], T=300, P=1E5) - Stream(['ethanol'], ns=[1+1E-12], T=300, P=1E5)
m = Stream(['water', 'ethanol'], ns=[1, 1], T=300, P=1E5) - Stream(['ethanol'], ns=[1+9E-13], T=300, P=1E5)
assert m.CASs == ['7732-18-5']
# Relative to its own stream, removal threshold
with pytest.raises(Exception):
# test abs(ns_self[i] - nj)/ns_self[i] > 1E-9
Stream(['water', 'ethanol'], ns=[1, 1E-12], T=300, P=1E5) - Stream(['ethanol'], ns=[1E-12+1E-20], T=300, P=1E5)
# test with a little less it gets removed safely, one part in nine extra of the component
m = Stream(['water', 'ethanol'], ns=[1, 1E-12], T=300, P=1E5) - Stream(['ethanol'], ns=[1E-12+1E-21], T=300, P=1E5)
assert m.CASs == ['7732-18-5']
# test relative to the product flow rate, ensure we don't remove any extra that results in the extra being much more than the product
with pytest.raises(Exception):
m = Stream(['water', 'ethanol'], ns=[1E-7, 1], T=300, P=1E5) - Stream(['ethanol'], ns=[1+1E-15], T=300, P=1E5)
m = Stream(['water', 'ethanol'], ns=[1E-7, 1], T=300, P=1E5) - Stream(['ethanol'], ns=[1+1E-16], T=300, P=1E5)
assert_allclose(m.n, 1E-7, rtol=1E-12)
assert m.CASs == ['7732-18-5']
@pytest.fixture(
params=[
(StreamArgs,{}),
(EnergyStream,dict(Q=0))
],
ids="StreamArgs EnergyStream".split()
)
def any_type_of_stream(request):
return request.param
def test_stream_copy(any_type_of_stream):
stream_type, param = any_type_of_stream
expected_args = stream_type(**param)
# when copied
stream_copy = expected_args.copy()
# then
assert isinstance(stream_copy, stream_type)
def test_child_class_copy(any_type_of_stream):
# lets say user wants to enhance StreamArgs class by:
stream_type, param = any_type_of_stream
class EnhancedStreamArgs(stream_type):
pass
expected_args = EnhancedStreamArgs(**param)
# when copied
stream_copy = expected_args.copy()
# then
assert isinstance(stream_copy, EnhancedStreamArgs)
def test_StreamArgs_flow_overspecified():
with pytest.raises(OverspeficiedError):
StreamArgs(n=6, m=4)
with pytest.raises(OverspeficiedError):
StreamArgs(Q=4, m=4)
with pytest.raises(OverspeficiedError):
StreamArgs(Q=4, n=2)
def test_StreamArgs_balance_ns():
f1 = StreamArgs(n=6, ns=[1,None, 4])
assert_close1d(f1.ns, [1, 1.0, 4])
f1 = StreamArgs(n=6, ns=[None])
assert_close1d(f1.ns, [6])
f1 = StreamArgs(n=6, ns=[1, None])
assert_close1d(f1.ns, [1, 5])
f1 = StreamArgs(n=-6, ns=[-1, None])
assert_close1d(f1.ns, [-1, -5])
f1 = StreamArgs(n=-6, ns=[-1, 2, None])
assert_close1d(f1.ns, [-1, 2, -7.0])
# Basic check that n_calc works
f1 = StreamArgs(ns=[3, 2, 5])
assert_close(f1.n_calc, 10)
# Check that all can be specified without an error
f1 = StreamArgs(n=10, ns=[3, 2, 5])
# Check that the value can indeed differ, but that a stricter check works
f1 = StreamArgs(n=10*(1+5e-16), ns=[3, 2, 5])
with pytest.raises(ValueError):
f1.reconcile_flows(n_tol=3e-16)
json_data = f1.as_json()
json_data = json.loads(json.dumps(json_data))
new_obj = StreamArgs.from_json(json_data)
assert new_obj == f1
def test_StreamArgs_balance_ms():
f1 = StreamArgs(m=6, ms=[1,None, 4])
assert_close1d(f1.ms, [1, 1.0, 4])
f1 = StreamArgs(m=6, ms=[None])
assert_close1d(f1.ms, [6])
f1 = StreamArgs(m=6, ms=[1, None])
assert_close1d(f1.ms, [1, 5])
f1 = StreamArgs(m=-6, ms=[-1, None])
assert_close1d(f1.ms, [-1, -5])
f1 = StreamArgs(m=-6, ms=[-1, 2, None])
assert_close1d(f1.ms, [-1, 2, -7.0])
# Basic check that m_calc works
f1 = StreamArgs(ms=[3, 2, 5])
assert_close(f1.m_calc, 10)
# Check that all cam be specified without an error
f1 = StreamArgs(m=10, ms=[3, 2, 5])
# Check that the value can indeed differ, but that a stricter check works
f1 = StreamArgs(m=10*(1+5e-16), ms=[3, 2, 5])
with pytest.raises(ValueError):
f1.reconcile_flows(m_tol=3e-16)
def test_mole_balance_forward():
# First test case - solve for an outlet ns
f0 = StreamArgs(ns=[1,2,3,4])
f1 = StreamArgs(n=5, zs=[.5, 0, 0, .5])
p0 = StreamArgs()
progress = mole_balance([f0, f1], [p0], compounds=4)
assert progress
p0_ns_expect = [3.5, 2.0, 3.0, 6.5]
assert_allclose(p0.ns, p0_ns_expect)
progress = mole_balance([f0, f1], [p0], compounds=4)
assert not progress
# Second test case - solve for an outlet ns with two outlets
f0 = StreamArgs(ns=[1,2,3,4])
f1 = StreamArgs(n=5, zs=[.5, 0, 0, .5])
p0 = StreamArgs()
p1 = StreamArgs(n=1, zs=[.25, .25, .25, .25])
progress = mole_balance([f0, f1], [p0, p1], compounds=4)
