Can the 'van der Waals loop' vanish?. Effect of surface free energy

R. Yamamoto, Hideki Tanaka, K. Nakanishi, X. C. Zeng

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

We have shown previously that the 'van der Waals loop' of the equation of state, an artifact which appeared in computer simulations for small-size systems, can be removed by enlarging the system size. In this Letter we argue that a large system size simulation is required only when the surface free energy of domains is large in the course of the phase separation, which usually occurs when the system is quenched deeply into a two-phase region. For a shallow quench, however, the 'loop' effect is not serious because of the small surface free energy of domains. We also show that such a shallow quench can also be achieved effectively by reducing the attractive part of intennolecular potential while retaining the repulsive part of the potential at the same system temperature.

Original languageEnglish
Pages (from-to)401-406
Number of pages6
JournalChemical Physics Letters
Volume231
Issue number4-6
DOIs
Publication statusPublished - Dec 30 1994
Externally publishedYes

Fingerprint

Free energy
free energy
Equations of state
Phase separation
retaining
artifacts
Computer simulation
equations of state
computerized simulation
expansion
Temperature
simulation
temperature

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

Cite this

Can the 'van der Waals loop' vanish?. Effect of surface free energy. / Yamamoto, R.; Tanaka, Hideki; Nakanishi, K.; Zeng, X. C.

In: Chemical Physics Letters, Vol. 231, No. 4-6, 30.12.1994, p. 401-406.

Research output: Contribution to journalArticle

Yamamoto, R. ; Tanaka, Hideki ; Nakanishi, K. ; Zeng, X. C. / Can the 'van der Waals loop' vanish?. Effect of surface free energy. In: Chemical Physics Letters. 1994 ; Vol. 231, No. 4-6. pp. 401-406.
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