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The interplay between the torsional potential energy and the scaling of the1-4 van der Waals and Coulomb interactions determines the stiffness of flexiblemolecules. In molecular simulations often ad-hoc values for the scaling factor(SF) are adopted without adequate justification. In this letter we demonstratefor the first time that the precise value of the SF has direct consequences onthe critical properties and mechanisms of systems undergoing a phasetransition. By analyzing the melting of n-alkanes (hexane C6, dodecane C12,tetracosane C24) on graphite, we show that the SF is not a universal feature,that it monotonically decreases with the molecular length, and that it drives across-over between two distinct mechanisms for melting in such systems.

Cross-over mechanism of the melting transition in monolayers of alkanes adsorbed on graphite and the universality of energy scaling