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Kwak, Sang Kyu
Kyu’s MolSim Lab @ UNIST
Research Interests
  • Molecular modeling and simulation, statistical thermodynamics, molecular physics

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Interfacial properties of Morse fluids

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Title
Interfacial properties of Morse fluids
Author
Singh, J. K.Adhikari, J.Kwak, Sang Kyu
Keywords
LIQUID PHASE COEXISTENCE; LENNARD-JONES FLUID; SQUARE-WELL FLUID; SURFACE-TENSION; CUBIC METALS; MONTE-CARLO; TEMPERATURE; TRANSITION; BEHAVIOR
Issue Date
2007
Publisher
TAYLOR & FRANCIS LTD
Citation
MOLECULAR PHYSICS, v.105, no.8, pp.981 - 987
Abstract
The interfacial properties as reflected in the interfacial tension values and the density profile of Morse fluids has been studied. The parameter range is chosen to coincide with that describing the behaviour of solid metals. The interfacial tension has been found to follow Guggenheim's and MacLeod's relations. However, the constants, while independent of temperature for each metal, are not the universal values predicted; with the exception of Macleod's exponent p. The density profile illustrates the change in densities across the interface dividing the coexisting vapour and liquid phases. The correlation length is also found to follow the universal relation with temperature, but again the constants, while independent of temperature, are dependent on the type of metal. The value of constant is found to be different for all five metals considered and is found to differ from the three-dimensional Ising model value of = 0.630, which is also predicted by applying the Lennard-Jones model.
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DOI
10.1080/00268970701253149
ISSN
0026-8976
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ECHE_Journal Papers
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