p0_ns_expect = [3.25, 1.75, 2.75, 6.25]
assert_allclose(p0.ns, p0_ns_expect)
progress = mole_balance([f0, f1], [p0, p1], compounds=4)
assert not progress
# Third test case - solve for an outlet ns with three outlets, p1 unknown
f0 = StreamArgs(ns=[1,2,3,4])
f1 = StreamArgs(n=5, zs=[.5, 0, 0, .5])
p0 = StreamArgs(n=1, zs=[.25, .25, .25, .25])
p1 = StreamArgs()
p2 = StreamArgs(n=1, zs=[.5, .5, .5, .5])
progress = mole_balance([f0, f1], [p0, p1, p2], compounds=4)
assert progress
p1_ns_expect = [2.75, 1.25, 2.25, 5.75]
assert_allclose(p1.ns, p1_ns_expect)
progress = mole_balance([f0, f1], [p0, p1, p2], compounds=4)
assert not progress
# Fourth test case - solve for an outlet ns with three outlets, p1 unknown, negative flows
f0 = StreamArgs(ns=[1,2,3,4])
f1 = StreamArgs(n=5, zs=[.5, 0, 0, .5])
p0 = StreamArgs(n=1, zs=[.25, .25, .25, .25])
p1 = StreamArgs()
p2 = StreamArgs(n=1, zs=[-50, .5, 50, -50])
progress = mole_balance([f0, f1], [p0, p1, p2], compounds=4)
assert progress
p1_ns_expect = [53.25, 1.25, -47.25, 56.25]
assert_allclose(p1.ns, p1_ns_expect)
progress = mole_balance([f0, f1], [p0, p1, p2], compounds=4)
assert not progress
# Fifth test - do component balances at end
f0 = StreamArgs(ns=[1, 2, 3, None])
f1 = StreamArgs(ns=[3, 5, 9, 3])
p0 = StreamArgs(ns=[None, None, None, 5])
progress = mole_balance([f0, f1], [p0], compounds=4)
assert progress
f0_ns_expect = [1, 2, 3, 2]
f1_ns_expect = [3, 5, 9, 3]
p0_ns_expect = [4, 7, 12, 5]
assert_allclose(p0.ns, p0_ns_expect)
assert_allclose(f0.ns, f0_ns_expect)
assert_allclose(f1.ns, f1_ns_expect)
progress = mole_balance([f0, f1], [p0], compounds=4)
assert not progress
# Six test - can only solve some specs not all specs
f0 = StreamArgs(ns=[1, None, 3, None])
f1 = StreamArgs(ns=[None, 5, 9, 3])
p0 = StreamArgs(ns=[4, None, None, 5])
progress = mole_balance([f0, f1], [p0], compounds=4)
assert progress
f0_ns_expect = [1, None, 3, 2]
f1_ns_expect = [3, 5, 9, 3]
p0_ns_expect = [4, None, 12, 5]
assert_close1d(p0.ns, p0_ns_expect)
assert_close1d(f0.ns, f0_ns_expect)
assert_close1d(f1.ns, f1_ns_expect)
progress = mole_balance([f0, f1], [p0], compounds=4)
assert not progress
# 7th random test
f0 = StreamArgs(ns=[1, 2, 3, 4])
f1 = StreamArgs(ns=[None, None, None, None])
p0 = StreamArgs(ns=[0, 6, 7, 9])
progress = mole_balance([p0], [f0, f1], compounds=4)
assert progress
assert_close1d(p0.ns, [0, 6, 7, 9])
assert_close1d(f0.ns,[1, 2, 3, 4])
assert_close1d(f1.ns, [-1.0, 4.0, 4.0, 5.0])
progress = mole_balance([p0], [f0, f1], compounds=4)
assert not progress
# 8th test, mole balance at end
f0 = StreamArgs(ns=[1, 2, 3, 4])
f1 = StreamArgs()
f2 = StreamArgs(n=5)
p0 = StreamArgs(ns=[0, 6, 7, 9])
progress = mole_balance([f0, f1, f2], [p0], compounds=4)
assert progress
ns_expect = [10, 7.0, 5, 22]
ns_now = [f0.n_calc, f1.n_calc, f2.n_calc, p0.n_calc]
assert_close1d(ns_expect, ns_now)
f0.ns, f1.ns, f2.ns, p0.ns, ()
progress = mole_balance([f0, f1, f2], [p0], compounds=4)
assert not progress
# 9th test, mole balance at end goes nowhere
f0 = StreamArgs(ns=[1, 2, 3, 4])
f1 = StreamArgs()
f2 = StreamArgs()
p0 = StreamArgs(ns=[0, 6, 7, 9])
progress = mole_balance([f0, f1, f2], [p0], compounds=4)
assert not progress
ns_expect = [10, None, None, 22]
ns_now = [f0.n_calc, f1.n_calc, f2.n_calc, p0.n_calc]
assert_close1d(ns_expect, ns_now)
def test_mole_balance_backward():
# THESE ARE ALL THE SAME TEST CASES - JUST SWITCH WHICH in/out LIST IS GIVEN AS INLET/OUTLET
# First test case - solve for an outlet ns
f0 = StreamArgs(ns=[1,2,3,4])
f1 = StreamArgs(n=5, zs=[.5, 0, 0, .5])
p0 = StreamArgs()
progress = mole_balance([p0], [f0, f1], compounds=4)
assert progress
p0_ns_expect = [3.5, 2.0, 3.0, 6.5]
assert_allclose(p0.ns, p0_ns_expect)
progress = mole_balance([p0], [f0, f1], compounds=4)
assert not progress
# Second test case - solve for an outlet ns with two outlets
f0 = StreamArgs(ns=[1,2,3,4])
f1 = StreamArgs(n=5, zs=[.5, 0, 0, .5])
p0 = StreamArgs()
p1 = StreamArgs(n=1, zs=[.25, .25, .25, .25])
progress = mole_balance([p0, p1], [f0, f1], compounds=4)
p0_ns_expect = [3.25, 1.75, 2.75, 6.25]
assert_allclose(p0.ns, p0_ns_expect)
progress = mole_balance([p0, p1], [f0, f1], compounds=4)
assert not progress
# Third test case - solve for an outlet ns with three outlets, p1 unknown
f0 = StreamArgs(ns=[1,2,3,4])
