Publication | Closed Access
Phase diagrams of heteronuclear dimers adsorbed on a square lattice
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Citations
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References
2002
Year
Phase DiagramsCrystal StructureChemical ThermodynamicsQuantum Lattice SystemEngineeringPhysicsMolecular ThermodynamicsNatural SciencesCondensed Matter PhysicsApplied PhysicsGrand Canonical EnsembleComputational ChemistryMolecular SimulationChemistryMonolayer FilmsMonte Carlo SimulationInterfacial StudyMolecular Dynamics
Monte Carlo simulation in the grand canonical ensemble has been performed to study phase transitions in monolayer films formed by heteronuclear dimers. The phase diagrams have been estimated for some model systems. The results reveal a great variety of vapor–liquid coexistence behaviors depending on the relative strengths of interactions between molecule segments. The structural transitions have been found.
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