lbe_thermochemical Module

Module with the definition of the thermo-chemical property objects for lead-bismuth eutectic (lbe).

class OxygenPartialPressure

Oxygen partial pressure in liquid lbe divided by the Oxygen concentration in liquid lbe squared property class.

initialization_helper(property_value: float) → None | float

Returns the temperature guess value according to the value of the Oxygen partial pressure in liquid lbe divided by the Oxygen concentration in liquid lbe squared passed as argument. It is used by the root finder algorithm.

Parameters:

property_value (float) – oxygen partial pressure in liquid lbe divided by the oxygen concentration in liquid lbe squared in \([Pa /wt.\%^2]\)

Returns:

Temperature guess value in \([K]\)

Return type:

float

correlation(T: float, p: float = scipy.constants.atm, verbose: bool = False) → float

Returns the value of the Oxygen partial pressure in liquid lbe divided by the Oxygen concentration in liquid lbe squared by applying the property correlation.

Parameters:

• T (float) – Temperature in \([K]\)

• p (float, optional) – Pressure in \([Pa]\), by default the atmospheric pressure value, i.e., \(101325.0 Pa\)

• verbose (bool, optional) – True to tell the decorator to print a warning message in case of range check failing, False otherwise. By default, False

Returns:

Oxygen partial pressure divided by Oxygen concentration squared in \([Pa / wt.\%^2]\)

Return type:

float

property range: List[float]

Temperature validity range of the Oxygen partial pressure divided by the Oxygen concentration squared correlation function

Type:

List[float]

property description: str

Oxygen partial pressure in liquid lbe divided by the Oxygen concentration in liquid lbe squared description

Type:

str

property T_at_max: float

Temperature value corresponding to the maximum value of the property correlation function within the validity range

Type:

float

property T_at_min: float

Temperature value corresponding to the minimum value of the property correlation function within the validity range

Type:

float

compute_bounds() → None

Computes the bounds of the property within the validity range, i.e., the minimum and the maximum values of the correlation function inside the validity range, together with the corresponding temperature values. If this method is not invoked, the default values are -nan for the minimum value of the property and for its corresponding temperature, and nan for the maximum value of the property and for its corresponding temperature. The bounding values are computed using the scipy.optimize.minimize_scalar() function by adopting the “Bounded” method (for more details, please refer to the scipy documentation).

Return type:

None

property correlation_name: str

Name of the correlation

Type:

str

info(T: float, p: float = scipy.constants.atm, print_info: bool = True, n_tab: int = 0) → None | str

Prints the information about the property and about the correlation adopted to compute its value.

Parameters:

• T (float) – Temperature in \([K]\)

• p (float, optional) – Pressure in \([Pa]\), by default the atmospheric pressure value, i.e., \(101325.0 Pa\)

• print_info (bool, optional) – True to print to the console, False for getting the string. By default, True

• n_tab (int, optional) – Number of indentation tabs used to format the output, by default 0

Returns:

Returns None if print_info=True, otherwise returns the content of the information.

Return type:

None | str

property is_injective: bool

True if the correlation is injective, False otherwise

Type:

bool

property long_name: str

Oxygen partial pressure in liquid metal divided by the Oxygen concentration in liquid metal squared long name

Type:

str

property max: float

Maximum value of the property correlation function within the validity range

Type:

float

property min: float

Minimum value of the property correlation function within the validity range

Type:

float

property name: str

Name of the property

Type:

str

property units: str

Oxygen partial pressure in liquid metal divided by the Oxygen concentration in liquid metal squared unit

Type:

str

class LeadChemicalActivity

Lead chemical activity in liquid lbe property class.

correlation(T: float, p: float = scipy.constants.atm, verbose: bool = False) → float

Returns the value of the lead chemical activity in liquid lbe by applying the property correlation.

