def setUpClass(cls):
# Create a working directory for output files. If this is
# an in-source test, create the directory in the root
# test/work directory. Otherwise, create a system level
# temporary directory
root_dir = os.path.abspath(
os.path.join(os.path.dirname(__file__), '..', '..', '..', '..'))
if os.path.exists(os.path.join(root_dir, 'SConstruct')):
cls.test_work_dir = os.path.join(root_dir, 'test', 'work',
'python')
try:
os.makedirs(cls.test_work_dir)
except OSError as e:
if e.errno == errno.EEXIST:
pass
elif e.errno == errno.EACCES:
cls.test_work_dir = tempfile.mkdtemp()
else:
raise
else:
cls.test_work_dir = tempfile.mkdtemp()
cantera.add_directory(cls.test_work_dir)
cls.test_data_dir = os.path.abspath(
os.path.join(os.path.dirname(__file__), 'data'))
cls.cantera_data = os.path.abspath(
os.path.join(os.path.dirname(__file__), '..', 'data'))
def set_env():
import os
import cantera
absdir = os.path.abspath(os.path.dirname(os.path.realpath(__file__)))
absdir = os.path.join(absdir, 'data')
os.environ['CANTERA_DATA'] = f'{absdir}:$CANTERA_DATA'
cantera.add_directory(absdir)
cantera.suppress_thermo_warnings()
def __init__(self,
mechs,
connects,
residenceTime=lambda t: 0.1,
entrainment=lambda t: 0.1,
fpath=None,
setCanteraPath=None,
build=False):
"""
PyPlume PlumeModel constructor.
Parameters:
mechs - an array like structure with at least 3 mechanisms, [fuelMech,atmMech,eMech1,eMech2,...,eMechN]
residenceTime - a function that specifies the residence time as a function of time---for combustor and system mass flow rates.
entrainment - a function that specifies entrainment mass as a function of time.
connects - an 2d adjacency matrix with integer values corresponding to the appropriate mass flow function+1 in the list of mass flow functions.
So, the first mass flow function, 0 index, will be represented as 1 in the matrix. This is because these values will be used for conditionals
as well. A template matrix can be generated. The matrix should specifically
fpath - file path where the output will be written (hdf5 format).
setCanteraPath - path variable to cantera mech files
build - boolean that builds network strictly from configuration in mechanism files (T,P) if true.
default: build=false
"""
super(PlumeModel, self).__init__()
#Saving contents into self of inputs
self.mechs = mechs #mechanisms used in gas creation
self.connects = connects #Adjacency matrix of connections
self.residenceTime = residenceTime #RTF a function that controlls mass flow
self.entrainment = entrainment #a function that specifies mass entrainment
self.build = build #This is a bool that says to build on construction
self.nex = connects.shape[
0] - 1 #This is the number of exhaust reactors
self.fpath = fpath
self.ptype = True #True for sparse printing
# Add cantera or mechanisms path
if setCanteraPath is not None:
ct.add_directory(setCanteraPath)
else:
self.mechPath = os.path.dirname(os.path.abspath(__file__))
self.mechPath = os.path.join(self.mechPath, "mechanisms")
sys.path.append(self.mechPath)
#Creation of gas objects for reactors
self.createGases()
#Optionally building network from initialization
if self.build:
self.buildNetwork()
def setUpClass(cls):
# Create a working directory for output files. If this is
# an in-source test, create the directory in the root
# test/work directory. Otherwise, create a system level
# temporary directory
root_dir = Path(__file__).parents[4].resolve()
if (root_dir / "SConstruct").is_file():
cls.test_work_path = root_dir / "test" / "work" / "python"
cls.using_tempfile = False
try:
cls.test_work_path.mkdir(exist_ok=True)
except FileNotFoundError:
cls.test_work_path = Path(tempfile.mkdtemp())
cls.using_tempfile = True
else:
cls.test_work_path = Path(tempfile.mkdtemp())
cls.using_tempfile = True
cantera.make_deprecation_warnings_fatal()
cantera.add_directory(cls.test_work_path)
cls.test_data_path = TEST_DATA_PATH
cls.cantera_data_path = CANTERA_DATA_PATH
def setUpClass(cls):
# Create a working directory for output files. If this is
# an in-source test, create the directory in the root
# test/work directory. Otherwise, create a system level
# temporary directory
root_dir = os.path.abspath(os.path.join(os.path.dirname(__file__),
'..', '..', '..', '..'))
