Theoretical insight into the effect of polar organic molecules on heptane-water interfacial properties using molecular dynamic simulation
Songqi Li, Yuetian Liu, Liang Xue, Dongdong Zhu
Topics & Concepts
van der Waals forceChemical physicsChemical polarityHeptaneMoleculeChemistryHydrocarbonPolarAdsorptionInteraction energyMolecular dynamicsSurface energyWork (physics)Materials scienceChemical engineeringOrganic chemistryComputational chemistryThermodynamicsPhysical chemistryPhysicsEngineeringAstronomySpectroscopy and Quantum Chemical StudiesHydrocarbon exploration and reservoir analysisPetroleum Processing and Analysis