Abstract
Dispersion and polarization energies between water and hydrocarbon phases are calculated by using the second-order perturbation theory of intermolecular forces. The following three cases are considered: the interaction between water and (a) a perpendicular-oriented hydrocarbon assembly, (b) a parallel-oriented hydrocarbon assembly, and (c) a disoriented hydrocarbon liquid. As results, (i) the ratios of dispersion energy to polarization energy are 4.53 and 3.17 for the cases (a) and (b), respectively. (it) The ratio of dispersion energy for the case (a) to that for the case (b) is about 1.81. The ratio of polarization energy for the case (a) to that for the case (b) is about 1.27. (3) The ratio g = W αα⊥ W αα Ran , of dispersion energy for the case (a) to that for the case (c) is 1.35. The ratio of the total interaction energies (dispersion + polarization) for the case (a) to that for the case (b) is 1.67. From these results, it is suggested that a perpendicular orientation of hydrocarbon chains at the interface between water and hydrocarbon phases is energetically more favorable than a random orientation or a parallel orientation.
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call