The present tutorial paper briefly explains the fundamentals of molecular dynamics simulation, that is, the equations of motion and the molecular models. Two types of the molecular models are introduced : “atomistic model” and “coarse-grained model”. The former represents real molecular systems faithfully, whereas the latter represents water/oil/surfactant systems quite simply with focusing on the most essential characteristics, hydorophilicity and hydorophobicity. The molecular dynamics studies of interfacial microstructures and surface forces are briefly introduced. As for water in the vicinity of hydrophilic and hydrophobic solid surfaces, the results from the atomistic model simulations are compared with those from the coarse-grained model simulations. The more practical applications of the coarse-grained model are also explained, where the interaction forces between the hydrophilic colloids in alcohol solutions are studied.
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