>>11205052>I would like to see the intermolecular forces in play, forming two phases.>I believe this is not a very ambitious goalWell I think it is very ambitious. If you want to simulate the intramolecular forces, you need to perform quantum calculation. But computing a solution at this level is not accessible.
If you want to perform some molecular mechanics of a molecule in solution, you can use gromacs. But it will poorly predict the solubility of your compound.
If you want to predict the solubility of a compounds, then use gaussian. There is a function that let you predict the solubility in different solvent (but you will not "see" the forces in play)
>how will nicotine distribute itself between a three phase system made of chloroform, water and pentaneI am confuse. Chloroform and hexane are miscible. I do not understand how you can have three phases.
If your solution is acidic, nicotine will end up in the aqueous phase. If your solution is basic, it should go into your organic phase.
If you want to your extraction, just use wather saturated with NaHCO3 and chloroform. The nicotine will go in the organic phase.
Just stop using hexane, it is a shitty solvent for slightly polar molecules and especially alkaloids.