f1 = StreamArgs(n=5, zs=[.5, 0, 0, .5])
p0 = StreamArgs(n=1, zs=[.25, .25, .25, .25])
p1 = StreamArgs()
p2 = StreamArgs(n=1, zs=[.5, .5, .5, .5])
progress = mole_balance([p0, p1, p2], [f0, f1], compounds=4)
assert progress
p1_ns_expect = [2.75, 1.25, 2.25, 5.75]
assert_allclose(p1.ns, p1_ns_expect)
progress = mole_balance([p0, p1, p2], [f0, f1], compounds=4)
assert not progress
# Fourth test case - solve for an outlet ns with three outlets, p1 unknown, negative flows
f0 = StreamArgs(ns=[1,2,3,4])
f1 = StreamArgs(n=5, zs=[.5, 0, 0, .5])
p0 = StreamArgs(n=1, zs=[.25, .25, .25, .25])
p1 = StreamArgs()
p2 = StreamArgs(n=1, zs=[-50, .5, 50, -50])
progress = mole_balance([p0, p1, p2], [f0, f1], compounds=4)
assert progress
p1_ns_expect = [53.25, 1.25, -47.25, 56.25]
assert_allclose(p1.ns, p1_ns_expect)
progress = mole_balance( [p0, p1, p2], [f0, f1], compounds=4)
assert not progress
# Fifth test - do component balances at end
f0 = StreamArgs(ns=[1, 2, 3, None])
f1 = StreamArgs(ns=[3, 5, 9, 3])
p0 = StreamArgs(ns=[None, None, None, 5])
progress = mole_balance([p0], [f0, f1], compounds=4)
assert progress
f0_ns_expect = [1, 2, 3, 2]
f1_ns_expect = [3, 5, 9, 3]
p0_ns_expect = [4, 7, 12, 5]
assert_allclose(p0.ns, p0_ns_expect)
assert_allclose(f0.ns, f0_ns_expect)
assert_allclose(f1.ns, f1_ns_expect)
progress = mole_balance([p0], [f0, f1], compounds=4)
assert not progress
# Six test - can only solve some specs not all specs
f0 = StreamArgs(ns=[1, None, 3, None])
f1 = StreamArgs(ns=[None, 5, 9, 3])
p0 = StreamArgs(ns=[4, None, None, 5])
progress = mole_balance([p0], [f0, f1], compounds=4)
assert progress
f0_ns_expect = [1, None, 3, 2]
f1_ns_expect = [3, 5, 9, 3]
p0_ns_expect = [4, None, 12, 5]
assert_close1d(p0.ns, p0_ns_expect)
assert_close1d(f0.ns, f0_ns_expect)
assert_close1d(f1.ns, f1_ns_expect)
progress = mole_balance([p0], [f0, f1], compounds=4)
assert not progress
# 7th random test
f0 = StreamArgs(ns=[1, 2, 3, 4])
f1 = StreamArgs(ns=[None, None, None, None])
p0 = StreamArgs(ns=[0, 6, 7, 9])
progress = mole_balance([f0, f1], [p0], compounds=4)
assert progress
assert_close1d(p0.ns, [0, 6, 7, 9])
assert_close1d(f0.ns,[1, 2, 3, 4])
assert_close1d(f1.ns, [-1.0, 4.0, 4.0, 5.0])
progress = mole_balance([f0, f1], [p0], compounds=4)
assert not progress
# 8th test, mole balance at end
f0 = StreamArgs(ns=[1, 2, 3, 4])
f1 = StreamArgs()
f2 = StreamArgs(n=5)
p0 = StreamArgs(ns=[0, 6, 7, 9])
progress = mole_balance([p0], [f0, f1, f2], compounds=4)
assert progress
ns_expect = [10, 7.0, 5, 22]
ns_now = [f0.n_calc, f1.n_calc, f2.n_calc, p0.n_calc]
assert_close1d(ns_expect, ns_now)
progress = mole_balance([p0], [f0, f1, f2], compounds=4)
assert not progress
# 9th test, mole balance at end goes nowhere
f0 = StreamArgs(ns=[1, 2, 3, 4])
f1 = StreamArgs()
f2 = StreamArgs()
p0 = StreamArgs(ns=[0, 6, 7, 9])
progress = mole_balance([p0], [f0, f1, f2], compounds=4)
assert not progress
ns_expect = [10, None, None, 22]
ns_now = [f0.n_calc, f1.n_calc, f2.n_calc, p0.n_calc]
assert_close1d(ns_expect, ns_now)
def test_energy_balance():
from thermo import IAPWS95Liquid, IAPWS95Gas, iapws_constants, iapws_correlations
from thermo.stream import energy_balance, EnergyStream
liquid = IAPWS95Liquid(T=300, P=1e5, zs=[1])
gas = IAPWS95Gas(T=300, P=1e5, zs=[1])
flasher = FlashPureVLS(iapws_constants, iapws_correlations, gas, [liquid], [])
in_known = EquilibriumStream(m=5, P=1e5, T=340, flasher=flasher, zs=[1])
in_unknown = StreamArgs(P=1e5, T=330, flasher=flasher, zs=[1])
out_known = EquilibriumStream(m=4, P=1e5, T=350, flasher=flasher, zs=[1])
out_unknown = StreamArgs(P=1e5, T=329, flasher=flasher, zs=[1])
json_data = in_unknown.as_json()
json_data = json.loads(json.dumps(json_data))
new_obj = StreamArgs.from_json(json_data)
assert new_obj == in_unknown
energy_balance([in_known,in_unknown], [out_unknown, out_known], reactive=False, use_mass=True)
in_unknown = in_unknown.stream()
out_unknown = out_unknown.stream()
assert_close(in_known.energy+in_unknown.energy, out_unknown.energy + out_known.energy, rtol=1e-13)
assert_close(in_known.m+in_unknown.m ,out_unknown.m + out_known.m, rtol=1e-13)
assert_close(in_unknown.m, 29.06875321803928)
assert_close(out_unknown.m, 30.06875321803839)
json_data = in_unknown.as_json()
json_data = json.loads(json.dumps(json_data))