Parameters:

• T (float) – Temperature in \([K]\)

• p (float, optional) – Pressure in \([Pa]\), by default the atmospheric pressure value, i.e., \(101325.0 Pa\)

• verbose (bool, optional) – True to tell the decorator to print a warning message in case of range check failing, False otherwise. By default, False

Returns:

Lead chemical activity in \([-]\)

Return type:

float

property name: str

Name of the property

Type:

str

property units: str

Lead chemical activity unit

Type:

str

property correlation_name: str

Name of the correlation

Type:

str

property range: List[float]

Temperature validity range of the lead chemical activity correlation function

Type:

List[float]

property long_name: str

Lead chemical activity long name

Type:

str

property description: str

Lead chemical activity description

Type:

str

property T_at_max: float

Temperature value corresponding to the maximum value of the property correlation function within the validity range

Type:

float

property T_at_min: float

Temperature value corresponding to the minimum value of the property correlation function within the validity range

Type:

float

compute_bounds() → None

Computes the bounds of the property within the validity range, i.e., the minimum and the maximum values of the correlation function inside the validity range, together with the corresponding temperature values. If this method is not invoked, the default values are -nan for the minimum value of the property and for its corresponding temperature, and nan for the maximum value of the property and for its corresponding temperature. The bounding values are computed using the scipy.optimize.minimize_scalar() function by adopting the “Bounded” method (for more details, please refer to the scipy documentation).

Return type:

None

info(T: float, p: float = scipy.constants.atm, print_info: bool = True, n_tab: int = 0) → None | str

Prints the information about the property and about the correlation adopted to compute its value.

Parameters:

• T (float) – Temperature in \([K]\)

• p (float, optional) – Pressure in \([Pa]\), by default the atmospheric pressure value, i.e., \(101325.0 Pa\)

• print_info (bool, optional) – True to print to the console, False for getting the string. By default, True

• n_tab (int, optional) – Number of indentation tabs used to format the output, by default 0

Returns:

Returns None if print_info=True, otherwise returns the content of the information.

Return type:

None | str

initialization_helper(property_value: float) → float | None

Returns the temperature guess value according to the value of the property passed as argument. It is used by the root finder algorithm in case the return type is not None.

Parameters:

property_value (float) – value of the property

Return type:

None

property is_injective: bool

True if the correlation is injective, False otherwise

Type:

bool

property max: float

Maximum value of the property correlation function within the validity range

Type:

float

property min: float

Minimum value of the property correlation function within the validity range

Type:

float

class BismuthChemicalActivity

Bismuth chemical activity in liquid lbe property class.

correlation(T: float, p: float = scipy.constants.atm, verbose: bool = False) → float

Returns the value of the bismuth chemical activity in liquid lbe by applying the property correlation.

Parameters:

• T (float) – Temperature in \([K]\)

• p (float, optional) – Pressure in \([Pa]\), by default the atmospheric pressure value, i.e., \(101325.0 Pa\)

• verbose (bool, optional) – True to tell the decorator to print a warning message in case of range check failing, False otherwise. By default, False

Returns:

Bismuth chemical activity in \([-]\)

Return type:

float

property name: str

Name of the property

Type:

str

property units: str

Bismuth chemical activity unit

Type:

str

property correlation_name: str

Name of the correlation

Type:

str

property range: List[float]

Temperature validity range of the bismuth chemical activity correlation function

Type:

List[float]

property long_name: str

Bismuth chemical activity long name

Type:

str

property description: str

Bismuth chemical activity description

Type:

str

property T_at_max: float

Temperature value corresponding to the maximum value of the property correlation function within the validity range

Type:

float

property T_at_min: float

Temperature value corresponding to the minimum value of the property correlation function within the validity range

Type:

float

compute_bounds() → None

Computes the bounds of the property within the validity range, i.e., the minimum and the maximum values of the correlation function inside the validity range, together with the corresponding temperature values. If this method is not invoked, the default values are -nan for the minimum value of the property and for its corresponding temperature, and nan for the maximum value of the property and for its corresponding temperature. The bounding values are computed using the scipy.optimize.minimize_scalar() function by adopting the “Bounded” method (for more details, please refer to the scipy documentation).

Return type:

None

info(T: float, p: float = scipy.constants.atm, print_info: bool = True, n_tab: int = 0) → None | str

Prints the information about the property and about the correlation adopted to compute its value.

Parameters:

• T (float) – Temperature in \([K]\)

• p (float, optional) – Pressure in \([Pa]\), by default the atmospheric pressure value, i.e., \(101325.0 Pa\)

• print_info (bool, optional) – True to print to the console, False for getting the string. By default, True

• n_tab (int, optional) – Number of indentation tabs used to format the output, by default 0

Returns:

Returns None if print_info=True, otherwise returns the content of the information.

