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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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Vapor-liquid phase coexistence curves for Morse fluids

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Title
Vapor-liquid phase coexistence curves for Morse fluids
Author
Singh, Jayant K.Adhikari, JhumpaKwak, Sang Kyu
Keywords
Critical properties; Grand canonical transition matrix Monte Carlo method; Morse fluids; Vapor-liquid equilibrium
Issue Date
2006-10
Publisher
ELSEVIER SCIENCE BV
Citation
FLUID PHASE EQUILIBRIA, v.248, no.1, pp.1 - 6
Abstract
Phase coexistence of Morse fluids is predicted for parameters in the range describing the behavior of metals using the grand-canonical transition matrix Monte Carlo method. The critical properties of the vapor-liquid equilibrium curves for three fcc metals, Al, Cu, and Au, and two bcc alkali metals, Na and K, are estimated and the critical temperature values are found to be in good agreement with the experimental data for the fcc metals considered but overestimated for the bcc metals. For Na, it was found that the critical density and vapor pressure as a function of temperature (below the critical temperature) estimates to be approximately concurrent with experimental results.
URI
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DOI
10.1016/j.fluids.2005.07.010
ISSN
0378-3812
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ECHE_Journal Papers
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