Transferable potentials for phase equilibria. 7. Primary, secondary, and tertiary amines, nitroalkanes and nitrobenzene, nitriles, amides, pyridine, and pyrimidine

The transferable potentials for phase equilibria force fields are extended to amine, nitro, nitrile, and amide functionalities and to pyridine and pyrimidine. Stimulations in the Gibbs ensemble were applied to neat amine, nitromethane, nitroethane, nitrobenzene, acetonitrile, propionitrile, acetamide, propanamide, butanamide, pyridine, and pyrimidine.