def _load_reaction_data():
global Hfg_API_TDB_data, Hfg_ATcT_data, Hfl_ATcT_data, Hfg_S0g_YAWS_data
global Hfg_sources, Hfl_sources, Hfs_sources
global S0g_sources, S0l_sources, S0s_sources
global _reaction_data_loaded
Hfg_API_TDB_data = data_source('API TDB Albahri Hf (g).tsv')
Hfg_ATcT_data = data_source('ATcT 1.112 (g).tsv')
Hfl_ATcT_data = data_source('ATcT 1.112 (l).tsv')
Hfg_S0g_YAWS_data = data_source('Yaws Hf S0 (g).tsv')
_reaction_data_loaded = True
S0g_sources = {
CRC: heat_capacity.CRC_standard_data,
YAWS: Hfg_S0g_YAWS_data,
}
S0l_sources = {
CRC: heat_capacity.CRC_standard_data,
}
S0s_sources = {
CRC: heat_capacity.CRC_standard_data,
}
Hfg_sources = {
ATCT_G: Hfg_ATcT_data,
CRC: heat_capacity.CRC_standard_data,
API_TDB_G: Hfg_API_TDB_data,
TRC: heat_capacity.TRC_gas_data,
YAWS: Hfg_S0g_YAWS_data,
}
Hfl_sources = {
ATCT_L: Hfl_ATcT_data,
CRC: heat_capacity.CRC_standard_data,
}
Hfs_sources = {
CRC: heat_capacity.CRC_standard_data,
}
def load_interface_dfs():
global _interface_dfs_loaded, sigma_data_Mulero_Cachadina, sigma_values_Mulero_Cachadina
global sigma_data_Jasper_Lange, sigma_values_Jasper_Lange
global sigma_data_Somayajulu, sigma_values_Somayajulu, sigma_data_Somayajulu2
global sigma_values_Somayajulu2, sigma_data_VDI_PPDS_11, sigma_values_VDI_PPDS_11
sigma_data_Mulero_Cachadina = data_source('MuleroCachadinaParameters.tsv')
sigma_values_Mulero_Cachadina = np.array(
sigma_data_Mulero_Cachadina.values[:, 1:], dtype=float)
sigma_data_Jasper_Lange = data_source('Jasper-Lange.tsv')
sigma_values_Jasper_Lange = np.array(sigma_data_Jasper_Lange.values[:, 1:],
dtype=float)
sigma_data_Somayajulu = data_source('Somayajulu.tsv')
sigma_values_Somayajulu = np.array(sigma_data_Somayajulu.values[:, 1:],
dtype=float)
sigma_data_Somayajulu2 = data_source('SomayajuluRevised.tsv')
sigma_values_Somayajulu2 = np.array(sigma_data_Somayajulu2.values[:, 1:],
dtype=float)
sigma_data_VDI_PPDS_11 = data_source('VDI PPDS surface tensions.tsv')
sigma_values_VDI_PPDS_11 = np.array(sigma_data_VDI_PPDS_11.values[:, 1:],
dtype=float)
def _load_CRC_data():
global CRC_inorganic_data, CRC_organic_data, _CRC_data_loaded
CRC_inorganic_data = data_source(
'Physical Constants of Inorganic Compounds.csv')
CRC_organic_data = data_source(
'Physical Constants of Organic Compounds.csv')
_CRC_data_loaded = True
def _load_logP_data():
global _logP_data_loaded, logP_data_CRC, logP_data_Syrres, logP_sources
logP_data_CRC = data_source('CRC logP table.tsv')
logP_data_Syrres = data_source('Syrres logP data.csv.gz')
_logP_data_loaded = True
logP_sources = {
'CRC': logP_data_CRC,
'SYRRES': logP_data_Syrres,
}
def _load_dipole_data():
global dipole_data_CCDB, dipole_data_Muller, dipole_data_Poling, dipole_sources
dipole_data_CCDB = data_source('cccbdb.nist.gov Dipoles.csv')
dipole_data_Muller = data_source('Muller Supporting Info Dipoles.csv')
dipole_data_Poling = data_source('Poling Dipole.csv')
dipole_sources = {
CCCBDB: dipole_data_CCDB,
MULLER: dipole_data_Muller,
POLING: dipole_data_Poling,
}
def _load_rho_data():
global _rho_data_loaded, rho_data_COSTALD, rho_data_SNM0
global rho_data_Perry_8E_105_l, rho_values_Perry_8E_105_l
global rho_data_VDI_PPDS_2, rho_values_VDI_PPDS_2
global rho_data_CRC_inorg_l, rho_values_CRC_inorg_l
global rho_data_CRC_inorg_l_const, rho_data_CRC_inorg_s_const
global rho_data_CRC_virial, rho_values_CRC_virial
rho_data_COSTALD = data_source('COSTALD Parameters.tsv')
rho_data_SNM0 = data_source('Mchaweh SN0 deltas.tsv')
