Legacy Mixtures (thermo.mixture)¶

class thermo.mixture.Mixture(IDs=None, zs=None, ws=None, Vfls=None, Vfgs=None, T=None, P=None, VF=None, H=None, Hm=None, S=None, Sm=None, pkg=None, Vf_TP=(None, None))[source]¶

Bases: object

Creates a Mixture object which contains basic information such as molecular weight and the structure of the species, as well as thermodynamic and transport properties as a function of two of the variables temperature, pressure, vapor fraction, enthalpy, or entropy.

The components of the mixture must be specified by specifying the names of the chemicals; the composition can be specified by providing any one of the following parameters:

Mass fractions ws
Mole fractions zs
Liquid volume fractions (based on pure component densities) Vfls
Gas volume fractions (based on pure component densities) Vfgs

If volume fractions are provided, by default the pure component volumes are calculated at the specified T and P. To use another reference temperature and pressure specify it as a tuple for the argument Vf_TP.

If no thermodynamic conditions are specified, or if only one of T and P are specifed without another thermodynamic variable as well, the T and P 298.15 K and/or 101325 Pa will be set instead of the missing variables.

Parameters:

IDslist, optional: List of chemical identifiers - names, CAS numbers, SMILES or InChi strings can all be recognized and may be mixed [-]
zslist or dict, optional: Mole fractions of all components in the mixture [-]
wslist or dict, optional: Mass fractions of all components in the mixture [-]
Vflslist or dict, optional: Volume fractions of all components as a hypothetical liquid phase based on pure component densities [-]
Vfgslist, or dict optional: Volume fractions of all components as a hypothetical gas phase based on pure component densities [-]
Tfloat, optional: Temperature of the mixture (default 298.15 K), [K]
Pfloat, optional: Pressure of the mixture (default 101325 Pa) [Pa]
VFfloat, optional: Vapor fraction (mole basis) of the mixture, [-]
Hmfloat, optional: Molar enthalpy of the mixture, [J/mol]
Hfloat, optional: Mass enthalpy of the mixture, [J/kg]
Smfloat, optional: Molar entropy of the mixture, [J/mol/K]
Sfloat, optional: Mass entropy of the mixture, [J/kg/K]
pkgobject: The thermodynamic property package to use for flash calculations; one of the caloric packages in thermo.property_package; defaults to the ideal model [-]
Vf_TPtuple(2, float), optional: The (T, P) at which the volume fractions are specified to be at, [K] and [Pa]

Attributes:

MWfloat: Mole-weighted average molecular weight all chemicals in the mixture, [g/mol]
IDslist of str: Names of all the species in the mixture as given in the input, [-]
nameslist of str: Names of all the species in the mixture, [-]
CASslist of str: CAS numbers of all species in the mixture, [-]
MWslist of float: Molecular weights of all chemicals in the mixture, [g/mol]
Tmslist of float: Melting temperatures of all chemicals in the mixture, [K]
Tbslist of float: Boiling temperatures of all chemicals in the mixture, [K]
Tcslist of float: Critical temperatures of all chemicals in the mixture, [K]
Pcslist of float: Critical pressures of all chemicals in the mixture, [Pa]
Vcslist of float: Critical volumes of all chemicals in the mixture, [m^3/mol]
Zcslist of float: Critical compressibilities of all chemicals in the mixture, [-]
rhocslist of float: Critical densities of all chemicals in the mixture, [kg/m^3]
rhocmslist of float: Critical molar densities of all chemicals in the mixture, [mol/m^3]
omegaslist of float: Acentric factors of all chemicals in the mixture, [-]
StielPolarslist of float: Stiel Polar factors of all chemicals in the mixture, see chemicals.acentric.Stiel_polar_factor for the definition, [-]
Ttslist of float: Triple temperatures of all chemicals in the mixture, [K]
Ptslist of float: Triple pressures of all chemicals in the mixture, [Pa]
Hfusslist of float: Enthalpy of fusions of all chemicals in the mixture, [J/kg]
Hfusmslist of float: Molar enthalpy of fusions of all chemicals in the mixture, [J/mol]
Hsubslist of float: Enthalpy of sublimations of all chemicals in the mixture, [J/kg]
Hsubmslist of float: Molar enthalpy of sublimations of all chemicals in the mixture, [J/mol]
Hfmslist of float: Molar enthalpy of formations of all chemicals in the mixture, [J/mol]
Hfslist of float: Enthalpy of formations of all chemicals in the mixture, [J/kg]
Gfmslist of float: Molar Gibbs free energies of formation of all chemicals in the mixture, [J/mol]
Gfslist of float: Gibbs free energies of formation of all chemicals in the mixture, [J/kg]
Sfmslist of float: Molar entropy of formation of all chemicals in the mixture, [J/mol/K]
Sfslist of float: Entropy of formation of all chemicals in the mixture, [J/kg/K]
S0mslist of float: Standard absolute entropies of all chemicals in the mixture, [J/mol/K]
S0slist of float: Standard absolute entropies of all chemicals in the mixture, [J/kg/K]
Hcmslist of float: Molar higher heats of combustions of all chemicals in the mixture, [J/mol]
Hcslist of float: Higher heats of combustions of all chemicals in the mixture, [J/kg]
Hcms_lowerlist of float: Molar lower heats of combustions of all chemicals in the mixture, [J/mol]
Hcs_lowerlist of float: Higher lower of combustions of all chemicals in the mixture, [J/kg]
Tflashslist of float: Flash points of all chemicals in the mixture, [K]
Tautoignitionslist of float: Autoignition points of all chemicals in the mixture, [K]
LFLslist of float: Lower flammability limits of the gases in an atmosphere at STP, mole fractions, [-]
UFLslist of float: Upper flammability limit of the gases in an atmosphere at STP, mole fractions, [-]
TWAslist of list of tuple(quantity, unit): Time-Weighted Average limits on worker exposure to dangerous chemicals.
STELslist of tuple(quantity, unit): Short-term Exposure limits on worker exposure to dangerous chemicals.
Ceilingslist of tuple(quantity, unit): Ceiling limits on worker exposure to dangerous chemicals.
Skinslist of bool: Whether or not each of the chemicals can be absorbed through the skin.
Carcinogenslist of str or dict: Carcinogen status information for each chemical in the mixture.
Chemicalslist of Chemical instances: Chemical instances used in calculating mixture properties, [-]
dipoleslist of float: Dipole moments of all chemicals in the mixture in debye, [3.33564095198e-30 ampere*second^2]
Stockmayerslist of float: Lennard-Jones depth of potential-energy minimum over k for all chemicals in the mixture, [K]
molecular_diameterslist of float: Lennard-Jones molecular diameters of all chemicals in the mixture, [angstrom]
GWPslist of float: Global warming potentials (default 100-year outlook) (impact/mass chemical)/(impact/mass CO2) of all chemicals in the mixture, [-]
ODPslist of float: Ozone Depletion potentials (impact/mass chemical)/(impact/mass CFC-11), of all chemicals in the mixture, [-]
logPslist of float: Octanol-water partition coefficients of all chemicals in the mixture, [-]
Psat_298slist of float: Vapor pressure of the chemicals in the mixture at 298.15 K, [Pa]
phase_STPslist of str: Phase of the chemicals in the mixture at 298.15 K and 101325 Pa; one of ‘s’, ‘l’, ‘g’, or ‘l/g’.
Vml_Tbslist of float: Molar volumes of the chemicals in the mixture as liquids at their normal boiling points, [m^3/mol]
Vml_Tmslist of float: Molar volumes of the chemicals in the mixture as liquids at their melting points, [m^3/mol]
Vml_STPslist of float: Molar volume of the chemicals in the mixture as liquids at 298.15 K and 101325 Pa, [m^3/mol]
rhoml_STPslist of float: Molar densities of the chemicals in the mixture as liquids at 298.15 K and 101325 Pa, [mol/m^3]
Vmg_STPslist of float: Molar volume of the chemicals in the mixture as gases at 298.15 K and 101325 Pa, [m^3/mol]
Vms_Tmslist of float: Molar volumes of solid phase at the melting point [m^3/mol]
rhos_Tmslist of float: Mass densities of solid phase at the melting point [kg/m^3]
Hvap_Tbmslist of float: Molar enthalpies of vaporization of the chemicals in the mixture at their normal boiling points, [J/mol]
Hvap_Tbslist of float: Mass enthalpies of vaporization of the chemicals in the mixture at their normal boiling points, [J/kg]
alpha: Thermal diffusivity of the mixture at its current temperature, pressure, and phase in units of [m^2/s].
alphag: Thermal diffusivity of the gas phase of the mixture if one exists at its current temperature and pressure, in units of [m^2/s].
alphags: Pure component thermal diffusivities of the chemicals in the mixture in the gas phase at the current temperature and pressure, in units of [m^2/s].
alphal: Thermal diffusivity of the liquid phase of the mixture if one exists at its current temperature and pressure, in units of [m^2/s].
alphals: Pure component thermal diffusivities of the chemicals in the mixture in the liquid phase at the current temperature and pressure, in units of [m^2/s].
A: Helmholtz energy of the mixture at its current state, in units of [J/kg].
Am: Helmholtz energy of the mixture at its current state, in units of [J/mol].
atom_fractions: Dictionary of atomic fractions for each atom in the mixture.
atom_fractionss: List of dictionaries of atomic fractions for all chemicals in the mixture.
atomss: List of dictionaries of atom counts for all chemicals in the mixture.
Bvirial: Second virial coefficient of the gas phase of the mixture at its current temperature, pressure, and composition in units of [mol/m^3].
charges: Charges for all chemicals in the mixture, [faraday].
Cp: Mass heat capacity of the mixture at its current phase and temperature, in units of [J/kg/K].
Cpg: Gas-phase heat capacity of the mixture at its current temperature , and composition in units of [J/kg/K].
Cpgm: Gas-phase heat capacity of the mixture at its current temperature and composition, in units of [J/mol/K].
Cpgms: Gas-phase ideal gas heat capacity of the chemicals at its current temperature, in units of [J/mol/K].
Cpgs: Gas-phase pure component heat capacity of the chemicals in the mixture at its current temperature, in units of [J/kg/K].
Cpl: Liquid-phase heat capacity of the mixture at its current temperature and composition, in units of [J/kg/K].
Cplm: Liquid-phase heat capacity of the mixture at its current temperature and composition, in units of [J/mol/K].
Cplms: Liquid-phase pure component heat capacity of the chemicals in the mixture at its current temperature, in units of [J/mol/K].
Cpls: Liquid-phase pure component heat capacity of the chemicals in the mixture at its current temperature, in units of [J/kg/K].
Cpm: Molar heat capacity of the mixture at its current phase and temperature, in units of [J/mol/K].
Cps: Solid-phase heat capacity of the mixture at its current temperature and composition, in units of [J/kg/K].
Cpsm: Solid-phase heat capacity of the mixture at its current temperature and composition, in units of [J/mol/K].
Cpsms: Solid-phase pure component heat capacity of the chemicals in the mixture at its current temperature, in units of [J/mol/K].
Cpss: Solid-phase pure component heat capacity of the chemicals in the mixture at its current temperature, in units of [J/kg/K].
Cvg: Gas-phase ideal-gas contant-volume heat capacity of the mixture at its current temperature, in units of [J/kg/K].
Cvgm: Gas-phase ideal-gas contant-volume heat capacity of the mixture at its current temperature and composition, in units of [J/mol/K].
Cvgms: Gas-phase pure component ideal-gas contant-volume heat capacities of the chemicals in the mixture at its current temperature, in units of [J/mol/K].
Cvgs: Gas-phase pure component ideal-gas contant-volume heat capacities of the chemicals in the mixture at its current temperature, in units of [J/kg/K].
economic_statuses: List of dictionaries of the economic status for all chemicals in the mixture.
eos: Equation of state object held by the mixture.
formulas: Chemical formulas for all chemicals in the mixture.
Hvapms: Pure component enthalpies of vaporization of the chemicals in the mixture at its current temperature, in units of [J/mol].
Hvaps: Enthalpy of vaporization of the chemicals in the mixture at its current temperature, in units of [J/kg].
InChI_Keys: InChI keys for all chemicals in the mixture.
InChIs: InChI strings for all chemicals in the mixture.
isentropic_exponent: Gas-phase ideal-gas isentropic exponent of the mixture at its current temperature, [dimensionless].
isentropic_exponents: Gas-phase pure component ideal-gas isentropic exponent of the chemicals in the mixture at its current temperature, [dimensionless].
isobaric_expansion: Isobaric (constant-pressure) expansion of the mixture at its current phase, temperature, and pressure in units of [1/K].
isobaric_expansion_g: Isobaric (constant-pressure) expansion of the gas phase of the mixture at its current temperature and pressure, in units of [1/K].
isobaric_expansion_gs: Pure component isobaric (constant-pressure) expansions of the chemicals in the mixture in the gas phase at its current temperature and pressure, in units of [1/K].
isobaric_expansion_l: Isobaric (constant-pressure) expansion of the liquid phase of the mixture at its current temperature and pressure, in units of [1/K].
isobaric_expansion_ls: Pure component isobaric (constant-pressure) expansions of the chemicals in the mixture in the liquid phase at its current temperature and pressure, in units of [1/K].
IUPAC_names: IUPAC names for all chemicals in the mixture.
JT: Joule Thomson coefficient of the mixture at its current phase, temperature, and pressure in units of [K/Pa].
JTg: Joule Thomson coefficient of the gas phase of the mixture if one exists at its current temperature and pressure, in units of [K/Pa].
JTgs: Pure component Joule Thomson coefficients of the chemicals in the mixture in the gas phase at its current temperature and pressure, in units of [K/Pa].
JTl: Joule Thomson coefficient of the liquid phase of the mixture if one exists at its current temperature and pressure, in units of [K/Pa].
JTls: Pure component Joule Thomson coefficients of the chemicals in the mixture in the liquid phase at its current temperature and pressure, in units of [K/Pa].
k: Thermal conductivity of the mixture at its current phase, temperature, and pressure in units of [W/m/K].
kg: Thermal conductivity of the mixture in the gas phase at its current temperature, pressure, and composition in units of [Pa*s].
kgs: Pure component thermal conductivies of the chemicals in the mixture in the gas phase at its current temperature and pressure, in units of [W/m/K].
kl: Thermal conductivity of the mixture in the liquid phase at its current temperature, pressure, and composition in units of [Pa*s].
kls: Pure component thermal conductivities of the chemicals in the mixture in the liquid phase at its current temperature and pressure, in units of [W/m/K].
legal_statuses: List of dictionaries of the legal status for all chemicals in the mixture.
mass_fractions: Dictionary of mass fractions for each atom in the mixture.
mass_fractionss: List of dictionaries of mass fractions for all chemicals in the mixture.
mu: Viscosity of the mixture at its current phase, temperature, and pressure in units of [Pa*s].
mug: Viscosity of the mixture in the gas phase at its current temperature, pressure, and composition in units of [Pa*s].
mugs: Pure component viscosities of the chemicals in the mixture in the gas phase at its current temperature and pressure, in units of [Pa*s].
mul: Viscosity of the mixture in the liquid phase at its current temperature, pressure, and composition in units of [Pa*s].
muls: Pure component viscosities of the chemicals in the mixture in the liquid phase at its current temperature and pressure, in units of [Pa*s].
nu: Kinematic viscosity of the the mixture at its current temperature, pressure, and phase in units of [m^2/s].
nug: Kinematic viscosity of the gas phase of the mixture if one exists at its current temperature and pressure, in units of [m^2/s].
nugs: Pure component kinematic viscosities of the gas phase of the chemicals in the mixture at its current temperature and pressure, in units of [m^2/s].
nul: Kinematic viscosity of the liquid phase of the mixture if one exists at its current temperature and pressure, in units of [m^2/s].
nuls: Pure component kinematic viscosities of the liquid phase of the chemicals in the mixture at its current temperature and pressure, in units of [m^2/s].
permittivites: Pure component relative permittivities of the chemicals in the mixture at its current temperature, [dimensionless].
Pr: Prandtl number of the mixture at its current temperature, pressure, and phase; [dimensionless].
Prg: Prandtl number of the gas phase of the mixture if one exists at its current temperature and pressure, [dimensionless].
Prgs: Pure component Prandtl numbers of the gas phase of the chemicals in the mixture at its current temperature and pressure, [dimensionless].
Prl: Prandtl number of the liquid phase of the mixture if one exists at its current temperature and pressure, [dimensionless].
Prls: Pure component Prandtl numbers of the liquid phase of the chemicals in the mixture at its current temperature and pressure, [dimensionless].
Psats: Pure component vapor pressures of the chemicals in the mixture at its current temperature, in units of [Pa].
PSRK_groups: List of dictionaries of PSRK subgroup: count groups for each chemical in the mixture.
PubChems: PubChem Component ID numbers for all chemicals in the mixture.
rho: Mass density of the mixture at its current phase and temperature and pressure, in units of [kg/m^3].
rhog: Gas-phase mass density of the mixture at its current temperature, pressure, and composition in units of [kg/m^3].
rhogm: Molar density of the mixture in the gas phase at the current temperature, pressure, and composition in units of [mol/m^3].
rhogms: Pure component molar densities of the chemicals in the gas phase at the current temperature and pressure, in units of [mol/m^3].
rhogm_STP: Molar density of the mixture in the gas phase at 298.15 K and 101.325 kPa, and the current composition, in units of [mol/m^3].
rhogs: Pure-component gas-phase mass densities of the chemicals in the mixture at its current temperature and pressure, in units of [kg/m^3].
rhog_STP: Gas-phase mass density of the mixture at 298.15 K and 101.325 kPa, and the current composition in units of [kg/m^3].
rhol: Liquid-phase mass density of the mixture at its current temperature, pressure, and composition in units of [kg/m^3].
rholm: Molar density of the mixture in the liquid phase at the current temperature, pressure, and composition in units of [mol/m^3].
rholms: Pure component molar densities of the chemicals in the mixture in the liquid phase at the current temperature and pressure, in units of [mol/m^3].
rholm_STP: Molar density of the mixture in the liquid phase at 298.15 K and 101.325 kPa, and the current composition, in units of [mol/m^3].
rhols: Pure-component liquid-phase mass density of the chemicals in the mixture at its current temperature and pressure, in units of [kg/m^3].
rhol_STP: Liquid-phase mass density of the mixture at 298.15 K and 101.325 kPa, and the current composition in units of [kg/m^3].
rhom: Molar density of the mixture at its current phase and temperature and pressure, in units of [mol/m^3].
rhosms: Pure component molar densities of the chemicals in the solid phase at the current temperature and pressure, in units of [mol/m^3].
rhoss: Pure component solid-phase mass density of the chemicals in the mixture at its current temperature, in units of [kg/m^3].
ringss: List of ring counts for all chemicals in the mixture.
sigma: Surface tension of the mixture at its current temperature and composition, in units of [N/m].
sigmas: Pure component surface tensions of the chemicals in the mixture at its current temperature, in units of [N/m].
smiless: SMILES strings for all chemicals in the mixture.
solubility_parameters: Pure component solubility parameters of the chemicals in the mixture at its current temperature and pressure, in units of [Pa^0.5].
synonymss: Lists of synonyms for all chemicals in the mixture.
U: Internal energy of the mixture at its current state, in units of [J/kg].
Um: Internal energy of the mixture at its current state, in units of [J/mol].
UNIFAC_Dortmund_groups: List of dictionaries of Dortmund UNIFAC subgroup: count groups for each chemcial in the mixture.
UNIFAC_groups: List of dictionaries of UNIFAC subgroup: count groups for each chemical in the mixture.
Vm: Molar volume of the mixture at its current phase and temperature and pressure, in units of [m^3/mol].
Vmg: Gas-phase molar volume of the mixture at its current temperature, pressure, and composition in units of [m^3/mol].
Vmgs: Pure component gas-phase molar volumes of the chemicals in the mixture at its current temperature and pressure, in units of [m^3/mol].
Vmg_STP: Gas-phase molar volume of the mixture at 298.15 K and 101.325 kPa, and the current composition in units of [m^3/mol].
Vml: Liquid-phase molar volume of the mixture at its current temperature, pressure, and composition in units of [m^3/mol].
Vmls: Pure component liquid-phase molar volumes of the chemicals in the mixture at its current temperature and pressure, in units of [m^3/mol].
Vml_STP: Liquid-phase molar volume of the mixture at 298.15 K and 101.325 kPa, and the current composition in units of [m^3/mol].
Vmss: Pure component solid-phase molar volumes of the chemicals in the mixture at its current temperature, in units of [m^3/mol].
Z: Compressibility factor of the mixture at its current phase and temperature and pressure, [dimensionless].
Zg: Compressibility factor of the mixture in the gas phase at the current temperature, pressure, and composition, [dimensionless].
Zgs: Pure component compressibility factors of the chemicals in the mixture in the gas phase at the current temperature and pressure, [dimensionless].
Zg_STP: Gas-phase compressibility factor of the mixture at 298.15 K and 101.325 kPa, and the current composition, [dimensionless].
Zl: Compressibility factor of the mixture in the liquid phase at the current temperature, pressure, and composition, [dimensionless].
Zls: Pure component compressibility factors of the chemicals in the liquid phase at the current temperature and pressure, [dimensionless].
Zl_STP: Liquid-phase compressibility factor of the mixture at 298.15 K and 101.325 kPa, and the current composition, [dimensionless].
Zss: Pure component compressibility factors of the chemicals in the mixture in the solid phase at the current temperature and pressure, [dimensionless].