new_obj = StreamArgs.from_json(json_data)
assert new_obj == in_unknown
json_data = out_unknown.as_json()
json_data = json.loads(json.dumps(json_data))
new_obj = StreamArgs.from_json(json_data)
assert new_obj == out_unknown
# Run the same test reactive
in_known = EquilibriumStream(m=5, P=1e5, T=340, flasher=flasher, zs=[1])
in_unknown = StreamArgs(P=1e5, T=330, flasher=flasher, zs=[1])
out_known = EquilibriumStream(m=4, P=1e5, T=350, flasher=flasher, zs=[1])
out_unknown = StreamArgs(P=1e5, T=329, flasher=flasher, zs=[1])
energy_balance([in_known,in_unknown], [out_unknown, out_known], reactive=True, use_mass=True)
in_unknown = in_unknown.stream()
out_unknown = out_unknown.stream()
assert_close(in_known.energy+in_unknown.energy, out_unknown.energy + out_known.energy, rtol=1e-13)
assert_close(in_known.m+in_unknown.m ,out_unknown.m + out_known.m, rtol=1e-13)
assert_close(in_unknown.m, 29.06875321803928)
assert_close(out_unknown.m, 30.06875321803839)
# Test with dummy energy streams
in_known = EquilibriumStream(m=5, P=1e5, T=340, flasher=flasher, zs=[1])
in_unknown = StreamArgs(P=1e5, T=330, flasher=flasher, zs=[1])
out_known = EquilibriumStream(m=4, P=1e5, T=350, flasher=flasher, zs=[1])
out_unknown = StreamArgs(P=1e5, T=329, flasher=flasher, zs=[1])
energy_balance([in_known,in_unknown, EnergyStream(Q=1e-100)], [out_unknown, out_known, EnergyStream(Q=1e-100)], reactive=False, use_mass=True)
in_unknown = in_unknown.stream()
out_unknown = out_unknown.stream()
assert_close(in_known.energy+in_unknown.energy, out_unknown.energy + out_known.energy, rtol=1e-13)
assert_close(in_known.m+in_unknown.m ,out_unknown.m + out_known.m, rtol=1e-13)
assert_close(in_unknown.m, 29.06875321803928)
assert_close(out_unknown.m, 30.06875321803839)
# Run the same test reactive
in_known = EquilibriumStream(m=5, P=1e5, T=340, flasher=flasher, zs=[1])
in_unknown = StreamArgs(P=1e5, T=330, flasher=flasher, zs=[1])
out_known = EquilibriumStream(m=4, P=1e5, T=350, flasher=flasher, zs=[1])
out_unknown = StreamArgs(P=1e5, T=329, flasher=flasher, zs=[1])
energy_balance([in_known,in_unknown, EnergyStream(Q=1e-100)], [out_unknown, out_known], reactive=True, use_mass=True)
in_unknown = in_unknown.stream()
out_unknown = out_unknown.stream()
assert_close(in_known.energy+in_unknown.energy, out_unknown.energy + out_known.energy, rtol=1e-13)
assert_close(in_known.m+in_unknown.m ,out_unknown.m + out_known.m, rtol=1e-13)
assert_close(in_unknown.m, 29.06875321803928)
assert_close(out_unknown.m, 30.06875321803839)
def test_energy_balance_mass_two_unknown_inlets():
from thermo import IAPWS95Liquid, IAPWS95Gas, iapws_constants, iapws_correlations
from thermo.stream import energy_balance, EnergyStream
liquid = IAPWS95Liquid(T=300, P=1e5, zs=[1])
gas = IAPWS95Gas(T=300, P=1e5, zs=[1])
flasher = FlashPureVLS(iapws_constants, iapws_correlations, gas, [liquid], [])
for reactive in (True, False):
in0 = StreamArgs(P=1e5, T=340, flasher=flasher, zs=[1])
in1 = StreamArgs(P=1e5, T=330, flasher=flasher, zs=[1])
out1 = EquilibriumStream(m=4, P=1e5, T=350, flasher=flasher, zs=[1])
out2 = EquilibriumStream(P=1e5, m=30.06875321803839, T=329, flasher=flasher, zs=[1])
progress = energy_balance([in0,in1], [out1, out2], reactive=reactive, use_mass=True)
assert progress
in0 = in0.stream()
in1 = in1.stream()
assert_close(in0.energy+in1.energy, out1.energy + out2.energy, rtol=1e-13)
assert_close(in0.m+in1.m ,out1.m + out2.m, rtol=1e-13)
assert_close(in0.m, 5)
assert_close(in1.m, 29.06875321803928)
# with energy streams too
in0 = StreamArgs(P=1e5, T=340, flasher=flasher, zs=[1])
in1 = StreamArgs(P=1e5, T=330, flasher=flasher, zs=[1])
out1 = EquilibriumStream(m=4, P=1e5, T=350, flasher=flasher, zs=[1])
out2 = EquilibriumStream(P=1e5, m=30.06875321803839, T=329, flasher=flasher, zs=[1])
progress = energy_balance([EnergyStream(Q=1e-300), in0,in1,EnergyStream(Q=1e-100),EnergyStream(Q=1e-20)], [out1, out2,EnergyStream(Q=1e-100)], reactive=reactive, use_mass=True)
assert progress
in0 = in0.stream()
in1 = in1.stream()
assert_close(in0.energy+in1.energy, out1.energy + out2.energy, rtol=1e-13)
assert_close(in0.m+in1.m ,out1.m + out2.m, rtol=1e-13)
assert_close(in0.m, 5)
assert_close(in1.m, 29.06875321803928)
json_data = in0.as_json()
json_data = json.loads(json.dumps(json_data))