rho_data_Perry_8E_105_l = data_source('Perry Parameters 105.tsv')
rho_values_Perry_8E_105_l = np.array(rho_data_Perry_8E_105_l.values[:, 1:],
dtype=float)
rho_data_VDI_PPDS_2 = data_source(
'VDI PPDS Density of Saturated Liquids.tsv')
rho_values_VDI_PPDS_2 = np.array(rho_data_VDI_PPDS_2.values[:, 1:],
dtype=float)
rho_data_CRC_inorg_l = data_source(
'CRC Inorganics densties of molten compounds and salts.tsv')
rho_values_CRC_inorg_l = np.array(rho_data_CRC_inorg_l.values[:, 1:],
dtype=float)
rho_data_CRC_inorg_l_const = data_source(
'CRC Liquid Inorganic Constant Densities.tsv')
rho_data_CRC_inorg_s_const = data_source(
'CRC Solid Inorganic Constant Densities.tsv')
rho_data_CRC_virial = data_source('CRC Virial polynomials.tsv')
rho_values_CRC_virial = np.array(rho_data_CRC_virial.values[:, 1:],
dtype=float)
def _load_phase_change_correlations():
global phase_change_data_Perrys2_150, phase_change_values_Perrys2_150
global phase_change_data_VDI_PPDS_4, phase_change_values_VDI_PPDS_4
global phase_change_data_Alibakhshi_Cs, _phase_change_corrs_loaded
# 66554 for pandas; 19264 bytes for numpy
phase_change_data_Perrys2_150 = data_source('Table 2-150 Heats of Vaporization of Inorganic and Organic Liquids.tsv')
phase_change_values_Perrys2_150 = np.array(phase_change_data_Perrys2_150.values[:, 1:], dtype=float)
# 52187 bytes for pandas, 13056 bytes for numpy
phase_change_data_VDI_PPDS_4 = data_source('VDI PPDS Enthalpies of vaporization.tsv')
phase_change_values_VDI_PPDS_4 = np.array(phase_change_data_VDI_PPDS_4.values[:, 2:], dtype=float)
phase_change_data_Alibakhshi_Cs = data_source('Alibakhshi one-coefficient enthalpy of vaporization.tsv')
_phase_change_corrs_loaded = True
def _load_LJ_data():
global _LJ_data_loaded, LJ_data_Magalhaes, LJ_sources
LJ_data_Magalhaes = data_source('MagalhaesLJ.tsv')
_LJ_data_loaded = True
LJ_sources = {
MAGALHAES: LJ_data_Magalhaes,
}
def _load_triple_data():
global triple_data_Staveley, _triple_data_loaded, Tt_sources, Pt_sources
triple_data_Staveley = data_source('Staveley 1981.tsv')
_triple_data_loaded = True
Tt_sources = {
STAVELEY: triple_data_Staveley,
}
Pt_sources = Tt_sources.copy()
def load_vapor_pressure_dfs():
global Psat_data_WagnerMcGarry, Psat_values_WagnerMcGarry, Psat_data_AntoinePoling, Psat_values_AntoinePoling
global Psat_data_WagnerPoling, Psat_values_WagnerPoling, Psat_data_AntoineExtended, Psat_values_AntoineExtended
global Psat_data_Perrys2_8, Psat_values_Perrys2_8, Psat_data_VDI_PPDS_3, Psat_values_VDI_PPDS_3
global _vapor_pressure_dfs_loaded
# 57463 bytes for df; 13720 bytes for numpy
Psat_data_WagnerMcGarry = data_source('Wagner Original McGarry.tsv')
Psat_values_WagnerMcGarry = np.array(Psat_data_WagnerMcGarry.values[:, 1:], dtype=float)
# 58216 bytes for df; 13000 bytes for numpy
Psat_data_AntoinePoling = data_source('Antoine Collection Poling.tsv')
Psat_values_AntoinePoling = np.array(Psat_data_AntoinePoling.values[:, 1:], dtype=float)
# 20928 bytes for df; 7488 bytes for numpy
Psat_data_WagnerPoling = data_source('Wagner Collection Poling.tsv')
Psat_values_WagnerPoling = np.array(Psat_data_WagnerPoling.values[:, 1:], dtype=float)
# 21388 bytes for df; 7760 bytes for numpy
Psat_data_AntoineExtended = data_source('Antoine Extended Collection Poling.tsv')
Psat_values_AntoineExtended = np.array(Psat_data_AntoineExtended.values[:, 1:], dtype=float)
# 65740 bytes for df; 21760 bytes for numpy
Psat_data_Perrys2_8 = data_source('Table 2-8 Vapor Pressure of Inorganic and Organic Liquids.tsv')
