'collision_integral_Neufeld_Janzen_Aziz', 'As_collision', 'Bs_collision', 'Cs_collision', 'collision_integral_Kim_Monroe', 'T_star' ] import os from fluids.constants import k from chemicals.utils import exp, log, sin from chemicals.utils import PY37, source_path, os_path_join, can_load_data from chemicals.data_reader import (register_df_source, data_source, retrieve_from_df_dict, retrieve_any_from_df_dict, list_available_methods_from_df_dict) # Register data sources and lazy load them folder = os_path_join(source_path, 'Viscosity') register_df_source(folder, 'MagalhaesLJ.tsv') FLYNN = 'Flynn (1960)' STIELTHODOS = 'Stiel and Thodos Tc, Zc (1962)' MAGALHAES = 'Magalhães, Lito, Da Silva, and Silva (2013)' TEEGOTOSTEWARD1 = 'Tee, Gotoh, and Stewart CSP with Tc (1966)' TEEGOTOSTEWARD2 = 'Tee, Gotoh, and Stewart CSP with Tc, omega (1966)' BSLC = 'Bird, Stewart, and Light (2002) critical relation' BSLB = 'Bird, Stewart, and Light (2002) boiling relation' BSLM = 'Bird, Stewart, and Light (2002) melting relation' _LJ_data_loaded = False def _load_LJ_data(): global _LJ_data_loaded, LJ_data_Magalhaes, LJ_sources
'DIPPR101_ABC_coeffs_from_point' ] import os from fluids.constants import R from fluids.numerics import numpy as np from math import e from chemicals.utils import log, exp, sqrt, isnan from chemicals.utils import PY37, source_path, os_path_join, can_load_data from chemicals.dippr import EQ101 from chemicals import miscdata from chemicals.data_reader import register_df_source, data_source folder = os_path_join(source_path, 'Vapor Pressure') register_df_source(folder, 'Antoine Collection Poling.tsv') register_df_source( folder, 'Table 2-8 Vapor Pressure of Inorganic and Organic Liquids.tsv') register_df_source(folder, 'Wagner Original McGarry.tsv', csv_kwargs={ 'dtype': { 'A': float, 'B': float, 'C': float, 'D': float, 'Pc': float, 'Tc': float, 'Tmin': float }
In [2]: chemicals.permittivity.permittivity_data_CRC """ from __future__ import division __all__ = ['permittivity_IAPWS'] import os from fluids.numerics import numpy as np from fluids.constants import N_A, epsilon_0, k from chemicals.utils import sqrt, PY37, source_path, os_path_join, can_load_data from chemicals.data_reader import register_df_source, data_source folder = os_path_join(source_path, 'Electrolytes') register_df_source(folder, 'Permittivity (Dielectric Constant) of Liquids.tsv') _permittivity_data_loaded = False 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) if PY37: def __getattr__(name):
__all__ = [ 'Tt_all_methods', 'Tt_methods', 'Tt', 'Pt_all_methods', 'Pt_methods', 'Pt' ] import os from chemicals.utils import mark_numba_incompatible from chemicals.utils import PY37, source_path, os_path_join, can_load_data from chemicals.phase_change import Tm from chemicals.data_reader import (register_df_source, data_source, retrieve_from_df_dict, retrieve_any_from_df_dict, list_available_methods_from_df_dict) # Register data sources and lazy load them folder = os_path_join(source_path, 'Triple Properties') register_df_source(folder, 'Staveley 1981.tsv') STAVELEY = 'STAVELEY' MELTING = 'MELTING' _triple_data_loaded = False 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()
from chemicals import heat_capacity from chemicals.data_reader import (register_df_source, data_source, retrieve_from_df_dict, retrieve_any_from_df_dict, list_available_methods_from_df_dict) # %% Register data sources and lazy load them CRC = 'CRC' YAWS = 'YAWS' API_TDB_G = 'API_TDB_G' ATCT_L = 'ATCT_L' ATCT_G = 'ATCT_G' TRC = 'TRC' folder = os_path_join(source_path, 'Reactions') register_df_source(folder, 'API TDB Albahri Hf (g).tsv') register_df_source(folder, 'ATcT 1.112 (g).tsv') register_df_source(folder, 'ATcT 1.112 (l).tsv') register_df_source(folder, 'Yaws Hf S0 (g).tsv') _reaction_data_loaded = False 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')