if os.path.exists(os.path.join(root_dir, 'SConstruct')):
cls.test_work_dir = os.path.join(root_dir, 'test', 'work', 'python')
try:
os.makedirs(cls.test_work_dir)
except OSError as e:
if e.errno == errno.EEXIST:
pass
elif e.errno == errno.EACCES:
cls.test_work_dir = tempfile.mkdtemp()
else:
raise
else:
cls.test_work_dir = tempfile.mkdtemp()
cantera.add_directory(cls.test_work_dir)
cls.test_data_dir = os.path.abspath(os.path.join(os.path.dirname(__file__), 'data'))
from pathlib import Path
import cantera
from .test_composite import *
from .test_convert import *
from .test_equilibrium import *
from .test_func1 import *
from .test_kinetics import *
from .test_mixture import *
from .test_onedim import *
from .test_purefluid import *
from .test_reaction import *
from .test_reactor import *
from .test_thermo import *
from .test_transport import *
from .test_utils import *
cantera.add_directory(Path(__file__) / "data")
cantera.add_directory(
Path(__file__).parents[1] / "examples" / "surface_chemistry")
import os import cantera from .test_thermo import * from .test_purefluid import * from .test_equilibrium import * from .test_kinetics import * from .test_transport import * from .test_mixture import * from .test_func1 import * from .test_reactor import * from .test_onedim import * from .test_convert import * cantera.add_directory(os.path.join(os.path.dirname(__file__), 'data')) cantera.add_directory(os.path.join(os.path.dirname(__file__), '..', 'examples', 'surface_chemistry'))
import cantera as ct
import os
DATA_DIR = os.path.abspath('../data')
MECH_DIR = os.path.join(DATA_DIR, 'mechanisms')
ct.add_directory(MECH_DIR) # for custom mechanisms
#name = 'my_mechanism.cti'
name = 'As_thermo_data.cti'
# composition
# Jupiter AsH3 0.55 times enrichment
# composition = 'H2:1.0,He:0.157,CH4:2.37e-3,H2O:7.518e-3,NH3:6.64e-4,AsH3:2.2e-10'
# Saturn AsH3 7.5 times enrichment
composition = 'H2:1.0,He:0.135,CH4:5.33e-3,H2O:9.8e-3,NH3:4.54e-4,AsH3:3.0e-9'
# list of species that you want to plot
species_names = ['As', 'As2', 'As3', 'As4', 'AsH', 'AsH2', 'AsH3']
# output
output_file_name = 'As_eq_Sat.dat'
################################################################################
# no need to change the scripts below
# initialization the phase
ct.add_directory(mechanism_directory)
gas1 = ct.Solution(name)
gas1.X = composition
nspecies = gas1.n_species
N = len(P)
x = np.zeros((nspecies, N))
# equilibrium states
for i in range(N):
gas1.TP = T[i], P[i]
gas1.equilibrate('TP')
x[:, i] = gas1.X
# if plot argument exists, make a plot
if '--plot' in sys.argv[1:]:
import matplotlib.pyplot as plt
#species_names = ['CO','H2O','CH4','NH3','N2']
def setup_cantera(self):
"""Wrapper function to setup all cantera objects"""
ct.add_directory(self.datadir)
self.setup_gas()
import os.path as _path import cantera from ._ember import * from . import _ember from .input import * from .output import * from . import utils __version__ = '1.4.0' # Add Ember's data file directory to Cantera's search path. Because the Python # module is statically linked to Cantera, this needs to be done separately for # each of the two copies of the Cantera library that have been loaded. _datapath = _path.join(_path.dirname(_path.abspath(__file__)), 'data') _ember.addCanteraDirectory(_datapath) cantera.add_directory(_datapath)