Psat_values_Perrys2_8 = np.array(Psat_data_Perrys2_8.values[:, 1:], dtype=float)
# 52742 bytes for df; 15400 bytes for numpy
Psat_data_VDI_PPDS_3 = data_source('VDI PPDS Boiling temperatures at different pressures.tsv')
Psat_values_VDI_PPDS_3 = np.array(Psat_data_VDI_PPDS_3.values[:, 1:], dtype=float)
_vapor_pressure_dfs_loaded = True
def _load_phase_change_constants():
global Tb_data_Yaws, Tm_ON_data, Hvap_data_Gharagheizi, Hvap_data_CRC
global Hfus_data_CRC, Hsub_data_Gharagheizi, _phase_change_const_loaded
global Tb_sources, Tm_sources, Hfus_sources
Tb_data_Yaws = data_source('Yaws Boiling Points.tsv')
Tm_ON_data = data_source('OpenNotebook Melting Points.tsv')
Hvap_data_Gharagheizi = data_source(
'Ghazerati Appendix Vaporization Enthalpy.tsv')
Hvap_data_CRC = data_source('CRC Handbook Heat of Vaporization.tsv')
Hfus_data_CRC = data_source('CRC Handbook Heat of Fusion.tsv')
Hsub_data_Gharagheizi = data_source(
'Ghazerati Appendix Sublimation Enthalpy.tsv')
_phase_change_const_loaded = True
Tb_sources = {
CRC_ORG: miscdata.CRC_organic_data,
CRC_INORG: miscdata.CRC_inorganic_data,
YAWS: Tb_data_Yaws,
}
Tm_sources = {
OPEN_NTBKM: Tm_ON_data,
CRC_INORG: miscdata.CRC_inorganic_data,
CRC_ORG: miscdata.CRC_organic_data,
}
Hfus_sources = {
CRC: Hfus_data_CRC,
}
def _load_GWP_ODP_data():
global _GWP_ODP_data_loaded, GWP_data, ODP_data
global _GWP_keys_by_method, _ODP_keys_by_method
GWP_data = data_source('Official Global Warming Potentials.tsv')
ODP_data = data_source('Ozone Depletion Potentials.tsv')
_GWP_ODP_data_loaded = True
_GWP_keys_by_method = {
'IPCC (2007) 100yr': '100yr GWP',
'IPCC (2007) 100yr-SAR': 'SAR 100yr',
'IPCC (2007) 20yr': '20yr GWP',
'IPCC (2007) 500yr': '500yr GWP',
}
_ODP_keys_by_method = {
'ODP2 Max': 'ODP2 Max',
'ODP1 Max': 'ODP1 Max',
'ODP2 logarithmic average': 'ODP2 Design',
'ODP1 logarithmic average': 'ODP1 Design',
'ODP2 Min': 'ODP2 Min',
'ODP1 Min': 'ODP1 Min',
'ODP2 string': 'ODP2',
'ODP1 string': 'ODP1',
}
def _load_safety_data():
global Ontario_exposure_limits_dict, NFPA_2008_data, IEC_2010_data
global DIPPR_SERAT_data, NTP_data, IARC_data, Tflash_sources
global Tautoignition_sources, LFL_sources, UFL_sources, _safety_data_loaded
import json
from io import open
file = os.path.join(folder, 'Ontario Exposure Limits.json')
with open(file, 'r') as stream:
Ontario_exposure_limits_dict = json.load(stream)
NFPA_2008_data = data_source('NFPA 497 2008.tsv')
IEC_2010_data = data_source('IS IEC 60079-20-1 2010.tsv')
DIPPR_SERAT_data = data_source('DIPPR T_flash Serat.csv')
NTP_data = data_source('National Toxicology Program Carcinogens.tsv')
IARC_data = data_source('IARC Carcinogen Database.tsv')
Tflash_sources = {
IEC: IEC_2010_data,
NFPA: NFPA_2008_data,
SERAT: DIPPR_SERAT_data
}
Tautoignition_sources = {IEC: IEC_2010_data, NFPA: NFPA_2008_data}
LFL_sources = Tautoignition_sources.copy()
UFL_sources = Tautoignition_sources.copy()
_safety_data_loaded = True
def _load_permittivity_data():
global _permittivity_data_loaded, permittivity_values_CRC, permittivity_data_CRC
permittivity_data_CRC = data_source(
'Permittivity (Dielectric Constant) of Liquids.tsv')
permittivity_values_CRC = np.array(permittivity_data_CRC.values[:, 1:],
dtype=float)
def _load_RI_data():
global _RI_data_loaded, RI_data_CRC_organic, RI_sources
RI_data_CRC_organic = data_source('CRC Handbook Organic RI.csv')
RI_sources = {
CRC: RI_data_CRC_organic,
}