Methods

`Hc_volumetric_g`([T, P])	Standard higher molar heat of combustion of the mixture, in units of [J/m^3] at the specified T and P in the gas phase.
`Hc_volumetric_g_lower`([T, P])	Standard lower molar heat of combustion of the mixture, in units of [J/m^3] at the specified T and P in the gas phase.
`Vfgs`([T, P])	Volume fractions of all species in a hypothetical pure-gas phase at the current or specified temperature and pressure.
`Vfls`([T, P])	Volume fractions of all species in a hypothetical pure-liquid phase at the current or specified temperature and pressure.
`draw_2d`([Hs])	Interface for drawing a 2D image of all the molecules in the mixture.
`set_chemical_TP`([T, P])	Basic method to change all chemical instances to be at the T and P specified.
`set_chemical_constants`()	Basic method which retrieves and sets constants of chemicals to be accessible as lists from a Mixture object.

Bond
Capillary
Grashof
Jakob
Peclet_heat
Reynolds
Weber
compound_index
eos_pures
flash_caloric
properties
set_Chemical_property_objects
set_TP_sources
set_constant_sources
set_constants
set_eos
set_property_package

Notes

Warning

The Mixture class is not designed for high-performance or the ability to use different thermodynamic models. It is especially limited in its multiphase support and the ability to solve with specifications other than temperature and pressure. It is impossible to change constant properties such as a compound’s critical temperature in this interface.

It is recommended to switch over to the thermo.flash interface which solves those problems and is better positioned to grow. That interface also requires users to be responsible for their chemical constants and pure component correlations; while default values can easily be loaded for most compounds, the user is ultimately responsible for them.

Examples

Creating Mixture objects:

>>> Mixture(['water', 'ethanol'], Vfls=[.6, .4], T=300, P=1E5)
<Mixture, components=['water', 'ethanol'], mole fractions=[0.8299, 0.1701], T=300.00 K, P=100000 Pa>

For mixtures with large numbers of components, it may be confusing to enter the composition separate from the names of the chemicals. For that case, the syntax using dictionaries as follows is supported with any composition specification:

>>> comp = OrderedDict([('methane', 0.96522),
...                     ('nitrogen', 0.00259),
...                     ('carbon dioxide', 0.00596),
...                     ('ethane', 0.01819),
...                     ('propane', 0.0046),
...                     ('isobutane', 0.00098),
...                     ('butane', 0.00101),
...                     ('2-methylbutane', 0.00047),
...                     ('pentane', 0.00032),
...                     ('hexane', 0.00066)])
>>> m = Mixture(zs=comp)

property A¶

Helmholtz energy of the mixture at its current state, in units of [J/kg].

This property requires that the property package of the mixture found a solution to the given state variables. It also depends on the molar volume of the mixture at its current conditions.

property API¶

API gravity of the hypothetical liquid phase of the mixture, [degrees]. The reference condition is water at 15.6 °C (60 °F) and 1 atm (rho=999.016 kg/m^3, standardized).

Examples

>>> Mixture(['hexane', 'decane'], ws=[0.5, 0.5]).API
71.34707841728181

property Am¶

Helmholtz energy of the mixture at its current state, in units of [J/mol].

This property requires that the property package of the mixture found a solution to the given state variables. It also depends on the molar volume of the mixture at its current conditions.

Bond(L=None)[source]¶

property Bvirial¶

Second virial coefficient of the gas phase of the mixture at its current temperature, pressure, and composition in units of [mol/m^3].

This property uses the object-oriented interface thermo.volume.VolumeGasMixture, converting its result with thermo.utils.B_from_Z.

Examples

>>> Mixture(['hexane'], ws=[1], T=300, P=1E5).Bvirial
-0.001486976173801296

Capillary(V=None)[source]¶

property Cp¶

Mass heat capacity of the mixture at its current phase and temperature, in units of [J/kg/K].

Examples

>>> w = Mixture(['water'], ws=[1])
>>> w.Cp, w.phase
(4180.597021827336, 'l')
>>> Pd = Mixture(['palladium'], ws=[1])
>>> Pd.Cp, Pd.phase
(234.26767209171211, 's')

property Cpg¶

Gas-phase heat capacity of the mixture at its current temperature , and composition in units of [J/kg/K]. For calculation of this property at other temperatures or compositions, or specifying manually the method used to calculate it, and more - see the object oriented interface thermo.heat_capacity.HeatCapacityGasMixture; each Mixture instance creates one to actually perform the calculations. Note that that interface provides output in molar units.

Examples

>>> Mixture(['oxygen', 'nitrogen'], ws=[.4, .6], T=350, P=1E6).Cpg
995.8911053614883

property Cpgm¶

Gas-phase heat capacity of the mixture at its current temperature and composition, in units of [J/mol/K]. For calculation of this property at other temperatures or compositions, or specifying manually the method used to calculate it, and more - see the object oriented interface thermo.heat_capacity.HeatCapacityGasMixture; each Mixture instance creates one to actually perform the calculations.

