Hello verotxu,
You have asked a great - and difficult question, well done!
Unfortunately, I do not know of a single program whic does this, and if there was one, I would like to purchase it.
Because this question is so large, there are chemists that are building models for very small sections of each of these areas. For example, RICE University has a Joint Industry Practice group that works with the equilibrium with scaling that was originally in a liquid-liquid form. There are literally thousands of different versions and combinations of liquid-liquid equilibria and there are thousands of ways to apply this information in just as many areas.
Essentially, once we (as chemists) understand all the information about most of the chemicals known to human-kind, there will be laboratory testing to ensure that the liquid-liquid equilibria is favorable for a given application in the field.
I wish I could answer your question in a more precise manner, but this is a very wide field.
Great question!
Sincerely,
Eugene