Klincewicz¶
- class lib.newComponent.klincewicz.Klincewicz(**kwargs)[source]¶
Bases:
GroupContributionGroup contribution for definition of unknown component using the Klincewicz-Reid procedure (1984). This method is able to calculate the critical properties.
The resulting instance has all the necessary properties to use in PFD as a predefined compound, using general properties for calculation of other mandatory properties don’t defined by the method.
- Parameters:
- grouparray
List with group index
- contributionfloat
List with group count ocurrences
- nogroupboolean
Use the simple correlation without group contribution
- Tbfloat
Normal boiling temperature, [K]
- Mfloat, optional
Molecular weight, [-]
- SGfloat, optional
Specific gravity, [-]
- atomsint, optional
Atoms count, [-]
Methods
calculo()Calculate procedure with common functionality and define the properties don't defined by the method The child class must implement the specific calculate procedure and call this method it is necessary to finish definition
Procedure to define the status of input parameter
Notes
M and SG are optional input, anyway know them improve the estimation. This method has a alternate not group contribution procedure known only Tb and M Na is only necessary if the nogroup opcion is enabled
Examples
Example in https://en.wikipedia.org/wiki/Klincewicz_method, acetone
>>> cmp = Klincewicz(Tb=329.25, group=[0, 18], contribution=[2, 1]) >>> "%0.2f %0.2f %0.2f" % (cmp.Tc, cmp.Pc.bar, cmp.Vc.ccg*cmp.M) '510.48 45.69 213.52'
Same example without group contribution
>>> cmp = Klincewicz(Tb=329.25, M=58.08, atoms=10, nogroup=True) >>> "%0.2f %0.4f %0.1f" % (cmp.Tc, cmp.Pc.bar, cmp.Vc.ccg*cmp.M) '505.15 52.9098 205.2'
- kwargs = {'M': 0.0, 'SG': 0.0, 'Tb': 0.0, 'atoms': 0, 'contribution': [], 'group': [], 'name': '', 'nogroup': False}¶
- FirstOrder = 40¶
