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Module for importing thermodynamics functionality from CAPE-OPEN version 1.1 compliant thermodynamic servers (C) AmsterCHEM 2022
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| license |
Print license and license status or specify license number.
Keyword arguments:
licenseNumber -- license number. If not specified, license status is printed. |
| systems |
List available CAPE-OPEN thermodynamics systems. |
| unit_of_measure |
Returns the unit of measure for the given property.
Required arguments:
propertyname -- name of the property. |
| version |
Returns the version number of capeopen_thermo |
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A compound.
A Compound represents a single compound in package. It provides name, chemical formula, compound constant properties and temperature dependent properties.
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| cas_registry_number |
Chemical Abstracts registry number. |
| constant_properties |
Names of supported constants. |
| formula |
Chemical formula. |
| index |
Index in compound list. |
| molecular_weight |
Relative molecular mass. |
| name |
Compound name. |
| temperature_dependent_properties |
Names of supported temperature dependent properties. |
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| get_constant |
Get compound constant by name.
Required arguments:
name -- compound constant name.
Constant names are listed by constant_properties. |
| get_temperature_dependent_property |
Get one or more temperature dependent properties.
Required arguments:
properties -- a temperature dependent property name or list of temperature dependent property names.
t -- temperature [K].
Temperature dependent property names are listed by temperature_dependent_properties. |
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A thermodynamic and physical property package.
To calculate mixture properties, create a Phase object (directly or from a PhaseType).
To calculate phase equilibrium properties, create a PhaseEquilibrium object.
The compound member lists the compound in the package.
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| compounds |
Compounds. |
| constant_compound_properties |
Names of compound constants supported by the package. |
| name |
Package name. |
| phase_equilibrium_properties |
Names of properties supported by the package that may be used for phase equilibrium conditions. |
| phase_pair_properties |
Names of two phase properties supported by the package. |
| phase_properties |
Names of single phase properties supported by the package. |
| phase_types |
Descriptions of defined phases |
| temperature_dependent_compound_properties |
Names of compound temperature dependent properties supported by the package. |
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| create_liquid_phase |
Create a liquid phase.
Keyword arguments:
t -- temperature [K].
p -- pressure [Pa].
x -- composition [mol/mol]. |
| create_phase_equilibrium |
Calculate phase equilibrium.
Legacy calling method:
Required arguments:
x -- overall composition [mol/mol].
condition1 -- first condition name.
value1 -- value of first condition.
condition2 -- second condition name.
value2 -- value of second condition.
Keyword arguments:
solution_type -- solution type.
New calling method:
Keyword arguments:
flow_rate -- total molar flow rate [mol/s].
x -- composition [mol/mol]
t -- temperature [K]
p -- pressure [Pa]
vapor_fraction -- molar vapor fraction [mol/mol]
solution_type -- solution type for product flash
In addition to the above keywords, any property returned by phase_equilibrium_properties may be specified as keyword argument.
Valid conditions are listed in phase_equilibrium_properties.
Valid values for solution_type include "unspecified", "normal" and "retrograde". A solution_type should not be specified unless vaporFraction is one of the flash conditions. |
| create_phase_pair |
Create a phase pair.
Required arguments:
phase1 -- first Phase.
phase2 -- second Phase. |
| create_solid_phase |
Create a solid phase.
Keyword arguments:
t -- temperature [K].
p -- pressure [Pa].
x -- composition [mol/mol]. |
| create_vapor_phase |
Create a vapor phase.
Keyword arguments:
t -- temperature [K].
p -- pressure [Pa].
x -- composition [mol/mol]. |
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A Phase.
A Phase represents a mixture in a certain state of aggregation. It is defined by temperature, pressure and composition (mole fractions).
Once defined, it can be used for mixture property calculations. To calculate two-phase properties, first create a PhasePair.
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| excluded_compound |
Excluded compound, or empty. |
| key_compound |
Key compound, or empty. |
| name |
Phase name. |
| p |
Pressure [Pa]. |
| phase_fraction |
Phase fraction [mol/mol]. |
| properties |
Names of supported properties. |
| state_of_aggregation |
State of aggregation, vapor, liquid or solid (empty if unknown). |
| t |
Temperature [K]. |
| x |
Mole fraction [mol/mol]. |
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| get_property |
Calculate and one or more properties by name.
Required arguments:
properties -- specify one or more property names as string or list of strings.
Valid property names are listed in the properties member.
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| set |
Set conditions.
Keyword arguments:
t -- temperature [K].
p -- pressure [Pa].
x -- composition [mol/mol]. |
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A Phase Equilibrium.
A PhaseEquilibrium represents a set of phases at thermodynamic phase equilibrium.
Each of the phases is a Phase, populated with temperature, pressure, phase fraction and composition (mole fraction).
The PhaseEquilibrium itself provides overall properties.
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| p |
Pressure [Pa]. |
| phases |
Phases coexisting at thermodynamic phase equilibrium. |
| properties |
Names of supported properties. |
| t |
Temperature [K]. |
| vapor_fraction |
Fraction [mol/mol] of vapor phase, or 0 if vapor is not present. |
| x |
Overall composition [mol/mol]. |
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| get_property |
Calculate and one or more properties by name.
Required arguments:
properties -- specify one or more property names as string or list of strings.
Valid property names are listed in the properties member. |
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A pair of two distinct phases.
A PhasePair is a combination of two phases for calculation of two-phase properties.
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| phase1 |
First phase. |
| phase2 |
Second phase. |
| properties |
Names of supported properties. |
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| get_property |
Calculate and one or more properties by name.
Required arguments:
properties -- specify one or more property names as string or list of strings.
Valid property names are listed in the properties member. |
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A phase type.
A PhaseType describes the properties of a phase, prior to actually creating a Phase instance.
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| excluded_compound |
Excluded compound, or empty. |
| index |
Index in phase type list. |
| key_compound |
Key compound, or empty. |
| name |
Phase name. |
| properties |
Names of supported properties. |
| state_of_aggregation |
State of aggregation, vapor, liquid or solid (empty if unknown). |
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| create_phase |
Create a phase of this type.
Keyword arguments:
t -- temperature [K].
p -- pressure [Pa].
x -- composition [mol/mol]. |
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A manager for packages.
A Thermodynamic System is a software component from which a Package can be created.
To see which Package Systems are installed at your system, use capeopen_thermo.systems(). Then use any system name to create a System.
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| name |
Package system name. |
| package_names |
Names of packages provided by the package system. |
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| create_package |
Instantiate package with specified name.
Required arguments:
name -- package name.
Valid package names are listed by package_names. |
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