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Molecular dynamics investigation on the vapor–liquid interface behavior of long-chain alkanes, alcohols, and their mixtures

Tao Yang, Jun Shen, Chenyang Zhu, Jiangtao Wu

2023Journal of Molecular Liquids12 citationsDOI

Topics & Concepts

DodecaneMolecular dynamicsSurface tensionChemistryOctanolSolvationThermodynamicsDodecanolForce field (fiction)Chemical physicsMoleculePartition coefficientComputational chemistryOrganic chemistryArtificial intelligencePhysicsComputer sciencePhase Equilibria and ThermodynamicsSpectroscopy and Quantum Chemical StudiesMaterial Dynamics and Properties
Molecular dynamics investigation on the vapor–liquid interface behavior of long-chain alkanes, alcohols, and their mixtures | Litcius