import cantera as ct
from .gases import *
from .reactors import *
from .configurations import *
# this makes cantera available directly through pt namespace
# (dubious...)
from cantera import *
#################################
# Add the mechanisms directory to Cantera's search path
# so we don't have to copy XML files everywhere
import pkg_resources
ct.add_directory( pkg_resources.resource_filename('pantera','mechanisms') )
#################################
# Monkey patch Cantera
from cantera_monkey_patches import *
import os.path as _path import cantera from _ember import * import _ember from input import * from output import * import utils __version__ = '1.4.0a1' # Add Ember's data file directory to Cantera's search path. Because the Python # module is statically linked to Cantera, this needs to be done separately for # each of the two copies of the Cantera library that have been loaded. _datapath = _path.join(_path.dirname(_path.abspath(__file__)), 'data') _ember.addCanteraDirectory(_datapath) cantera.add_directory(_datapath)
import os import cantera cantera.add_directory(os.path.join(os.path.dirname(__file__), 'data')) from .test_thermo import * from .test_purefluid import * from .test_equilibrium import * from .test_kinetics import * from .test_transport import * from .test_mixture import * from .test_func1 import * from .test_reactor import * from .test_onedim import * from .test_convert import *
"""
Constant-pressure, adiabatic kinetics simulation.
Requires: cantera >= 2.5.0, matplotlib >= 2.0
"""
import sys
import cantera as ct
from Particle import *
ct.add_directory('./data')
gas = ct.Solution('caltech.yaml')
gas.TPX = 1700.0, 12 * ct.one_atm, 'CH4:1,N2:1'
r = ct.IdealGasConstPressureReactor(gas, energy='off')
sim = ct.ReactorNet([r])
sim.verbose = True
# Particle arrays initilization
PND = [] # Particle Number Density
PND.append(0.0)
FV = [] # Particle Volume Fraction
FV.append(0.0)
X_A4R5C = [
] # Mole fraction of A4R5 after consumption with the particle module
X_A4R5C.append(0.0)
# limit advance when temperature difference is exceeded
delta_T_max = 20.
r.set_advance_limit('temperature', delta_T_max)
import sys
import numpy as np
import cantera as ct
from mesh_saturn import *
from matplotlib.pyplot import *
# create mesh for Saturn
N = 70
[z, dz, T, log_PG, mu_average, rho] = mesh(N)
PG = 10**log_PG
# initialization the phase
ct.add_directory('/Users/wangdong/Documents/2014_summer/cantera_input_files')
gas1 = ct.Solution('P_Reaction_set.cti')
nspecies = gas1.n_species
# O/H2 protosolar: 1.074e-3, 10 times protosolar
#gas1.X = 'H2:1.0,He:0.135,H2O:1.074e-2,PH3:7.28e-6'
# O/H2 protosolar: 1.074e-3 20 times protosolar
gas1.X = 'H2:1.0,He:0.135,H2O:2.148e-2,PH3:7.28e-6'
y_eq = np.zeros((nspecies, N))
# set up the initial state using equilibrium states
for i in range(N):
gas1.TP = T[i], PG[i] * 1.e5
gas1.equilibrate('TP')
y_eq[:, i] = gas1.Y
dataoutputfolder = os.path.join(finalanalysisfolder, 'Data')
metadatafolder = os.path.join(dataoutputfolder, 'data_generation_metadata')
dsst = load.loadprocesseddata(os.path.join(dataoutputfolder, 'dsst'))
with open(os.path.join(dataoutputfolder, 'da_ct.pickle'), 'rb') as file:
da_ct = pickle.load(file)
#mhdcantera repository cantera utilities (originally from table gen)
import sys
mhdcantera_repo_path = r'C:\Users\aspit\Git\MHDLab\mhdcantera'
sys.path.append(mhdcantera_repo_path)
from cantera_utils import util as ct_utils
ct_path = os.path.join(mhdcantera_repo_path, 'cantera_utils', 'data')
ct.add_directory(ct_path)
g, electron_trans = ct_utils.gen_gas(GasThermo_tr='data/drm19_SeededKero.cti',
GasThermoName_tr='gas',
CrossSectionFile='data/NETL_CF2017.csv',
basis='mass')
W = g.molecular_weights
MW = {name: W[i] for i, name in enumerate(g.species_names)}
MW["K2CO3"] = 2 * MW["K"] + MW["CO2"] + 0.5 * MW["O2"]
def gen_Y_str(Y_K, debug=False):
#f are mass fractions in the emulsion
recepie_em = {