Examples

>>> Mixture(['oxygen', 'nitrogen'], ws=[.4, .6], T=350, P=1E6).Cpgm
29.361044582498046

property Cpgms¶

Gas-phase ideal gas heat capacity of the chemicals at its current temperature, in units of [J/mol/K].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).Cpgms
[89.55804092586159, 111.70390334788907]

property Cpgs¶

Gas-phase pure component heat capacity of the chemicals in the mixture at its current temperature, in units of [J/kg/K].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).Cpgs
[1146.5360555565146, 1212.3488046342566]

property Cpl¶

Liquid-phase heat capacity of the mixture at its current temperature and composition, in units of [J/kg/K]. For calculation of this property at other temperatures or compositions, or specifying manually the method used to calculate it, and more - see the object oriented interface thermo.heat_capacity.HeatCapacityLiquidMixture; each Mixture instance creates one to actually perform the calculations. Note that that interface provides output in molar units.

Examples

>>> Mixture(['water', 'sodium chloride'], ws=[.9, .1], T=301.5).Cpl
3735.4604049449786

property Cplm¶

Liquid-phase heat capacity of the mixture at its current temperature and composition, in units of [J/mol/K]. For calculation of this property at other temperatures or compositions, or specifying manually the method used to calculate it, and more - see the object oriented interface thermo.heat_capacity.HeatCapacityLiquidMixture; each Mixture instance creates one to actually perform the calculations.

Examples

>>> Mixture(['toluene', 'decane'], ws=[.9, .1], T=300).Cplm
168.29127923518843

property Cplms¶

Liquid-phase pure component heat capacity of the chemicals in the mixture at its current temperature, in units of [J/mol/K].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).Cplms
[140.9113971170526, 163.62584810669068]

property Cpls¶

Liquid-phase pure component heat capacity of the chemicals in the mixture at its current temperature, in units of [J/kg/K].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).Cpls
[1803.9697581961016, 1775.869915141704]

property Cpm¶

Molar heat capacity of the mixture at its current phase and temperature, in units of [J/mol/K]. Available only if single phase.

Examples

>>> Mixture(['ethylbenzene'], ws=[1], T=550, P=3E6).Cpm
294.18449553310046

property Cps¶

Solid-phase heat capacity of the mixture at its current temperature and composition, in units of [J/kg/K]. For calculation of this property at other temperatures or compositions, or specifying manually the method used to calculate it, and more - see the object oriented interface thermo.heat_capacity.HeatCapacitySolidMixture; each Mixture instance creates one to actually perform the calculations. Note that that interface provides output in molar units.

Examples

>>> Mixture(['silver', 'platinum'], ws=[0.95, 0.05]).Cps
229.55166388430328

property Cpsm¶

Solid-phase heat capacity of the mixture at its current temperature and composition, in units of [J/mol/K]. For calculation of this property at other temperatures or compositions, or specifying manually the method used to calculate it, and more - see the object oriented interface thermo.heat_capacity.HeatCapacitySolidMixture; each Mixture instance creates one to actually perform the calculations.

Examples

>>> Mixture(['silver', 'platinum'], ws=[0.95, 0.05]).Cpsm
25.32745796347474

property Cpsms¶

Solid-phase pure component heat capacity of the chemicals in the mixture at its current temperature, in units of [J/mol/K].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).Cpsms
[109.77384365511931, 135.22614707678474]

property Cpss¶

Solid-phase pure component heat capacity of the chemicals in the mixture at its current temperature, in units of [J/kg/K].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).Cpss
[1405.341925822248, 1467.6412627521154]

property Cvg¶

Gas-phase ideal-gas contant-volume heat capacity of the mixture at its current temperature, in units of [J/kg/K]. Subtracts R from the ideal-gas heat capacity; does not include pressure-compensation from an equation of state.

Examples

>>> Mixture(['water'], ws=[1], T=520).Cvg
1506.1471795798861

property Cvgm¶

Gas-phase ideal-gas contant-volume heat capacity of the mixture at its current temperature and composition, in units of [J/mol/K]. Subtracts R from the ideal-gas heat capacity; does not include pressure-compensation from an equation of state.

Examples

>>> Mixture(['water'], ws=[1], T=520).Cvgm
27.13366316134193

property Cvgms¶

Gas-phase pure component ideal-gas contant-volume heat capacities of the chemicals in the mixture at its current temperature, in units of [J/mol/K]. Subtracts R from the ideal-gas heat capacities; does not include pressure-compensation from an equation of state.

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).Cvgms
[81.2435811258616, 103.38944354788907]

property Cvgs¶

Gas-phase pure component ideal-gas contant-volume heat capacities of the chemicals in the mixture at its current temperature, in units of [J/kg/K]. Subtracts R from the ideal-gas heat capacity; does not include pressure-compensation from an equation of state.

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).Cvgs
[1040.093040003431, 1122.1100117398266]

Grashof(Tw=None, L=None)[source]¶

H = None¶

property Hc¶

Standard higher heat of combustion of the mixture, in units of [J/kg].

This property depends on the bulk composition only.

property Hc_lower¶

Standard lower heat of combustion of the mixture, in units of [J/kg].

This property depends on the bulk composition only.

Hc_volumetric_g(T=288.7055555555555, P=101325.0)[source]¶

Standard higher molar heat of combustion of the mixture, in units of [J/m^3] at the specified T and P in the gas phase.

This property depends on the bulk composition only.

Parameters:

Tfloat, optional: Reference temperature, [K]
Pfloat, optional: Reference pressure, [Pa]

Returns:

Hc_volumetric_gfloat, optional: Higher heat of combustion on a volumetric basis, [J/m^3]

Hc_volumetric_g_lower(T=288.7055555555555, P=101325.0)[source]¶

Standard lower molar heat of combustion of the mixture, in units of [J/m^3] at the specified T and P in the gas phase.

This property depends on the bulk composition only.

Parameters:

Tfloat, optional: Reference temperature, [K]
Pfloat, optional: Reference pressure, [Pa]

Returns:

Hc_volumetric_gfloat, optional: Lower heat of combustion on a volumetric basis, [J/m^3]

property Hcm¶

Standard higher molar heat of combustion of the mixture, in units of [J/mol].

This property depends on the bulk composition only.

property Hcm_lower¶

Standard lower molar heat of combustion of the mixture, in units of [J/mol].

This property depends on the bulk composition only.

Hm = None¶

property Hvapms¶

Pure component enthalpies of vaporization of the chemicals in the mixture at its current temperature, in units of [J/mol].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).Hvapms
[32639.806783391632, 36851.7902195611]

property Hvaps¶

Enthalpy of vaporization of the chemicals in the mixture at its current temperature, in units of [J/kg].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).Hvaps
[417859.9144942896, 399961.16950519773]

property IUPAC_names¶

IUPAC names for all chemicals in the mixture.

Examples

>>> Mixture(['1-hexene', '1-nonene'], zs=[.7, .3]).IUPAC_names
['hex-1-ene', 'non-1-ene']

property InChI_Keys¶

InChI keys for all chemicals in the mixture.

Examples

>>> Mixture(['1-nonene'], zs=[1]).InChI_Keys
['JRZJOMJEPLMPRA-UHFFFAOYSA-N']

property InChIs¶

InChI strings for all chemicals in the mixture.

Examples

>>> Mixture(['methane', 'ethane', 'propane', 'butane'],
... zs=[0.25, 0.25, 0.25, 0.25]).InChIs
['CH4/h1H4', 'C2H6/c1-2/h1-2H3', 'C3H8/c1-3-2/h3H2,1-2H3', 'C4H10/c1-3-4-2/h3-4H2,1-2H3']

property JT¶

Joule Thomson coefficient of the mixture at its current phase, temperature, and pressure in units of [K/Pa]. Available only if single phase.

\mu_{JT} = \left(\frac{\partial T}{\partial P}\right)_H = \frac{1}{C_p} \left[T \left(\frac{\partial V}{\partial T}\right)_P - V\right] = \frac{V}{C_p}\left(\beta T-1\right)

Examples

>>> Mixture(['water'], ws=[1]).JT
-2.2150394958666412e-07

property JTg¶

Joule Thomson coefficient of the gas phase of the mixture if one exists at its current temperature and pressure, in units of [K/Pa].

\mu_{JT} = \left(\frac{\partial T}{\partial P}\right)_H = \frac{1}{C_p} \left[T \left(\frac{\partial V}{\partial T}\right)_P - V\right] = \frac{V}{C_p}\left(\beta T-1\right)

Examples

>>> Mixture(['dodecane'], ws=[1], T=400, P=1000).JTg
5.4089897835384913e-05

property JTgs¶

Pure component Joule Thomson coefficients of the chemicals in the mixture in the gas phase at its current temperature and pressure, in units of [K/Pa].

\mu_{JT} = \left(\frac{\partial T}{\partial P}\right)_H = \frac{1}{C_p} \left[T \left(\frac{\partial V}{\partial T}\right)_P - V\right] = \frac{V}{C_p}\left(\beta T-1\right)

Examples

>>> Mixture(['benzene', 'hexane'], ws=[0.5, 0.5], T=320).JTgs
[6.0940046688790938e-05, 4.1290005523287549e-05]

property JTl¶

Joule Thomson coefficient of the liquid phase of the mixture if one exists at its current temperature and pressure, in units of [K/Pa].

