Phases classes

Documentation for the class objects creation are presented in this section [Highlighted in blue]. Documentation for methods called internally and not requiring user definition are ignored.

Single Phases

class PharmaPy.Phases.LiquidPhase(path_thermo=None, temp=298.15, pres=101325, mass=0, vol=0, moles=0, mass_frac=None, mole_frac=None, mass_conc=None, mole_conc=None, name_solv=None, verbose=True, check_input=True)

Bases: ThermoPhysicalManager

Creates a LiquidPhase object.

Parameters:

  • mass_frac (array-like (optional)) – mass fractions of the constituents of the phase.

  • mole_conc (array-like (optional)) – molar concentrations of the constituents of the phase, excluding the solvent

  • ind_solv (int) – index of solvent components in the liquid phase. It must be only specified if ‘mass_frac’ or ‘mole_frac’ are not given.

getActivityCoeff(method='ideal', mole_frac=None, temp=None)
getBubblePoint(pres=None, mass_frac=None, mole_frac=None, thermo_method='ideal', y_vap=False)
getBubblePressure(temp=None, mass_frac=None, mole_frac=None, thermo_method='ideal', y_vap=False)
getCp(temp=None, mass_frac=None, mole_frac=None, basis='mole')
getDensity(mass_frac=None, mole_frac=None, temp=None, basis='mass')
getEnthalpy(temp=None, temp_ref=298.15, mass_frac=None, mole_frac=None, total_h=True, basis='mass')
getProps(basis='mass')
getSurfTension(mass_frac=None, mole_frac=None, temp=None)
getSurfTensionPure(temp=None)
getViscosity(temp=None, mass_frac=None, mole_frac=None)
property name
updatePhase(mole_conc=None, mass_conc=None, mass_frac=None, mole_frac=None, vol=0, mass=0, moles=0, temp=None, pres=None)
class PharmaPy.Phases.SolidPhase(path_thermo, temp=298.15, temp_ref=298.15, pres=101325, mass=0, mass_frac=None, moments=None, num_mom=4, distrib=None, x_distrib=None, distrib_type='vol_perc', moisture=0, porosity=0, mole_conc=None, kv=1)

Bases: ThermoPhysicalManager

Parameters:

  • path_thermo (string) – Directory of the physical properties .json file

  • temp (float or array-like) – Temperature for enthalpy calculation in K.

  • temp_ref (float, optional) – Reference temperature for enthalpy calculation. The default is 298.15.

  • pres (float, optional) – Pressure in atmosphere of the system in pascals. The default is 101325.

  • mass (float, optional) – Mass of solids in kg. The default is 0.

  • mass_frac (array-like, optional) – Fraction of the species participating in the solid phase in mass basis. The default is None.

  • moments (array, optional) – Array of size N, containing the distribution moments in um**n, for n = 0,…,N - 1. The default is None.

  • num_mom (integer, optional) – Maximum order of moments describing solid phase. The default is 4.

  • x_distrib (array, optional) – Array of size N, containing the internal grid size coordinate of the solids [um]. The default is None

  • distrib (array, optional) – Array of size N, constaining the initial distribution of crystals [#/m**3/um]. The default is None.

  • distrib_type (string, optional) – Type of distribution of crystals. The option is ‘mass_frac’ or ‘vol_perc’. The default is ‘vol_perc’.

  • moisture (float, optional) – Initial moisture content of the solids. The default is 0.

  • porosity (float, optional) – Volume-based pore fraction out of the packed solid beds. The default is 0.

  • mole_conc (array-like, optional) – Concentration of the species participating in the solid phase in mole basis. The default is None.

  • kv (float, optional) – Volumetric shape factor of the solids. The default is 1.

