Effects of molecular size and orientation on the interfacial properties and wetting behavior of water/<i>n</i>-alkane systems: a molecular-dynamics study
Fawaz Hrahsheh, Gerald Wilemski
Abstract
Increasing the n -alkane chain length affects the water/ n -alkane interfacial properties in a manner similar to cooling: the interface narrows, a complete-to-partial wetting transition occurs, and a layered structure emerges.
Topics & Concepts
AlkaneWettingMolecular dynamicsChemical physicsSurface tensionHydrogen bondChemistryMoleculeContact angleWater modelWetting transitionMaterials scienceThermodynamicsHydrocarbonComputational chemistryPhysicsOrganic chemistrySpectroscopy and Quantum Chemical StudiesPhase Equilibria and ThermodynamicsTheoretical and Computational Physics