new_obj = StreamArgs.from_json(json_data)
assert new_obj == in0
def test_energy_balance_mass_two_unknown_outlets():
from thermo import IAPWS95Liquid, IAPWS95Gas, iapws_constants, iapws_correlations
from thermo.stream import energy_balance, EnergyStream
liquid = IAPWS95Liquid(T=300, P=1e5, zs=[1])
gas = IAPWS95Gas(T=300, P=1e5, zs=[1])
flasher = FlashPureVLS(iapws_constants, iapws_correlations, gas, [liquid], [])
for reactive in (True, False):
in0 = EquilibriumStream(P=1e5, T=340, m=5, flasher=flasher, zs=[1])
in1 = EquilibriumStream(P=1e5, T=330, m=29.06875321803928, flasher=flasher, zs=[1])
out0 = StreamArgs(P=1e5, T=350, flasher=flasher, zs=[1])
out1 = StreamArgs(P=1e5, T=329, flasher=flasher, zs=[1])
progress = energy_balance([in0,in1], [out0, out1], reactive=reactive, use_mass=True)
assert progress
out0 = out0.stream()
out1 = out1.stream()
assert_close(in0.energy+in1.energy, out0.energy + out1.energy, rtol=1e-13)
assert_close(in0.m+in1.m ,out0.m + out1.m, rtol=1e-13)
assert_close(out0.m, 4)
assert_close(out1.m, 30.06875321803839)
# with energy streams too
in0 = EquilibriumStream(P=1e5, T=340, m=5, flasher=flasher, zs=[1])
in1 = EquilibriumStream(P=1e5, T=330, m=29.06875321803928, flasher=flasher, zs=[1])
out0 = StreamArgs(P=1e5, T=350, flasher=flasher, zs=[1])
out1 = StreamArgs(P=1e5, T=329, flasher=flasher, zs=[1])
progress = energy_balance([in0,in1,EnergyStream(Q=1e-100),EnergyStream(Q=1e-100),EnergyStream(Q=1e-100)], [EnergyStream(Q=1e-100),out0, out1,EnergyStream(Q=1e-100)], reactive=reactive, use_mass=True)
assert progress
out0 = out0.stream()
out1 = out1.stream()
assert_close(in0.energy+in1.energy, out0.energy + out1.energy, rtol=1e-13)
assert_close(in0.m+in1.m ,out0.m + out1.m, rtol=1e-13)
assert_close(out0.m, 4)
assert_close(out1.m, 30.06875321803839)
def test_EquilibriumStream_unusual_inputs():
constants = ChemicalConstantsPackage(Tcs=[647.14], Pcs=[22048320.0], omegas=[0.344], MWs=[18.01528], CASs=['7732-18-5'],)
HeatCapacityGases = [HeatCapacityGas(poly_fit=(50.0, 1000.0, [5.543665000518528e-22, -2.403756749600872e-18, 4.2166477594350336e-15, -3.7965208514613565e-12, 1.823547122838406e-09, -4.3747690853614695e-07, 5.437938301211039e-05, -0.003220061088723078, 33.32731489750759]))]
correlations = PropertyCorrelationsPackage(constants, HeatCapacityGases=HeatCapacityGases, skip_missing=True)
kwargs = dict(eos_kwargs=dict(Tcs=constants.Tcs, Pcs=constants.Pcs, omegas=constants.omegas),
HeatCapacityGases=HeatCapacityGases)
P = 1e5
T = 200
liquid = CEOSLiquid(PR78MIX, T=T, P=P, zs=[1], **kwargs)
gas = CEOSGas(PR78MIX, T=T, P=P, zs=[1], **kwargs)
flasher = FlashPureVLS(constants, correlations, gas, [liquid], []) #
stream = EquilibriumStream(T=T, P=P, zs=[1], m=1, flasher=flasher)
identical_stream = EquilibriumStream(T=T, P=P, zs=[1], m=1, flasher=flasher)
assert stream == identical_stream
# flow_checks
stream_different_flow = EquilibriumStream(T=T, P=P, zs=[1], n=1, flasher=flasher)
assert stream !=stream_different_flow
check_base = EquilibriumStream(P=P, V=stream.V(), zs=[1], m=1, flasher=flasher)
assert_close(stream.T, check_base.T)
assert stream !=check_base
check = EquilibriumStream(P=P, rho=stream.rho(), zs=[1], m=1, flasher=flasher)
assert_close(stream.T, check.T)
assert stream !=check
check = EquilibriumStream(P=P, rho_mass=stream.rho_mass(), zs=[1], m=1, flasher=flasher)
assert_close(stream.T, check.T)
assert stream !=check
check = EquilibriumStream(P=P, H_mass=stream.H_mass(), zs=[1], m=1, flasher=flasher)
assert_close(stream.T, check.T)
assert stream !=check
check = EquilibriumStream(P=P, S_mass=stream.S_mass(), zs=[1], m=1, flasher=flasher)
assert_close(stream.T, check.T)
assert stream !=check
check = EquilibriumStream(P=P, U_mass=stream.U_mass(), zs=[1], m=1, flasher=flasher)
assert_close(stream.T, check.T)
assert stream !=check
# Hit up the vapor fractions
stream = EquilibriumStream(VF=.5, P=P, zs=[1], m=1, flasher=flasher)
assert stream !=check
check = EquilibriumStream(VF=stream.VF, A_mass=stream.A_mass(), zs=[1], m=1, flasher=flasher)
assert stream !=check
assert_close(stream.T, check.T)
check = EquilibriumStream(VF=stream.VF, G_mass=stream.G_mass(), zs=[1], m=1, flasher=flasher)
assert stream !=check
assert_close(stream.T, check.T)
def test_EquilibriumStream_different_input_sources():