Return type:

None.

convert_distribution(x_distrib=None, num_distr=None, vol_distr=None, mass=0)
getCp(temp=None, mass_frac=None, mole_frac=None, basis='mass')
getDensity(mass_frac=None, mole_frac=None, temp=None, basis='mass')
getDistribution(x_distrib, distrib)
getEnthalpy(temp=None, temp_ref=298.15, mass_frac=None, mole_frac=None, total_h=True, basis='mass')
getMoments(x_distrib=None, distrib=None, mom_num=None)
getPorosity(distrib=None, diam_filter=1, AR=None, sphericity=None)
property name
updatePhase(x_distrib=None, distrib=None, mass=None, moments=None)
class PharmaPy.Phases.VaporPhase(path_thermo=None, temp=298.15, pres=101325, mass=0, vol=0, moles=0, mass_frac=None, mole_frac=None, mole_conc=None, check_input=True, verbose=True)

Bases: ThermoPhysicalManager

AntoineEquation(temp=None, pres=None)
getCp(temp, mass_frac=None, mole_frac=None, basis='mass')
getDensity(pres_gas=None, temp_gas=None, phase='gas', basis='mole')
getDewPoint(pres=None, mass_frac=None, mole_frac=None, thermo_method='ideal', x_liq=False)
getEnthalpy(temp=None, temp_ref=298.15, mass_frac=None, mole_frac=None, total_h=True, basis='mass')

Calculate vapor phase enthalpy. It assumes that the reference state is a liquid at t_ref.

Parameters:

  • temp (float or array-like) – Temperature for enthalpy calculation in K.

  • temp_ref (float, optional) – Reference temperature for enthalpy calculation. The default is 298.15.

  • mass_frac (array-like, optional) – Fraction of the species participating in the vapor phase in mass. The default is None.

  • mole_frac (array-like, optional) – Fraction of the species participating in the vapor phase in mole. The default is None.

  • total_h (bool, optional) – If True, the total enthalpy is returned. If False, an array of individual enthalpy for each species is returned. he default is True.

Returns:

  • hvapMass (J/kg)

  • hvapMole (J/mol)

getHeatVaporization(temp, basis='mass')
getViscosity(temp=None, mass_frac=None, mole_frac=None)
property name
updatePhase(mole_conc=None, mass_conc=None, mass_frac=None, mole_frac=None, vol=0, mass=0, moles=0)
PharmaPy.Phases.classify_phases(instance, names=None)
PharmaPy.Phases.getPropsPhaseMix(phases, basis='mass')

Mixed Phases

Created on Tue Jun 16 15:43:14 2020

@author: dcasasor

class PharmaPy.MixedPhases.Cake(z_external=None, num_discr=50, saturation=None)

Bases: object

property Phases
getEnthalpy(temp=None, mass_frac=None, distrib=None)
get_alpha()
PharmaPy.MixedPhases.Interpolation(t_data, y_data, time)
class PharmaPy.MixedPhases.Slurry(vol=0, moments=None, x_distrib=None, distrib=None)

Bases: object

Create Slurry object.

Parameters:

  • vol (float, optional) – Volume of the Slurry [m**3]. The default is 0.

  • moments (array, optional) – Array of size N, containing the distribution moments in um**n, for n = 0,…,N - 1. The default is None.

  • mass_slurry (#) – DESCRIPTION. The default is 0.

  • x_distrib (array, optional) – Array of size N, containing the internal grid size coordinate of the solids [um]. The default is None

  • distrib (array, optional) – Array of size N, constaining the initial distribution of crystals [#/m**3/um]. The default is None.

Return type:

None.

property Phases
getCp(temp, volfracs=None, density=None, times_vliq=False, basis='mass')
getDensity(temp=None, basis='mass', total=False)
getEnthalpy(temp, volfracs=None, densMass=None, volumetric=True)
getFractions(distrib=None, mu_3=None, vol_basis=True)
getSolidsConcentr(distrib=None, basis='vol')
getTotalVol()
class PharmaPy.MixedPhases.SlurryStream(vol_flow=0, moments=None, x_distrib=None, distrib=None)

Bases: Slurry

Create a slurry stream object.

Parameters:

  • vol_flow (float, optional) – Volumetric flow rate in which the slurry is transfered [m**3/s]. The default is 0.

  • moments (array, optional) – Array of size N, containing the distribution moments in um**n, for n = 0,…,N - 1. The default is None.

  • x_distrib (array, optional) – Array of size N, containing the internal grid size coordinate of the solids [um]. The default is None

  • distrib (array, optional) – Array of size N, constaining the initial distribution of crystals [#/m**3/um]. The default is None.

Return type:

None.

InterpolateInputs(time)
property Phases
evaluate_inputs(time)
PharmaPy.MixedPhases.energy_balance(inst, mass_str)