Return type:

None | str

initialization_helper(property_value: float) → float | None

Returns the temperature guess value according to the value of the property passed as argument. It is used by the root finder algorithm in case the return type is not None.

Parameters:

property_value (float) – value of the property

Return type:

None

property is_injective: bool

True if the correlation is injective, False otherwise

Type:

bool

property max: float

Maximum value of the property correlation function within the validity range

Type:

float

property min: float

Minimum value of the property correlation function within the validity range

Type:

float

class MolarEnthalpy

Liquid lbe molar enthalpy variation property class.

correlation(T: float, p: float = scipy.constants.atm, verbose: bool = False) → float

Returns the value of the molar enthalpy variation by applying the property correlation.

Parameters:

• T (float) – Temperature in \([K]\)

• p (float, optional) – Pressure in \([Pa]\), by default the atmospheric pressure value, i.e., \(101325.0 Pa\)

• verbose (bool, optional) – True to tell the decorator to print a warning message in case of range check failing, False otherwise. By default, False

Returns:

molar enthalpy in \([J/mol]\)

Return type:

float

property range: List[float]

Temperature validity range of the molar enthalpy variation correlation function

Type:

List[float]

property description: str

Molar enthalpy variation description

Type:

str

property T_at_max: float

Temperature value corresponding to the maximum value of the property correlation function within the validity range

Type:

float

property T_at_min: float

Temperature value corresponding to the minimum value of the property correlation function within the validity range

Type:

float

compute_bounds() → None

Computes the bounds of the property within the validity range, i.e., the minimum and the maximum values of the correlation function inside the validity range, together with the corresponding temperature values. If this method is not invoked, the default values are -nan for the minimum value of the property and for its corresponding temperature, and nan for the maximum value of the property and for its corresponding temperature. The bounding values are computed using the scipy.optimize.minimize_scalar() function by adopting the “Bounded” method (for more details, please refer to the scipy documentation).

Return type:

None

property correlation_name: str

Name of the correlation

Type:

str

info(T: float, p: float = scipy.constants.atm, print_info: bool = True, n_tab: int = 0) → None | str

Prints the information about the property and about the correlation adopted to compute its value.

Parameters:

• T (float) – Temperature in \([K]\)

• p (float, optional) – Pressure in \([Pa]\), by default the atmospheric pressure value, i.e., \(101325.0 Pa\)

• print_info (bool, optional) – True to print to the console, False for getting the string. By default, True

• n_tab (int, optional) – Number of indentation tabs used to format the output, by default 0

Returns:

Returns None if print_info=True, otherwise returns the content of the information.

Return type:

None | str

initialization_helper(property_value: float) → float | None

Returns the temperature guess value according to the value of the property passed as argument. It is used by the root finder algorithm in case the return type is not None.

Parameters:

property_value (float) – value of the property

Return type:

None

property is_injective: bool

True if the correlation is injective, False otherwise

Type:

bool

property long_name: str

Molar enthalpy variation long name

Type:

str

property max: float

Maximum value of the property correlation function within the validity range

Type:

float

property min: float

Minimum value of the property correlation function within the validity range

Type:

float

property name: str

Name of the property

Type:

str

property units: str

Molar enthalpy variation unit

Type:

str

class MolarEntropy

Liquid lbe molar entropy variation property class.

correlation(T: float, p: float = scipy.constants.atm, verbose: bool = False) → float

Returns the value of the molar entropy variation by applying the property correlation.

Parameters:

• T (float) – Temperature in \([K]\)

• p (float, optional) – Pressure in \([Pa]\), by default the atmospheric pressure value, i.e., \(101325.0 Pa\)

• verbose (bool, optional) – True to tell the decorator to print a warning message in case of range check failing, False otherwise. By default, False

Returns:

molar entropy in \([J/(mol \cdot K)]\)

Return type:

float

property range: List[float]

Temperature validity range of the molar entropy variation correlation function

Type:

List[float]

property description: str

Molar entropy variation description

Type:

str

property T_at_max: float

Temperature value corresponding to the maximum value of the property correlation function within the validity range

Type:

float

property T_at_min: float

Temperature value corresponding to the minimum value of the property correlation function within the validity range

Type:

float

compute_bounds() → None

Computes the bounds of the property within the validity range, i.e., the minimum and the maximum values of the correlation function inside the validity range, together with the corresponding temperature values. If this method is not invoked, the default values are -nan for the minimum value of the property and for its corresponding temperature, and nan for the maximum value of the property and for its corresponding temperature. The bounding values are computed using the scipy.optimize.minimize_scalar() function by adopting the “Bounded” method (for more details, please refer to the scipy documentation).