constants = ChemicalConstantsPackage(atomss=[{'H': 2, 'O': 1}, {'C': 1, 'H': 4}, {'C': 10, 'H': 22}], CASs=['7732-18-5', '74-82-8', '124-18-5'], Gfgs=[-228554.325, -50443.48000000001, 33414.534999999916], Hfgs=[-241822.0, -74534.0, -249500.0], MWs=[18.01528, 16.04246, 142.28168], names=['water', 'methane', 'decane'], omegas=[0.344, 0.008, 0.49], Pcs=[22048320.0, 4599000.0, 2110000.0], Sfgs=[-44.499999999999964, -80.79999999999997, -948.8999999999997], Tbs=[373.124, 111.65, 447.25], Tcs=[647.14, 190.564, 611.7], Vml_STPs=[1.8087205105724903e-05, 5.858784737690099e-05, 0.00019580845677748954], Vml_60Fs=[1.8036021352633123e-05, 5.858784737690099e-05, 0.00019404661845090487])
correlations = PropertyCorrelationsPackage(constants=constants, skip_missing=True,
HeatCapacityGases=[HeatCapacityGas(load_data=False, poly_fit=(50.0, 1000.0, [5.543665000518528e-22, -2.403756749600872e-18, 4.2166477594350336e-15, -3.7965208514613565e-12, 1.823547122838406e-09, -4.3747690853614695e-07, 5.437938301211039e-05, -0.003220061088723078, 33.32731489750759])),
HeatCapacityGas(load_data=False, poly_fit=(50.0, 1000.0, [6.7703235945157e-22, -2.496905487234175e-18, 3.141019468969792e-15, -8.82689677472949e-13, -1.3709202525543862e-09, 1.232839237674241e-06, -0.0002832018460361874, 0.022944239587055416, 32.67333514157593])),
HeatCapacityGas(load_data=False, poly_fit=(200.0, 1000.0, [-1.702672546011891e-21, 6.6751002084997075e-18, -7.624102919104147e-15, -4.071140876082743e-12, 1.863822577724324e-08, -1.9741705032236747e-05, 0.009781408958916831, -1.6762677829939379, 252.8975930305735])),
],
VolumeLiquids=[VolumeLiquid(load_data=False, poly_fit=(273.17, 637.096, [9.00307261049824e-24, -3.097008950027417e-20, 4.608271228765265e-17, -3.8726692841874345e-14, 2.0099220218891486e-11, -6.596204729785676e-09, 1.3368112879131157e-06, -0.00015298762503607717, 0.007589247005014652])),
VolumeLiquid(load_data=False, poly_fit=(90.8, 180.564, [7.730541828225242e-20, -7.911042356530585e-17, 3.51935763791471e-14, -8.885734012624568e-12, 1.3922694980104743e-09, -1.3860056394382538e-07, 8.560110533953199e-06, -0.00029978743425740123, 0.004589555868318768])),
VolumeLiquid(load_data=False, poly_fit=(243.51, 607.7, [1.0056823442253386e-22, -3.2166293088353376e-19, 4.442027873447809e-16, -3.4574825216883073e-13, 1.6583965814129937e-10, -5.018203505211133e-08, 9.353680499788552e-06, -0.0009817356348626736, 0.04459313654596568])),
],
)
gas = IdealGas(HeatCapacityGases=correlations.HeatCapacityGases, zs=[.3, .3, .4], Hfs=constants.Hfgs, Gfs=constants.Gfgs, T=298.15, P=101325.0)
flasher = FlashVLN(constants=constants, correlations=correlations, gas=gas, liquids=[])
state_flash = flasher.flash(T=300, P=1e5, zs=[.5, .3, .2])
base = EquilibriumStream(T=300.0, P=1e5, zs=[.5, .3, .2], n=10, flasher=flasher)
case_zs_m = EquilibriumStream(T=300.0, P=1e5, zs=[.5, .3, .2], m=base.m, flasher=flasher)
case_zs_Ql = EquilibriumStream(T=300.0, P=1e5, zs=[.5, .3, .2], Ql=base.Ql, flasher=flasher)
case_zs_Qg = EquilibriumStream(T=300.0, P=1e5, zs=[.5, .3, .2], Qg=base.Qg, flasher=flasher)
case_zs_Q = EquilibriumStream(T=300.0, P=1e5, zs=[.5, .3, .2], Q=base.Q, flasher=flasher)
case_ws_n = EquilibriumStream(T=300.0, P=1e5, ws=base.ws(), n=10, flasher=flasher)
case_ws_m = EquilibriumStream(T=300.0, P=1e5, ws=base.ws(), m=base.m, flasher=flasher)
case_ws_Ql = EquilibriumStream(T=300.0, P=1e5, ws=base.ws(), Ql=base.Ql, flasher=flasher)
case_ws_Qg = EquilibriumStream(T=300.0, P=1e5, ws=base.ws(), Qg=base.Qg, flasher=flasher)
case_ws_Q = EquilibriumStream(T=300.0, P=1e5, ws=base.ws(), Q=base.Q, flasher=flasher)
case_Vfgs_n = EquilibriumStream(T=300.0, P=1e5, Vfgs=base.Vfgs(), n=10, flasher=flasher)
case_Vfgs_m = EquilibriumStream(T=300.0, P=1e5, Vfgs=base.Vfgs(), m=base.m, flasher=flasher)
case_Vfgs_Ql = EquilibriumStream(T=300.0, P=1e5, Vfgs=base.Vfgs(), Ql=base.Ql, flasher=flasher)
case_Vfgs_Qg = EquilibriumStream(T=300.0, P=1e5, Vfgs=base.Vfgs(), Qg=base.Qg, flasher=flasher)
case_Vfgs_Q = EquilibriumStream(T=300.0, P=1e5, Vfgs=base.Vfgs(), Q=base.Q, flasher=flasher)
case_Vfls_n = EquilibriumStream(T=300.0, P=1e5, Vfls=base.Vfls(), n=10, flasher=flasher)
case_Vfls_m = EquilibriumStream(T=300.0, P=1e5, Vfls=base.Vfls(), m=base.m, flasher=flasher)
case_Vfls_Ql = EquilibriumStream(T=300.0, P=1e5, Vfls=base.Vfls(), Ql=base.Ql, flasher=flasher)