\mu_{JT} = \left(\frac{\partial T}{\partial P}\right)_H = \frac{1}{C_p} \left[T \left(\frac{\partial V}{\partial T}\right)_P - V\right] = \frac{V}{C_p}\left(\beta T-1\right)

Examples

>>> Mixture(['dodecane'], ws=[1], T=400).JTl
-3.193910574559279e-07

property JTls¶

Pure component Joule Thomson coefficients of the chemicals in the mixture in the liquid phase at its current temperature and pressure, in units of [K/Pa].

\mu_{JT} = \left(\frac{\partial T}{\partial P}\right)_H = \frac{1}{C_p} \left[T \left(\frac{\partial V}{\partial T}\right)_P - V\right] = \frac{V}{C_p}\left(\beta T-1\right)

Examples

>>> Mixture(['benzene', 'hexane'], ws=[0.5, 0.5], T=320).JTls
[-3.8633730709853161e-07, -3.464395792560331e-07]

Jakob(Tw=None)[source]¶

property PSRK_groups¶

List of dictionaries of PSRK subgroup: count groups for each chemical in the mixture. Uses the PSRK subgroups, as determined by DDBST’s online service.

Examples

>>> Mixture(['1-pentanol', 'decane'], ws=[0.5, 0.5]).PSRK_groups
[{1: 1, 2: 4, 14: 1}, {1: 2, 2: 8}]

P_default = 101325.0¶

property Parachor¶

Parachor of the mixture at its current temperature and pressure, in units of [N^0.25*m^2.75/mol].

P = \frac{\sigma^{0.25} MW}{\rho_L - \rho_V}

Calculated based on surface tension, density of the liquid and gas phase, and molecular weight. For uses of this property, see thermo.utils.Parachor.

Examples

>>> Mixture(['benzene', 'hexane'], ws=[0.5, 0.5], T=320).Parachor
4.233407085050756e-05

property Parachors¶

Pure component Parachor parameters of the chemicals in the mixture at its current temperature and pressure, in units of [N^0.25*m^2.75/mol].

P = \frac{\sigma^{0.25} MW}{\rho_L - \rho_V}

Calculated based on surface tension, density of the liquid and gas phase, and molecular weight. For uses of this property, see thermo.utils.Parachor.

Examples

>>> Mixture(['benzene', 'hexane'], ws=[0.5, 0.5], T=320).Parachors
[3.6795616000855504e-05, 4.82947303150274e-05]

property Pbubble¶

Bubble point pressure of the mixture at its current temperature and composition, in units of [Pa].

This property requires that the property package of the mixture found a solution to the given state variables.

property Pdew¶

Dew point pressure of the mixture at its current temperature and composition, in units of [Pa].

This property requires that the property package of the mixture found a solution to the given state variables.

Peclet_heat(V=None, D=None)[source]¶

property Pr¶

Prandtl number of the mixture at its current temperature, pressure, and phase; [dimensionless]. Available only if single phase.

Pr = \frac{C_p \mu}{k}

Examples

>>> Mixture(['acetone'], ws=[1]).Pr
4.183039103542711

property Prg¶

Prandtl number of the gas phase of the mixture if one exists at its current temperature and pressure, [dimensionless].

Pr = \frac{C_p \mu}{k}

Examples

>>> Mixture(['NH3'], ws=[1]).Prg
0.8472637319330079

property Prgs¶

Pure component Prandtl numbers of the gas phase of the chemicals in the mixture at its current temperature and pressure, [dimensionless].

Pr = \frac{C_p \mu}{k}

Examples

>>> Mixture(['benzene', 'hexane'], ws=[0.5, 0.5], T=320).Prgs
[0.7810364900059606, 0.784358381123896]

property Prl¶

Prandtl number of the liquid phase of the mixture if one exists at its current temperature and pressure, [dimensionless].

Pr = \frac{C_p \mu}{k}

Examples

>>> Mixture(['nitrogen'], ws=[1], T=70).Prl
2.782821450148889

property Prls¶

Pure component Prandtl numbers of the liquid phase of the chemicals in the mixture at its current temperature and pressure, [dimensionless].

Pr = \frac{C_p \mu}{k}

Examples

>>> Mixture(['benzene', 'hexane'], ws=[0.5, 0.5], T=320).Prls
[6.13542244155373, 5.034355147908088]

property Psats¶

Pure component vapor pressures of the chemicals in the mixture at its current temperature, in units of [Pa].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).Psats
[32029.25774454549, 10724.419010511821]

property PubChems¶

PubChem Component ID numbers for all chemicals in the mixture.

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5]).PubChems
[241, 1140]

property R_specific¶

Specific gas constant of the mixture, in units of [J/kg/K].

Examples

>>> Mixture(['N2', 'O2'], zs=[0.79, .21]).R_specific
288.1928437986195

Reynolds(V=None, D=None)[source]¶

property SG¶

Specific gravity of the mixture, [dimensionless].

For gas-phase conditions, this is calculated at 15.6 °C (60 °F) and 1 atm for the mixture and the reference fluid, air. For liquid and solid phase conditions, this is calculated based on a reference fluid of water at 4°C at 1 atm, but the with the liquid or solid mixture’s density at the currently specified conditions.

Examples

>>> Mixture('MTBE').SG
0.7428160596603596

property SGg¶

Specific gravity of a hypothetical gas phase of the mixture, . [dimensionless]. The reference condition is air at 15.6 °C (60 °F) and 1 atm (rho=1.223 kg/m^3). The definition for gases uses the compressibility factor of the reference gas and the mixture both at the reference conditions, not the conditions of the mixture.

Examples

>>> Mixture('argon').SGg
1.3800407778218216

property SGl¶

Specific gravity of a hypothetical liquid phase of the mixture at the specified temperature and pressure, [dimensionless]. The reference condition is water at 4 °C and 1 atm (rho=999.017 kg/m^3). For liquids, SG is defined that the reference chemical’s T and P are fixed, but the chemical itself varies with the specified T and P.

Examples

>>> Mixture('water', ws=[1], T=365).SGl
0.9650065522428539

property SGs¶: Specific gravity of a hypothetical solid phase of the mixture at the specified temperature and pressure, [dimensionless]. The reference condition is water at 4 °C and 1 atm (rho=999.017 kg/m^3). The SG varries with temperature and pressure but only very slightly.

T_default = 298.15¶

property Tbubble¶

Bubble point temperature of the mixture at its current pressure and composition, in units of [K].

This property requires that the property package of the mixture found a solution to the given state variables.

property Tdew¶

Dew point temperature of the mixture at its current pressure and composition, in units of [K].

This property requires that the property package of the mixture found a solution to the given state variables.

property U¶

Internal energy of the mixture at its current state, in units of [J/kg].

This property requires that the property package of the mixture found a solution to the given state variables. It also depends on the molar volume of the mixture at its current conditions.

property UNIFAC_Dortmund_groups¶

List of dictionaries of Dortmund UNIFAC subgroup: count groups for each chemcial in the mixture. Uses the Dortmund UNIFAC subgroups, as determined by DDBST’s online service.

Examples

>>> Mixture(['1-pentanol', 'decane'], ws=[0.5, 0.5]).UNIFAC_Dortmund_groups
[{1: 1, 2: 4, 14: 1}, {1: 2, 2: 8}]

property UNIFAC_Qs¶

UNIFAC Q (normalized Van der Waals area) values, dimensionless. Used in the UNIFAC model.

Examples

>>> Mixture(['o-xylene', 'decane'], zs=[.5, .5]).UNIFAC_Qs
[3.536, 6.016]

property UNIFAC_Rs¶

UNIFAC R (normalized Van der Waals volume) values, dimensionless. Used in the UNIFAC model.

Examples

>>> Mixture(['o-xylene', 'm-xylene'], zs=[.5, .5]).UNIFAC_Rs
[4.6578, 4.6578]

property UNIFAC_groups¶

List of dictionaries of UNIFAC subgroup: count groups for each chemical in the mixture. Uses the original UNIFAC subgroups, as determined by DDBST’s online service.

Examples

>>> Mixture(['1-pentanol', 'decane'], ws=[0.5, 0.5]).UNIFAC_groups
[{1: 1, 2: 4, 14: 1}, {1: 2, 2: 8}]

property Um¶

Internal energy of the mixture at its current state, in units of [J/mol].

This property requires that the property package of the mixture found a solution to the given state variables. It also depends on the molar volume of the mixture at its current conditions.

V_over_F = None¶

property Van_der_Waals_areas¶

List of unnormalized Van der Waals areas of all the chemicals in the mixture, in units of [m^2/mol].

Examples

>>> Mixture(['1-pentanol', 'decane'], ws=[0.5, 0.5]).Van_der_Waals_areas
[1052000.0, 1504000.0]

property Van_der_Waals_volumes¶

List of unnormalized Van der Waals volumes of all the chemicals in the mixture, in units of [m^3/mol].

Examples

>>> Mixture(['1-pentanol', 'decane'], ws=[0.5, 0.5]).Van_der_Waals_volumes
[6.9762279e-05, 0.00010918455800000001]

Vfgs(T=None, P=None)[source]¶

Volume fractions of all species in a hypothetical pure-gas phase at the current or specified temperature and pressure. If temperature or pressure are specified, the non-specified property is assumed to be that of the mixture. Note this is a method, not a property. Volume fractions are calculated based on pure species volumes only.

