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, }