“…The electrostatic interaction at the rock–brine interface was assembled using a pure and smooth calcite surface by assuming >CaOH and >CO 3 H as the primary hydration sites. 11 , 14 , 19 , 27 , 76 For the oil–brine interface, −COOH and −NH were assumed as the hydration sites, representing the carboxylic and amine groups, respectively, of a crude oil molecule. 11 , 27 , 30 , 58 , 77 The charge distribution ( Table 3 ), which indicated the placement of ions on different planes, was modeled similar to the approach by Ding and co-workers 34 , 78 and Heberling et al, 31 , 32 for the calcite–brine interface, and Takeya et al 30 for the oil–brine interface.…”