Components¶

add_V_from_rho¶

qsdsan.utils.add_V_from_rho(component, rho, rho_unit='kg/m3', add_model_to=None)¶

Add a constant molar volume model to the component with the given rho.

Parameters:

component (obj) – The component for which the molar volume model will be added.
rho (float) – Density of the component.
rho_unit (str) – Unit of the density rho.
add_model_to (str) – Which state this constant molar volume model should be added to. Can be “g”, “l”, or “s”.

Examples

>>> from qsdsan import Component
>>> from qsdsan.utils import add_V_from_rho
>>> P4O10 = Component('P4O10', phase='s', organic=False,
...                   particle_size='Particulate', degradability='Undegradable')
>>> add_V_from_rho(P4O10, 2.39, rho_unit='g/mL') # http://www.chemspider.com/Chemical-Structure.14128.html
>>> P4O10.V
VolumeSolid(CASRN="16752-60-6", MW=283.889048, extrapolation="linear", method="USER_METHOD")
>>> P4O10.V(330) 
0.0001187...

correct_param_with_T¶

qsdsan.utils.correct_param_with_T(k0, T0, T, theta)¶

Correct the coefficient value considering the temperature effect by:

\[k = k_0 * \theta^{T-T_0}\]

Parameters:

k0 (float) – Coefficient value at a certain temperature.
T0 (float) – Temperature for the known coefficient value.
T (float) – New temperature will the coefficient value will be calculated for.
theta – Temperature coefficient.

Examples

>>> # Correct the maximum specific growth rate for heterotrophs from 20 to 30°C
>>> from qsdsan.utils import correct_param_with_T
>>> mu_hat_30 = correct_param_with_T(k0=6, T0=20+273.15, T=30+273.15, theta=1.08)
>>> mu_hat_30 
12.95...

default_component_dict¶

qsdsan.utils.default_component_dict(dct={}, *, cmps, gas=None, soluble=None, solid=None)¶

Fill out a dict with default values of components based on its property (values already in the dict will NOT be updated).

Parameters:

dct (dict) – Dict to be updated with the default values.
g (value) – Default value for gas components (components in cmps.gases).
s (value) – Default value for soluble components (components NOT in cmps.gases nor cmps.solids).
x (value) – Default value for solid components (components in cmps.solids).

Examples

>>> from qsdsan import Components
>>> from qsdsan.utils import default_component_dict
>>> cmps = Components.load_default()
>>> split_dct = default_component_dict(dct={}, cmps=cmps, gas=1, soluble=0.95, solid=0)
>>> split_dct
{'S_H2': 1,
 'S_CH4': 1,
 'S_CH3OH': 0.95,
 'S_Ac': 0.95,
 'S_Prop': 0.95,
 'S_F': 0.95,
 'S_U_Inf': 0.95,
 'S_U_E': 0.95,
 'C_B_Subst': 0.95,
 'C_B_BAP': 0.95,
 'C_B_UAP': 0.95,
 'C_U_Inf': 0.95,
 'X_B_Subst': 0,
 'X_OHO_PHA': 0,
 'X_GAO_PHA': 0,
 'X_PAO_PHA': 0,
 'X_GAO_Gly': 0,
 'X_PAO_Gly': 0,
 'X_OHO': 0,
 'X_AOO': 0,
 'X_NOO': 0,
 'X_AMO': 0,
 'X_PAO': 0,
 'X_MEOLO': 0,
 'X_FO': 0,
 'X_ACO': 0,
 'X_HMO': 0,
 'X_PRO': 0,
 'X_U_Inf': 0,
 'X_U_OHO_E': 0,
 'X_U_PAO_E': 0,
 'X_Ig_ISS': 0,
 'X_MgCO3': 0,
 'X_CaCO3': 0,
 'X_MAP': 0,
 'X_HAP': 0,
 'X_HDP': 0,
 'X_FePO4': 0,
 'X_AlPO4': 0,
 'X_AlOH': 0,
 'X_FeOH': 0,
 'X_PAO_PP_Lo': 0,
 'X_PAO_PP_Hi': 0,
 'S_NH4': 0.95,
 'S_NO2': 0.95,
 'S_NO3': 0.95,
 'S_PO4': 0.95,
 'S_K': 0.95,
 'S_Ca': 0.95,
 'S_Mg': 0.95,
 'S_CO3': 0.95,
 'S_N2': 1,
 'S_O2': 1,
 'S_CAT': 0.95,
 'S_AN': 0.95,
 'H2O': 0.95}