Return type:

None

property correlation_name: str

Name of the correlation

Type:

str

info(T: float, p: float = scipy.constants.atm, print_info: bool = True, n_tab: int = 0) → None | str

Prints the information about the property and about the correlation adopted to compute its value.

Parameters:

• T (float) – Temperature in \([K]\)

• p (float, optional) – Pressure in \([Pa]\), by default the atmospheric pressure value, i.e., \(101325.0 Pa\)

• print_info (bool, optional) – True to print to the console, False for getting the string. By default, True

• n_tab (int, optional) – Number of indentation tabs used to format the output, by default 0

Returns:

Returns None if print_info=True, otherwise returns the content of the information.

Return type:

None | str

initialization_helper(property_value: float) → float | None

Returns the temperature guess value according to the value of the property passed as argument. It is used by the root finder algorithm in case the return type is not None.

Parameters:

property_value (float) – value of the property

Return type:

None

property is_injective: bool

True if the correlation is injective, False otherwise

Type:

bool

property long_name: str

Molar entropy variation long name

Type:

str

property max: float

Maximum value of the property correlation function within the validity range

Type:

float

property min: float

Minimum value of the property correlation function within the validity range

Type:

float

property name: str

Name of the property

Type:

str

property units: str

Molar entropy variation unit

Type:

str

class GibbsFreeEnergy

Liquid lbe Gibbs free energy variation property class.

correlation(T: float, p: float = scipy.constants.atm, verbose: bool = False) → float

Returns the value of the Gibbs free energy variation by applying the property correlation.

Parameters:

• T (float) – Temperature in \([K]\)

• p (float, optional) – Pressure in \([Pa]\), by default the atmospheric pressure value, i.e., \(101325.0 Pa\)

• verbose (bool, optional) – True to tell the decorator to print a warning message in case of range check failing, False otherwise. By default, False

Returns:

Gibbs free energy in \([J/mol]\)

Return type:

float

property range: List[float]

Temperature validity range of the Gibbs free energy variation correlation function

Type:

List[float]

property description: str

Gibbs free energy description

Type:

str

property T_at_max: float

Temperature value corresponding to the maximum value of the property correlation function within the validity range

Type:

float

property T_at_min: float

Temperature value corresponding to the minimum value of the property correlation function within the validity range

Type:

float

compute_bounds() → None

Computes the bounds of the property within the validity range, i.e., the minimum and the maximum values of the correlation function inside the validity range, together with the corresponding temperature values. If this method is not invoked, the default values are -nan for the minimum value of the property and for its corresponding temperature, and nan for the maximum value of the property and for its corresponding temperature. The bounding values are computed using the scipy.optimize.minimize_scalar() function by adopting the “Bounded” method (for more details, please refer to the scipy documentation).

Return type:

None

property correlation_name: str

Name of the correlation

Type:

str

info(T: float, p: float = scipy.constants.atm, print_info: bool = True, n_tab: int = 0) → None | str

Prints the information about the property and about the correlation adopted to compute its value.

Parameters:

• T (float) – Temperature in \([K]\)

• p (float, optional) – Pressure in \([Pa]\), by default the atmospheric pressure value, i.e., \(101325.0 Pa\)

• print_info (bool, optional) – True to print to the console, False for getting the string. By default, True

• n_tab (int, optional) – Number of indentation tabs used to format the output, by default 0

Returns:

Returns None if print_info=True, otherwise returns the content of the information.

Return type:

None | str

initialization_helper(property_value: float) → float | None

Returns the temperature guess value according to the value of the property passed as argument. It is used by the root finder algorithm in case the return type is not None.

Parameters:

property_value (float) – value of the property

Return type:

None

property is_injective: bool

True if the correlation is injective, False otherwise

Type:

bool

property long_name: str

Gibbs free energy long name

Type:

str

property max: float

Maximum value of the property correlation function within the validity range

Type:

float

property min: float

Minimum value of the property correlation function within the validity range

Type:

float

property name: str

Name of the property

Type:

str

property units: str

Gibbs free energy unit

Type:

str