Examples

>>> Mixture(['sulfur hexafluoride', 'methane'], zs=[.2, .9], T=315).Vfgs()
[0.18062059238682632, 0.8193794076131737]

>>> S = Mixture(['sulfur hexafluoride', 'methane'], zs=[.1, .9])
>>> S.Vfgs(P=1E2)
[0.0999987466608421, 0.9000012533391578]

Vfls(T=None, P=None)[source]¶

Volume fractions of all species in a hypothetical pure-liquid phase at the current or specified temperature and pressure. If temperature or pressure are specified, the non-specified property is assumed to be that of the mixture. Note this is a method, not a property. Volume fractions are calculated based on pure species volumes only.

Examples

>>> Mixture(['hexane', 'pentane'], zs=[.5, .5], T=315).Vfls()
[0.5299671144566751, 0.47003288554332484]

>>> S = Mixture(['hexane', 'decane'], zs=[0.25, 0.75])
>>> S.Vfls(298.16, 101326)
[0.18301434895886864, 0.8169856510411313]

property Vm¶

Molar volume of the mixture at its current phase and temperature and pressure, in units of [m^3/mol]. Available only if single phase.

Examples

>>> Mixture(['ethylbenzene'], ws=[1], T=550, P=3E6).Vm
0.00017758024401627633

property Vmg¶

Gas-phase molar volume of the mixture at its current temperature, pressure, and composition in units of [m^3/mol]. For calculation of this property at other temperatures or pressures or compositions, or specifying manually the method used to calculate it, and more - see the object oriented interface thermo.volume.VolumeGasMixture; each Mixture instance creates one to actually perform the calculations.

Examples

>>> Mixture(['hexane'], ws=[1], T=300, P=2E5).Vmg
0.010888694235142216

property Vmg_STP¶

Gas-phase molar volume of the mixture at 298.15 K and 101.325 kPa, and the current composition in units of [m^3/mol].

Examples

>>> Mixture(['nitrogen'], ws=[1]).Vmg_STP
0.02445443688838904

property Vmgs¶

Pure component gas-phase molar volumes of the chemicals in the mixture at its current temperature and pressure, in units of [m^3/mol].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).Vmgs
[0.024929001982294974, 0.024150186467130488]

property Vml¶

Liquid-phase molar volume of the mixture at its current temperature, pressure, and composition in units of [m^3/mol]. For calculation of this property at other temperatures or pressures or compositions, or specifying manually the method used to calculate it, and more - see the object oriented interface thermo.volume.VolumeLiquidMixture; each Mixture instance creates one to actually perform the calculations.

Examples

>>> Mixture(['cyclobutane'], ws=[1], T=225).Vml
7.42395423425395e-05

property Vml_STP¶

Liquid-phase molar volume of the mixture at 298.15 K and 101.325 kPa, and the current composition in units of [m^3/mol].

Examples

>>> Mixture(['cyclobutane'], ws=[1]).Vml_STP
8.143327329133706e-05

property Vmls¶

Pure component liquid-phase molar volumes of the chemicals in the mixture at its current temperature and pressure, in units of [m^3/mol].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).Vmls
[9.188896727673715e-05, 0.00010946199496993461]

Vms = None¶

property Vmss¶

Pure component solid-phase molar volumes of the chemicals in the mixture at its current temperature, in units of [m^3/mol].

Examples

>>> Mixture(['iron'], ws=[1], T=320).Vmss
[7.09593392630242e-06]

Weber(V=None, D=None)[source]¶

property Z¶

Compressibility factor of the mixture at its current phase and temperature and pressure, [dimensionless]. Available only if single phase.

Examples

>>> Mixture(['MTBE'], ws=[1], T=900, P=1E-2).Z
0.9999999999056374

property Zg¶

Compressibility factor of the mixture in the gas phase at the current temperature, pressure, and composition, [dimensionless].

Utilizes the object oriented interface and thermo.volume.VolumeGasMixture to perform the actual calculation of molar volume.

Examples

>>> Mixture(['hexane'], ws=[1], T=300, P=1E5).Zg
0.9403859376888885

property Zg_STP¶

Gas-phase compressibility factor of the mixture at 298.15 K and 101.325 kPa, and the current composition, [dimensionless].

Examples

>>> Mixture(['nitrogen'], ws=[1]).Zg_STP
0.9995520809691023

property Zgs¶

Pure component compressibility factors of the chemicals in the mixture in the gas phase at the current temperature and pressure, [dimensionless].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).Zgs
[0.9493743379816593, 0.9197146081359057]

property Zl¶

Compressibility factor of the mixture in the liquid phase at the current temperature, pressure, and composition, [dimensionless].

Utilizes the object oriented interface and thermo.volume.VolumeLiquidMixture to perform the actual calculation of molar volume.

Examples

>>> Mixture(['water'], ws=[1]).Zl
0.0007385375470263454

property Zl_STP¶

Liquid-phase compressibility factor of the mixture at 298.15 K and 101.325 kPa, and the current composition, [dimensionless].

Examples

>>> Mixture(['cyclobutane'], ws=[1]).Zl_STP
0.0033285083663950068

property Zls¶

Pure component compressibility factors of the chemicals in the liquid phase at the current temperature and pressure, [dimensionless].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).Zls
[0.0034994191720201235, 0.004168655010037687]

property Zss¶

Pure component compressibility factors of the chemicals in the mixture in the solid phase at the current temperature and pressure, [dimensionless].

Examples

>>> Mixture(['palladium'], ws=[1]).Zss
[0.00036248477437931853]

property alpha¶

Thermal diffusivity of the mixture at its current temperature, pressure, and phase in units of [m^2/s]. Available only if single phase.

\alpha = \frac{k}{\rho Cp}

Examples

>>> Mixture(['furfural'], ws=[1]).alpha
8.696537158635412e-08

property alphag¶

Thermal diffusivity of the gas phase of the mixture if one exists at its current temperature and pressure, in units of [m^2/s].

\alpha = \frac{k}{\rho Cp}

Examples

>>> Mixture(['ammonia'], ws=[1]).alphag
1.6968517002221566e-05

property alphags¶

Pure component thermal diffusivities of the chemicals in the mixture in the gas phase at the current temperature and pressure, in units of [m^2/s].

\alpha = \frac{k}{\rho Cp}

Examples

>>> Mixture(['benzene', 'hexane'], ws=[0.5, 0.5], T=320).alphags
[3.3028044028118324e-06, 2.4412958544059014e-06]

property alphal¶

Thermal diffusivity of the liquid phase of the mixture if one exists at its current temperature and pressure, in units of [m^2/s].

\alpha = \frac{k}{\rho Cp}

Examples

>>> Mixture(['nitrogen'], ws=[1], T=70).alphal
9.444949636299626e-08

property alphals¶

Pure component thermal diffusivities of the chemicals in the mixture in the liquid phase at the current temperature and pressure, in units of [m^2/s].

\alpha = \frac{k}{\rho Cp}

Examples

>>> Mixture(['benzene', 'hexane'], ws=[0.5, 0.5], T=320).alphals
[8.732683564481583e-08, 7.57355434073289e-08]

property atom_fractions¶

Dictionary of atomic fractions for each atom in the mixture.

Examples

>>> Mixture(['CO2', 'O2'], zs=[0.5, 0.5]).atom_fractions
{'C': 0.2, 'O': 0.8}

property atom_fractionss¶

List of dictionaries of atomic fractions for all chemicals in the mixture.

Examples

>>> Mixture(['oxygen', 'nitrogen'], zs=[.5, .5]).atom_fractionss
[{'O': 1.0}, {'N': 1.0}]

property atoms¶

Mole-averaged dictionary of atom counts for all atoms of the chemicals in the mixture.

Examples

>>> Mixture(['nitrogen', 'oxygen'], zs=[.01, .99]).atoms
{'O': 1.98, 'N': 0.02}

property atomss¶

List of dictionaries of atom counts for all chemicals in the mixture.

Examples

>>> Mixture(['nitrogen', 'oxygen'], zs=[.01, .99]).atomss
[{'N': 2}, {'O': 2}]

autoflash = True¶

property charge_balance¶

Charge imbalance of the mixture, in units of [faraday]. Mixtures meeting the electroneutrality condition will have an imbalance of 0.

Examples

>>> Mixture(['Na+', 'Cl-', 'water'], zs=[.01, .01, .98]).charge_balance
0.0

property charges¶

Charges for all chemicals in the mixture, [faraday].

Examples

>>> Mixture(['water', 'sodium ion', 'chloride ion'], zs=[.9, .05, .05]).charges
[0, 1, -1]

compound_index(CAS)[source]¶

conductivity = None¶

property constants¶: Returns a thermo.chemical_package.ChemicalConstantsPackage instance with constants from the mixture, [-].

draw_2d(Hs=False)[source]¶

Interface for drawing a 2D image of all the molecules in the mixture. Requires an HTML5 browser, and the libraries RDKit and IPython. An exception is raised if either of these libraries is absent.

