Generation of hypotetical components

[fedebenelli]

On cases of complex mixtures where the true composition is unknown, like reservoir fluids, pseudocomponents are generated. These pseudo-components mimic the behaviour of a set of components as a single one, for example the pseudo-component $C_6$ encompass the set of components in a mixture that have a similar boiling point as n-hexane.

A method to generate a pseudo-component from a given property (or set of properties) could be useful to try contribution-based methods on those kinds of mixtures. Also, some generated components could be restricted, like being purely aliphatic or requiring $-OH$ groups.

Some usual properties that can be replicated are:

• Boiling point
• Critical constants
  • $T_c$
  • $P_c$
  • $\omega$

I'll gladly contribute to add these kind of generating methods.

[SalvadorBrandolin]

Hi Federico.

I don't know those techniques but could be a nice improvement to the library's capabilities.

The idea would be for example:

I have a mixture of the components:

• Hexane
• Butane
• Decane

And I have the groups and the properties of those individual components (Given or estimated by Joback)

The idea would be to seek a combination of groups that forms a pseudo-component that reproduces some mixture property.

Expand more on this idea, please.