Valderrama

class lib.newComponent.valderrama.Valderrama(**kwargs)[source]

Bases: GroupContribution

Group contribution for definition of unknown component using the Valderrama procedure (2006). 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

M: float, optional

Molecular weight, [-]

Tbfloat, optional

Normal boiling temperature, [K]

SG: float, optional

Specific gravity, [-]

Methods

calculo()

Calculation procedure

Notes

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

Examples

Example from in [1] Table 8, phenantrene

>>> cmp = Valderrama(Tb=372.7, group=[30, 32], contribution=[10, 4])
>>> "%0.0f %0.1f %0.2f" % (cmp.Tc, cmp.Pc.bar, cmp.Vc.ccg*cmp.M)
'871 31.6 550.55'

2-methyl-1-pentanol

>>> cmp = Valderrama(Tb=401.85,
... group=[0, 1, 2, 10], contribution=[2, 3, 1, 1])
>>> "%0.0f %0.1f %0.2f" % (cmp.Tc, cmp.Pc.bar, cmp.Vc.ccg*cmp.M)
'602 33.5 381.53'
FirstOrder = 38
calculo()[source]

Calculation procedure

References