The interfacial tensions of the various interfaces could also be estimated using these simulations, which are tabulated in Tables and (Supplementary Materials). These simulations were carried out using two different grain sizes (0.1 nm 3 and 1 nm 3 ) to ensure that the estimated values are independent of the grain size, which is found to be the case. The area per molecule was estimated by counting the numbers of hydrocarbon chains, which are present in both the molecules.