Wilson

class lib.newComponent.wilson.Wilson(**kwargs)

Bases: GroupContribution

Group contribution for definition of unknown component using the Wilson-Jasperson procedure (1994). This method is able to calculate only critical temperature and pressure.

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

ringint

Ring in the atom, [-]

Tbfloat

Normal boiling temperature, [K]

Mfloat, optional

Molecular weight, [-]

SGfloat, optional

Specific gravity, [-]

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
isCalculable()	Procedure to define the status of input parameter

Notes

M and SG are optional input, anyway know them improve the estimation

Examples

Example 2-4 in [1], 2-ethylphenol critical properties

>>> c1 = Wilson(Tb=477.67, ring=1)
>>> c2 = Wilson(Tb=477.67, ring=1)
>>> c1(group=[3, 0, 5], contribution=[8, 10, 1])
>>> c2(group=[3, 0, 5, 42], contribution=[8, 10, 1, 1])
>>> "%0.1f %0.2f %0.1f" % (c1.Tc, c1.Pc.bar, c2.Tc)
'702.9 37.94 693.6'
>>> c1.formula
'C8H10O'

Example in pag 2-321 of [3], sec-butanol >>> cmp = Wilson(Tb=372.9, group=[0, 5, 3, 41], contribution=[10, 1, 4, 1]) >>> “%0.2f %0.2f” % (cmp.Tc, cmp.Pc.bar) ‘534.25 43.00’

kwargs = {'M': 0.0, 'SG': 0.0, 'Tb': 0.0, 'contribution': [], 'group': [], 'name': '', 'ring': 0}

FirstOrder = 41

SecondOrder = 54

isCalculable()

Procedure to define the status of input parameter

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

References

[1]

Poling, B.E, Prausnitz, J.M, O’Connell, J.P; The Properties of Gases and Liquids 5th Edition, McGraw-Hill, New York, 2001

[2]

Wilson, G.M. Jasperson, L.V.; Critical constants Tc and Pc, estimation based on zero, first and second order methods, Paper given at AIChE Spring National Meeting, New Orleans, LA, USA, February 25-29, 1996.

[3]

; Perry’s Chemical Engineers’ Handbook 9th Edition, McGraw-Hill (2019)