case_Vfls_Qg = EquilibriumStream(T=300.0, P=1e5, Vfls=base.Vfls(), Qg=base.Qg, flasher=flasher)
case_Vfls_Q = EquilibriumStream(T=300.0, P=1e5, Vfls=base.Vfls(), Q=base.Q, flasher=flasher)
case_ns = EquilibriumStream(T=300.0, P=1e5, ns=base.ns, flasher=flasher)
case_ms = EquilibriumStream(T=300.0, P=1e5, ms=base.ms, flasher=flasher)
case_Qls = EquilibriumStream(T=300.0, P=1e5, Qls=base.Qls, flasher=flasher)
case_Qgs = EquilibriumStream(T=300.0, P=1e5, Qgs=base.Qgs, flasher=flasher)
case_energy_ns = EquilibriumStream(energy=base.energy, P=1e5, ns=base.ns, flasher=flasher)
case_energy_ms = EquilibriumStream(energy=base.energy, P=1e5, ms=base.ms, flasher=flasher)
case_energy_Qls = EquilibriumStream(energy=base.energy, P=1e5, Qls=base.Qls, flasher=flasher)
case_energy_Qgs = EquilibriumStream(energy=base.energy, P=1e5, Qgs=base.Qgs, flasher=flasher)
base_existing = EquilibriumStream(T=300.0, P=1e5, zs=[.5, .3, .2], n=10, flasher=flasher, existing_flash=state_flash)
case_zs_m_existing = EquilibriumStream(T=300.0, P=1e5, zs=[.5, .3, .2], m=base.m, flasher=flasher, existing_flash=state_flash)
case_zs_Ql_existing = EquilibriumStream(T=300.0, P=1e5, zs=[.5, .3, .2], Ql=base.Ql, flasher=flasher, existing_flash=state_flash)
case_zs_Qg_existing = EquilibriumStream(T=300.0, P=1e5, zs=[.5, .3, .2], Qg=base.Qg, flasher=flasher, existing_flash=state_flash)
case_zs_Q_existing = EquilibriumStream(T=300.0, P=1e5, zs=[.5, .3, .2], Q=base.Q, flasher=flasher, existing_flash=state_flash)
case_ws_n_existing = EquilibriumStream(T=300.0, P=1e5, ws=base.ws(), n=10, flasher=flasher, existing_flash=state_flash)
case_ws_m_existing = EquilibriumStream(T=300.0, P=1e5, ws=base.ws(), m=base.m, flasher=flasher, existing_flash=state_flash)
case_ws_Ql_existing = EquilibriumStream(T=300.0, P=1e5, ws=base.ws(), Ql=base.Ql, flasher=flasher, existing_flash=state_flash)
case_ws_Qg_existing = EquilibriumStream(T=300.0, P=1e5, ws=base.ws(), Qg=base.Qg, flasher=flasher, existing_flash=state_flash)
case_ws_Q_existing = EquilibriumStream(T=300.0, P=1e5, ws=base.ws(), Q=base.Q, flasher=flasher, existing_flash=state_flash)
case_Vfgs_n_existing = EquilibriumStream(T=300.0, P=1e5, Vfgs=base.Vfgs(), n=10, flasher=flasher, existing_flash=state_flash)
case_Vfgs_m_existing = EquilibriumStream(T=300.0, P=1e5, Vfgs=base.Vfgs(), m=base.m, flasher=flasher, existing_flash=state_flash)
case_Vfgs_Ql_existing = EquilibriumStream(T=300.0, P=1e5, Vfgs=base.Vfgs(), Ql=base.Ql, flasher=flasher, existing_flash=state_flash)
case_Vfgs_Qg_existing = EquilibriumStream(T=300.0, P=1e5, Vfgs=base.Vfgs(), Qg=base.Qg, flasher=flasher, existing_flash=state_flash)
case_Vfgs_Q_existing = EquilibriumStream(T=300.0, P=1e5, Vfgs=base.Vfgs(), Q=base.Q, flasher=flasher, existing_flash=state_flash)
case_Vfls_n_existing = EquilibriumStream(T=300.0, P=1e5, Vfls=base.Vfls(), n=10, flasher=flasher, existing_flash=state_flash)
case_Vfls_m_existing = EquilibriumStream(T=300.0, P=1e5, Vfls=base.Vfls(), m=base.m, flasher=flasher, existing_flash=state_flash)
case_Vfls_Ql_existing = EquilibriumStream(T=300.0, P=1e5, Vfls=base.Vfls(), Ql=base.Ql, flasher=flasher, existing_flash=state_flash)
case_Vfls_Qg_existing = EquilibriumStream(T=300.0, P=1e5, Vfls=base.Vfls(), Qg=base.Qg, flasher=flasher, existing_flash=state_flash)
case_Vfls_Q_existing = EquilibriumStream(T=300.0, P=1e5, Vfls=base.Vfls(), Q=base.Q, flasher=flasher, existing_flash=state_flash)
case_ns_existing = EquilibriumStream(T=300.0, P=1e5, ns=base.ns, flasher=flasher, existing_flash=state_flash)
case_ms_existing = EquilibriumStream(T=300.0, P=1e5, ms=base.ms, flasher=flasher, existing_flash=state_flash)
case_Qls_existing = EquilibriumStream(T=300.0, P=1e5, Qls=base.Qls, flasher=flasher, existing_flash=state_flash)
case_Qgs_existing = EquilibriumStream(T=300.0, P=1e5, Qgs=base.Qgs, flasher=flasher, existing_flash=state_flash)
case_energy_ns_existing = EquilibriumStream(energy=base.energy, P=1e5, ns=base.ns, flasher=flasher, existing_flash=state_flash)
case_energy_ms_existing = EquilibriumStream(energy=base.energy, P=1e5, ms=base.ms, flasher=flasher, existing_flash=state_flash)
case_energy_Qls_existing = EquilibriumStream(energy=base.energy, P=1e5, Qls=base.Qls, flasher=flasher, existing_flash=state_flash)