Parameters:

Hsbool: Whether or not to show hydrogen

Examples

Mixture([‘natural gas’]).draw_2d()

property economic_statuses¶

List of dictionaries of the economic status for all chemicals in the mixture.

Examples

>>> Mixture(['o-xylene', 'm-xylene'], zs=[.5, .5]).economic_statuses
[["US public: {'Manufactured': 0.0, 'Imported': 0.0, 'Exported': 0.0}",
  u'100,000 - 1,000,000 tonnes per annum',
  'OECD HPV Chemicals'],
 ["US public: {'Manufactured': 39.805, 'Imported': 0.0, 'Exported': 0.0}",
  u'100,000 - 1,000,000 tonnes per annum',
  'OECD HPV Chemicals']]

property eos¶: Equation of state object held by the mixture. See : obj:thermo.eos_mix for a full listing.

eos_in_a_box = []¶

eos_pures(eos=<class 'thermo.eos.PR'>, T=None, P=None)[source]¶

flash_caloric(T=None, P=None, VF=None, Hm=None, Sm=None, H=None, S=None)[source]¶

flashed = True¶

property formulas¶

Chemical formulas for all chemicals in the mixture.

Examples

>>> Mixture(['ethanol', 'trichloroethylene', 'furfuryl alcohol'],
... ws=[0.5, 0.2, 0.3]).formulas
['C2H6O', 'C2HCl3', 'C5H6O2']

property isentropic_exponent¶

Gas-phase ideal-gas isentropic exponent of the mixture at its current temperature, [dimensionless]. Does not include pressure-compensation from an equation of state.

Examples

>>> Mixture(['hydrogen'], ws=[1]).isentropic_exponent
1.405237786321222

property isentropic_exponents¶

Gas-phase pure component ideal-gas isentropic exponent of the chemicals in the mixture at its current temperature, [dimensionless]. Does not include pressure-compensation from an equation of state.

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).isentropic_exponents
[1.1023398979313739, 1.080418846592871]

property isobaric_expansion¶

Isobaric (constant-pressure) expansion of the mixture at its current phase, temperature, and pressure in units of [1/K]. Available only if single phase.

\beta = \frac{1}{V}\left(\frac{\partial V}{\partial T} \right)_P

Examples

>>> Mixture(['water'], ws=[1], T=647.1, P=22048320.0).isobaric_expansion
0.34074205839222449

property isobaric_expansion_g¶

Isobaric (constant-pressure) expansion of the gas phase of the mixture at its current temperature and pressure, in units of [1/K]. Available only if single phase.

\beta = \frac{1}{V}\left(\frac{\partial V}{\partial T} \right)_P

Examples

>>> Mixture(['argon'], ws=[1], T=647.1, P=22048320.0).isobaric_expansion_g
0.0015661100323025273

property isobaric_expansion_gs¶

Pure component isobaric (constant-pressure) expansions of the chemicals in the mixture in the gas phase at its current temperature and pressure, in units of [1/K].

\beta = \frac{1}{V}\left(\frac{\partial V}{\partial T} \right)_P

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).isobaric_expansion_gs
[0.0038091518363900499, 0.0043556759306508453]

property isobaric_expansion_l¶

Isobaric (constant-pressure) expansion of the liquid phase of the mixture at its current temperature and pressure, in units of [1/K]. Available only if single phase.

\beta = \frac{1}{V}\left(\frac{\partial V}{\partial T} \right)_P

Examples

>>> Mixture(['argon'], ws=[1], T=647.1, P=22048320.0).isobaric_expansion_l
0.001859152875154442

property isobaric_expansion_ls¶

Pure component isobaric (constant-pressure) expansions of the chemicals in the mixture in the liquid phase at its current temperature and pressure, in units of [1/K].

\beta = \frac{1}{V}\left(\frac{\partial V}{\partial T} \right)_P

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).isobaric_expansion_ls
[0.0012736035771253886, 0.0011234157437069571]

property k¶

Thermal conductivity of the mixture at its current phase, temperature, and pressure in units of [W/m/K]. Available only if single phase.

Examples

>>> Mixture(['ethanol'], ws=[1], T=300).kl
0.16313594741877802

property kg¶

Thermal conductivity of the mixture in the gas phase at its current temperature, pressure, and composition in units of [Pa*s].

For calculation of this property at other temperatures and pressures, or specifying manually the method used to calculate it, and more - see the object oriented interface thermo.thermal_conductivity.ThermalConductivityGasMixture; each Mixture instance creates one to actually perform the calculations.

Examples

>>> Mixture(['water'], ws=[1], T=500).kg
0.036035173297862676

property kgs¶

Pure component thermal conductivies of the chemicals in the mixture in the gas phase at its current temperature and pressure, in units of [W/m/K].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).kgs
[0.011865404482987936, 0.010981336502491088]

property kl¶

Thermal conductivity of the mixture in the liquid phase at its current temperature, pressure, and composition in units of [Pa*s].

For calculation of this property at other temperatures and pressures, or specifying manually the method used to calculate it, and more - see the object oriented interface thermo.thermal_conductivity.ThermalConductivityLiquidMixture; each Mixture instance creates one to actually perform the calculations.

Examples

>>> Mixture(['water'], ws=[1], T=320).kl
0.6369957248212118

property kls¶

Pure component thermal conductivities of the chemicals in the mixture in the liquid phase at its current temperature and pressure, in units of [W/m/K].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).kls
[0.13391538485205587, 0.12429339088930591]

ks = None¶

property legal_statuses¶

List of dictionaries of the legal status for all chemicals in the mixture.

Examples

>>> Mixture(['oxygen', 'nitrogen'], zs=[.5, .5]).legal_statuses
[{'DSL': 'LISTED',
  'EINECS': 'LISTED',
  'NLP': 'UNLISTED',
  'SPIN': 'LISTED',
  'TSCA': 'LISTED'},
 {'DSL': 'LISTED',
  'EINECS': 'LISTED',
  'NLP': 'UNLISTED',
  'SPIN': 'LISTED',
  'TSCA': 'LISTED'}]

property mass_fractions¶

Dictionary of mass fractions for each atom in the mixture.

Examples

>>> Mixture(['CO2', 'O2'], zs=[0.5, 0.5]).mass_fractions
{'C': 0.15801826905745822, 'O': 0.8419817309425419}

property mass_fractionss¶

List of dictionaries of mass fractions for all chemicals in the mixture.

Examples

>>> Mixture(['oxygen', 'nitrogen'], zs=[.5, .5]).mass_fractionss
[{'O': 1.0}, {'N': 1.0}]

property mu¶

Viscosity of the mixture at its current phase, temperature, and pressure in units of [Pa*s]. Available only if single phase.

Examples

>>> Mixture(['ethanol'], ws=[1], T=400).mu
1.1853097849748213e-05

property mug¶

Viscosity of the mixture in the gas phase at its current temperature, pressure, and composition in units of [Pa*s].

For calculation of this property at other temperatures and pressures, or specifying manually the method used to calculate it, and more - see the object oriented interface thermo.viscosity.ViscosityGasMixture; each Mixture instance creates one to actually perform the calculations.

Examples

>>> Mixture(['water'], ws=[1], T=500).mug
1.7298722343367148e-05

property mugs¶

Pure component viscosities of the chemicals in the mixture in the gas phase at its current temperature and pressure, in units of [Pa*s].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).mugs
[8.082880451060605e-06, 7.442602145854158e-06]

property mul¶

Viscosity of the mixture in the liquid phase at its current temperature, pressure, and composition in units of [Pa*s].

For calculation of this property at other temperatures and pressures, or specifying manually the method used to calculate it, and more - see the object oriented interface thermo.viscosity.ViscosityLiquidMixture; each Mixture instance creates one to actually perform the calculations.

Examples

>>> Mixture(['water'], ws=[1], T=320).mul
0.0005767262693751547

property muls¶

Pure component viscosities of the chemicals in the mixture in the liquid phase at its current temperature and pressure, in units of [Pa*s].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).muls
[0.00045545522798131764, 0.00043274394349114754]

property nu¶

Kinematic viscosity of the the mixture at its current temperature, pressure, and phase in units of [m^2/s]. Available only if single phase.

\nu = \frac{\mu}{\rho}

Examples

>>> Mixture(['argon'], ws=[1]).nu
1.3842643382482236e-05

property nug¶

Kinematic viscosity of the gas phase of the mixture if one exists at its current temperature and pressure, in units of [m^2/s].

\nu = \frac{\mu}{\rho}

Examples

>>> Mixture(['methane'], ws=[1], T=115).nug
2.5118460023343146e-06

property nugs¶

Pure component kinematic viscosities of the gas phase of the chemicals in the mixture at its current temperature and pressure, in units of [m^2/s].

\nu = \frac{\mu}{\rho}

Examples

>>> Mixture(['benzene', 'hexane'], ws=[0.5, 0.5], T=320).nugs
[5.357870271650772e-07, 3.8127962283230277e-07]

property nul¶

Kinematic viscosity of the liquid phase of the mixture if one exists at its current temperature and pressure, in units of [m^2/s].