from fluids.numerics import interp from fluids.constants import pi, N_A from chemicals.utils import mark_numba_incompatible from chemicals.utils import PY37, source_path, os_path_join, can_load_data from chemicals.utils import sqrt, isnan from chemicals.data_reader import (register_df_source, data_source, retrieve_from_df_dict, retrieve_any_from_df_dict, list_available_methods_from_df_dict) # Register data sources and lazy load them folder = os_path_join(source_path, 'Misc') register_df_source(folder, 'CRC Handbook Organic RI.csv', csv_kwargs={'dtype': { 'RI': float, 'RIT': float }}) CRC = 'CRC' _RI_data_loaded = False 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, }
'Mersmann_Kind_surface_tension', 'API10A32', 'Hakim_Steinberg_Stiel', 'Miqueu', 'Aleem', 'Winterfeld_Scriven_Davis', 'Diguilio_Teja', 'Weinaug_Katz', 'Meybodi_Daryasafar_Karimi'] import os from fluids.numerics import numpy as np from fluids.constants import N_A, k from chemicals.utils import log, exp, sqrt from chemicals.utils import mixing_simple, PY37, source_path, os_path_join, can_load_data from chemicals.data_reader import register_df_source, data_source folder = os_path_join(source_path, 'Interface') register_df_source(folder, 'MuleroCachadinaParameters.tsv') register_df_source(folder, 'Jasper-Lange.tsv') register_df_source(folder, 'Somayajulu.tsv') register_df_source(folder, 'SomayajuluRevised.tsv') register_df_source(folder, 'VDI PPDS surface tensions.tsv') _interface_dfs_loaded = False 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)
import os from fluids.numerics import numpy as np from fluids.constants import R, N_A, pi from chemicals.utils import log from chemicals.utils import PY37, source_path, os_path_join, can_load_data from chemicals import miscdata from chemicals.data_reader import (register_df_source, data_source, retrieve_from_df_dict, retrieve_any_from_df_dict, list_available_methods_from_df_dict) ### Register data sources and lazy load them folder = os_path_join(source_path, 'Phase Change') register_df_source(folder, 'Yaws Boiling Points.tsv') register_df_source(folder, 'OpenNotebook Melting Points.tsv') register_df_source(folder, 'Ghazerati Appendix Vaporization Enthalpy.tsv', csv_kwargs={'dtype': { 'Hvap298': float }}) register_df_source(folder, 'CRC Handbook Heat of Vaporization.tsv') register_df_source(folder, 'CRC Handbook Heat of Fusion.tsv') register_df_source(folder, 'Ghazerati Appendix Sublimation Enthalpy.tsv') register_df_source( folder, 'Table 2-150 Heats of Vaporization of Inorganic and Organic Liquids.tsv') register_df_source(folder, 'VDI PPDS Enthalpies of vaporization.tsv') register_df_source(folder, 'Alibakhshi one-coefficient enthalpy of vaporization.tsv')
'GWP', 'ODP', 'logP', 'GWP_all_methods', 'ODP_all_methods', 'logP_all_methods', 'GWP_methods', 'ODP_methods', 'logP_methods' ] from chemicals.utils import mark_numba_incompatible from chemicals.utils import PY37, source_path, os_path_join, can_load_data from chemicals.data_reader import (register_df_source, data_source, retrieve_from_df, retrieve_any_from_df, retrieve_from_df_dict, retrieve_any_from_df_dict, list_available_methods_from_df, list_available_methods_from_df_dict) ### Register data sources and lazy load them folder = os_path_join(source_path, 'Environment') register_df_source(folder, 'Official Global Warming Potentials.tsv') register_df_source(folder, 'Ozone Depletion Potentials.tsv') register_df_source(folder, 'CRC logP table.tsv') register_df_source(folder, 'Syrres logP data.csv.gz', csv_kwargs={'compression': 'gzip'}) _GWP_ODP_data_loaded = False @mark_numba_incompatible 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')