case_energy_Qgs_existing = EquilibriumStream(energy=base.energy, P=1e5, Qgs=base.Qgs, flasher=flasher, existing_flash=state_flash)
all_cases = [base, case_zs_m, case_zs_Ql, case_zs_Qg, case_zs_Q,
case_ws_n, case_ws_m, case_ws_Ql, case_ws_Qg, case_ws_Q,
case_Vfgs_n, case_Vfgs_m, case_Vfgs_Ql, case_Vfgs_Qg, case_Vfgs_Q,
case_Vfls_n, case_Vfls_m, case_Vfls_Ql, case_Vfls_Qg, case_Vfls_Q,
case_ns, case_ms, case_Qls, case_Qgs,
case_energy_ns, case_energy_ms, case_energy_Qls, case_energy_Qgs,
base_existing, case_zs_m_existing, case_zs_Ql_existing, case_zs_Qg_existing, case_zs_Q_existing,
case_ws_n_existing, case_ws_m_existing, case_ws_Ql_existing, case_ws_Qg_existing, case_ws_Q_existing,
case_Vfgs_n_existing, case_Vfgs_m_existing, case_Vfgs_Ql_existing, case_Vfgs_Qg_existing, case_Vfgs_Q_existing,
case_Vfls_n_existing, case_Vfls_m_existing, case_Vfls_Ql_existing, case_Vfls_Qg_existing, case_Vfls_Q_existing,
case_ns_existing, case_ms_existing, case_Qls_existing, case_Qgs_existing,
case_energy_ns_existing, case_energy_ms_existing, case_energy_Qls_existing, case_energy_Qgs_existing
]
for i, case in enumerate(all_cases):
assert_close1d(case.ns, [5.0, 3.0, 2.0], rtol=1e-13)
assert_close1d(case.ms, [0.0900764, 0.04812738, 0.28456336], rtol=1e-13)
assert_close1d(case.Qls, [9.043602552862452e-05, 0.00017576354213070296, 0.0003916169135549791], rtol=1e-13)
assert_close1d(case.Qgs, [0.11822415018114264, 0.07093449010868558, 0.04728966007245706], rtol=1e-13)
assert_close(case.n, sum(case.ns), rtol=1e-13)
assert_close(case.m, sum(case.ms), rtol=1e-13)
assert_close(case.Ql, sum(case.Qls), rtol=1e-13)
assert_close(case.Qg, sum(case.Qgs), rtol=1e-13)
assert_close(case.T, 300.0, rtol=1e-13)
assert_close(case.P, 1e5, rtol=1e-13)
assert_close(case.VF, 1, rtol=1e-8)
assert_close(case.V(), 0.02494338785445972, rtol=1e-8)
assert_close(case.rho(), 40.090785014242016, rtol=1e-8)
assert_close(case.rho_mass(), 1.6949066520825955, rtol=1e-8)
assert_close(case.H(), 137.38678195289813, rtol=1e-8)
assert_close(case.S(), 9.129827636854362, rtol=1e-8)
assert_close(case.G(), -2601.56150910341, rtol=1e-8)
assert_close(case.U(), -2356.952003493074 , rtol=1e-8)
assert_close(case.A(), -5095.900294549382, rtol=1e-8)
assert_close(case.H_mass(), property_molar_to_mass(case.H(), case.MW()), rtol=1e-13)
assert_close(case.S_mass(), property_molar_to_mass(case.S(), case.MW()), rtol=1e-13)
assert_close(case.G_mass(), property_molar_to_mass(case.G(), case.MW()), rtol=1e-13)
assert_close(case.U_mass(), property_molar_to_mass(case.U(), case.MW()), rtol=1e-13)
assert_close(case.A_mass(), property_molar_to_mass(case.A(), case.MW()), rtol=1e-13)
assert_close(case.H_reactive(), -193033.81321804711, rtol=1e-8)
assert_close(case.energy, case.H()*case.n, rtol=1e-13)
assert_close(case.energy_reactive, case.H_reactive()*case.n, rtol=1e-13)
assert_close1d(case.zs, [.5, .3, .2], rtol=1e-13)
assert_close1d(case.ws(), [0.21306386300505759, 0.11383898001154961, 0.6730971569833928], rtol=1e-13)
assert_close1d(case.Vfls(), [0.13747911174509148, 0.26719236618433384, 0.5953285220705747], rtol=1e-13)
assert_close1d(case.Vfgs(), [0.5, 0.3, 0.2], rtol=1e-13)
assert_close1d(case.ns, case.bulk.ns, rtol=1e-13)
assert_close1d(case.ms, case.bulk.ms, rtol=1e-13)
assert_close1d(case.Qls, case.bulk.Qls, rtol=1e-13)
assert_close1d(case.Qgs, case.bulk.Qgs, rtol=1e-13)
assert_close(case.n, case.bulk.n, rtol=1e-13)
assert_close(case.m, case.bulk.m, rtol=1e-13)
assert_close(case.Ql, case.bulk.Ql, rtol=1e-13)
assert_close(case.Qg, case.bulk.Qg, rtol=1e-13)
assert_close1d(case.ns_calc, case.bulk.ns_calc, rtol=1e-13)
assert_close1d(case.ms_calc, case.bulk.ms_calc, rtol=1e-13)
assert_close1d(case.Qls_calc, case.bulk.Qls_calc, rtol=1e-13)
assert_close1d(case.Qgs_calc, case.bulk.Qgs_calc, rtol=1e-13)
assert_close(case.n_calc, case.bulk.n_calc, rtol=1e-13)
assert_close(case.m_calc, case.bulk.m_calc, rtol=1e-13)
assert_close(case.Ql_calc, case.bulk.Ql_calc, rtol=1e-13)
assert_close(case.Qg_calc, case.bulk.Qg_calc, rtol=1e-13)
assert_close(case.T, case.bulk.T, rtol=1e-13)
assert_close(case.P, case.bulk.P, rtol=1e-13)
assert_close(case.VF, case.bulk.VF, rtol=1e-13)
assert_close(case.energy, case.bulk.energy, rtol=1e-13)
assert_close(case.energy_reactive, case.bulk.energy_reactive, rtol=1e-13)
assert_close(case.V(), case.bulk.V(), rtol=1e-8)