\nu = \frac{\mu}{\rho}

Examples

>>> Mixture(['methane'], ws=[1], T=110).nul
2.858088468937333e-07

property nuls¶

Pure component kinematic viscosities of the liquid phase of the chemicals in the mixture at its current temperature and pressure, in units of [m^2/s].

\nu = \frac{\mu}{\rho}

Examples

>>> Mixture(['benzene', 'hexane'], ws=[0.5, 0.5], T=320).nuls
[5.357870271650772e-07, 3.8127962283230277e-07]

property permittivites¶

Pure component relative permittivities of the chemicals in the mixture at its current temperature, [dimensionless].

Examples

>>> Mixture(['benzene', 'hexane'], ws=[0.5, 0.5], T=320).permittivites
[2.23133472, 1.8508128]

phase = None¶

properties(copy_pures=True, copy_mixtures=True)[source]¶

property rho¶

Mass density of the mixture at its current phase and temperature and pressure, in units of [kg/m^3]. Available only if single phase.

Examples

>>> Mixture(['decane'], ws=[1], T=550, P=2E6).rho
498.67008448640604

property rhog¶

Gas-phase mass density of the mixture at its current temperature, pressure, and composition in units of [kg/m^3]. For calculation of this property at other temperatures, pressures, or compositions or specifying manually the method used to calculate it, and more - see the object oriented interface thermo.volume.VolumeGasMixture; each Mixture instance creates one to actually perform the calculations. Note that that interface provides output in molar units.

Examples

>>> Mixture(['hexane'], ws=[1], T=300, P=2E5).rhog
7.914447603999089

property rhog_STP¶

Gas-phase mass density of the mixture at 298.15 K and 101.325 kPa, and the current composition in units of [kg/m^3].

Examples

>>> Mixture(['nitrogen'], ws=[1]).rhog_STP
1.145534453639403

property rhogm¶

Molar density of the mixture in the gas phase at the current temperature, pressure, and composition in units of [mol/m^3].

Utilizes the object oriented interface and thermo.volume.VolumeGasMixture to perform the actual calculation of molar volume.

Examples

>>> Mixture(['water'], ws=[1], T=500).rhogm
24.467426039789093

property rhogm_STP¶

Molar density of the mixture in the gas phase at 298.15 K and 101.325 kPa, and the current composition, in units of [mol/m^3].

Examples

>>> Mixture(['nitrogen'], ws=[1]).rhogm_STP
40.892374850585895

property rhogms¶

Pure component molar densities of the chemicals in the gas phase at the current temperature and pressure, in units of [mol/m^3].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).rhogms
[40.11392035309789, 41.407547778608084]

property rhogs¶

Pure-component gas-phase mass densities of the chemicals in the mixture at its current temperature and pressure, in units of [kg/m^3].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).rhogs
[3.1333721283939258, 3.8152260283954584]

property rhol¶

Liquid-phase mass density of the mixture at its current temperature, pressure, and composition in units of [kg/m^3]. For calculation of this property at other temperatures, pressures, compositions or specifying manually the method used to calculate it, and more - see the object oriented interface thermo.volume.VolumeLiquidMixture; each Mixture instance creates one to actually perform the calculations. Note that that interface provides output in molar units.

Examples

>>> Mixture(['o-xylene'], ws=[1], T=297).rhol
876.9946785618097

property rhol_STP¶

Liquid-phase mass density of the mixture at 298.15 K and 101.325 kPa, and the current composition in units of [kg/m^3].

Examples

>>> Mixture(['cyclobutane'], ws=[1]).rhol_STP
688.9851989526821

property rholm¶

Molar density of the mixture in the liquid phase at the current temperature, pressure, and composition in units of [mol/m^3].

Utilizes the object oriented interface and thermo.volume.VolumeLiquidMixture to perform the actual calculation of molar volume.

Examples

>>> Mixture(['water'], ws=[1], T=300).rholm
55317.352773503124

property rholm_STP¶

Molar density of the mixture in the liquid phase at 298.15 K and 101.325 kPa, and the current composition, in units of [mol/m^3].

Examples

>>> Mixture(['water'], ws=[1]).rholm_STP
55344.59086372442

property rholms¶

Pure component molar densities of the chemicals in the mixture in the liquid phase at the current temperature and pressure, in units of [mol/m^3].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).rholms
[10882.699301520635, 9135.590853014008]

property rhols¶

Pure-component liquid-phase mass density of the chemicals in the mixture at its current temperature and pressure, in units of [kg/m^3].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).rhols
[850.0676666084917, 841.7389069631628]

property rhom¶

Molar density of the mixture at its current phase and temperature and pressure, in units of [mol/m^3]. Available only if single phase.

Examples

>>> Mixture(['1-hexanol'], ws=[1]).rhom
7983.414573003429

rhos = None¶

property rhosms¶

Pure component molar densities of the chemicals in the solid phase at the current temperature and pressure, in units of [mol/m^3].

Examples

>>> Mixture(['iron'], ws=[1], T=320).rhosms
[140925.7767033753]

property rhoss¶

Pure component solid-phase mass density of the chemicals in the mixture at its current temperature, in units of [kg/m^3].

Examples

>>> Mixture(['iron'], ws=[1], T=320).rhoss
[7869.999999999994]

property ringss¶

List of ring counts for all chemicals in the mixture.

Examples

>>> Mixture(['Docetaxel', 'Paclitaxel'], zs=[.5, .5]).ringss
[6, 7]

set_Chemical_property_objects()[source]¶

set_TP_sources()[source]¶

set_chemical_TP(T=None, P=None)[source]¶: Basic method to change all chemical instances to be at the T and P specified. If they are not specified, the the values of the mixture will be used. This is not necessary for using the Mixture instance unless values specified to chemicals are required.

set_chemical_constants()[source]¶: Basic method which retrieves and sets constants of chemicals to be accessible as lists from a Mixture object. This gets called automatically on the instantiation of a new Mixture instance.

set_constant_sources()[source]¶

set_constants()[source]¶

set_eos(T, P, eos=<class 'thermo.eos_mix.PRMIX'>)[source]¶

set_property_package(pkg=None)[source]¶

property sigma¶

Surface tension of the mixture at its current temperature and composition, in units of [N/m].

For calculation of this property at other temperatures, or specifying manually the method used to calculate it, and more - see the object oriented interface thermo.interface.SurfaceTensionMixture; each Mixture instance creates one to actually perform the calculations.

Examples

>>> Mixture(['water'], ws=[1], T=300, P=1E5).sigma
0.07176932405246211

property sigmas¶

Pure component surface tensions of the chemicals in the mixture at its current temperature, in units of [N/m].

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5], T=320).sigmas
[0.02533469712937521, 0.025254723406585546]

property similarity_variables¶

Similarity variables for all chemicals in the mixture, see chemicals.elements.similarity_variable for the definition, [mol/g]

Examples

>>> Mixture(['benzene', 'toluene'], ws=[0.5, 0.5]).similarity_variables
[0.15362587797189262, 0.16279853724428964]

property smiless¶

SMILES strings for all chemicals in the mixture.

Examples

>>> Mixture(['methane', 'ethane', 'propane', 'butane'],
... zs=[0.25, 0.25, 0.25, 0.25]).smiless
['C', 'CC', 'CCC', 'CCCC']

property solubility_parameters¶

Pure component solubility parameters of the chemicals in the mixture at its current temperature and pressure, in units of [Pa^0.5].

\delta = \sqrt{\frac{\Delta H_{vap} - RT}{V_m}}

Examples

>>> Mixture(['benzene', 'hexane'], ws=[0.5, 0.5], T=320).solubility_parameters
[18062.51359608708, 14244.12852702228]

property speed_of_sound¶

Bulk speed of sound of the mixture at its current temperature, [m/s].

Examples

>>> Mixture(['toluene'], P=1E5, VF=0.5, ws=[1]).speed_of_sound
478.99527258140211

property speed_of_sound_g¶

Gas-phase speed of sound of the mixture at its current temperature, [m/s].

Examples

>>> Mixture(['nitrogen'], ws=[1]).speed_of_sound_g
351.77445481641661

property speed_of_sound_l¶

Liquid-phase speed of sound of the mixture at its current temperature, [m/s].

Examples

>>> Mixture(['toluene'], P=1E5, T=300, ws=[1]).speed_of_sound_l
1116.0852487852942

property synonymss¶

Lists of synonyms for all chemicals in the mixture.

Examples

>>> Mixture(['Tetradecene', 'Pentadecene'], zs=[.1, .9]).synonymss
[['tetradec-2-ene', 'tetradecene', '2-tetradecene', 'tetradec-2-ene', '26952-13-6', '35953-53-8', '1652-97-7'], ['pentadec-1-ene', '1-pentadecene', 'pentadecene,1-', 'pentadec-1-ene', '13360-61-7', 'pentadecene']]

xs = None¶

ys = None¶

Legacy Mixtures (thermo.mixture)¶

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