'Rackett_fit', 'TDE_VDNS_rho', 'PPDS17', ] import os from fluids.numerics import np, splev, implementation_optimize_tck from fluids.constants import R, atm_inv, root_two from chemicals.utils import log, exp, isnan, sqrt from chemicals.utils import Vm_to_rho, mixing_simple, mark_numba_incompatible from chemicals.utils import PY37, source_path, os_path_join, can_load_data from chemicals.data_reader import data_source, register_df_source folder = os_path_join(source_path, 'Density') register_df_source(folder, 'COSTALD Parameters.tsv') register_df_source(folder, 'Mchaweh SN0 deltas.tsv') register_df_source(folder, 'Perry Parameters 105.tsv') register_df_source(folder, 'CRC Liquid Inorganic Constant Densities.tsv') register_df_source(folder, 'CRC Solid Inorganic Constant Densities.tsv') register_df_source(folder, 'VDI PPDS Density of Saturated Liquids.tsv', csv_kwargs={'dtype': { 'rhoc': float }}) register_df_source(folder, 'CRC Inorganics densties of molten compounds and salts.tsv', csv_kwargs={'dtype': { 'rho': float }})
from chemicals.utils import PY37, source_path, os_path_join, can_load_data from chemicals.data_reader import (register_df_source, data_source, retrieve_from_df_dict, retrieve_any_from_df_dict, list_available_methods_from_df_dict) # %% Register data sources and lazy load them folder = os_path_join(source_path, 'Misc') CCCBDB = 'CCCBDB' MULLER = 'MULLER' POLING = 'POLING' register_df_source(folder, 'Poling Dipole.csv') register_df_source(folder, 'cccbdb.nist.gov Dipoles.csv') register_df_source(folder, 'Muller Supporting Info Dipoles.csv') _dipole_data_loaded = False 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,
return ppm ### Data NTP_codes = {1: 'Known', 2: 'Reasonably Anticipated'} IARC_codes = { 1: 'Carcinogenic to humans (1)', 11: 'Probably carcinogenic to humans (2A)', # 2A 12: 'Possibly carcinogenic to humans (2B)', # 2B 3: 'Not classifiable as to its carcinogenicity to humans (3)', 4: 'Probably not carcinogenic to humans (4)' } folder = os.path.join(os.path.dirname(__file__), 'Safety') register_df_source(folder, 'NFPA 497 2008.tsv') register_df_source(folder, 'IS IEC 60079-20-1 2010.tsv') register_df_source(folder, 'DIPPR T_flash Serat.csv') register_df_source(folder, 'National Toxicology Program Carcinogens.tsv') register_df_source(folder, 'IARC Carcinogen Database.tsv') _safety_data_loaded = False IEC = 'IEC 60079-20-1 (2010)' NFPA = 'NFPA 497 (2008)' SERAT = 'Serat DIPPR (2017)' SUZUKI = 'Suzuki (1994)' CROWLLOUVAR = 'Crowl and Louvar (2001)' def _load_safety_data():
.. autofunction:: chemicals.miscdata.lookup_VDI_tabular_data """ __all__ = ['lookup_VDI_tabular_data'] import os from chemicals.utils import PY37, source_path, os_path_join, can_load_data from chemicals.data_reader import register_df_source, data_source ### Register data sources and lazy load them folder = os_path_join(source_path, 'Misc') ### CRC Handbook general tables register_df_source(folder, 'Physical Constants of Inorganic Compounds.csv') register_df_source(folder, 'Physical Constants of Organic Compounds.csv') _VDI_dict_loaded = False def _load_VDI_saturation_dict(): """Read in a dict of assorted chemical properties at saturation for 58 industrially important chemicals, from: Gesellschaft, V. D. I., ed. VDI Heat Atlas. 2E. Berlin : Springer, 2010. This listing is the successor to that in: Schlunder, Ernst U, and International Center for Heat and Mass Transfer. Heat Exchanger Design Handbook. Washington: Hemisphere Pub. Corp., 1983. """ import json