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 language | English |
|---|---|
| Pages (from-to) | 401-406 |
| Number of pages | 6 |
| Journal | Chemical Physics Letters |
| Volume | 231 |
| Issue number | 4-6 |
| DOIs | |
| Publication status | Published - Dec 30 1994 |
| Externally published | Yes |
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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 journal › Article
}
TY - JOUR
T1 - Can the 'van der Waals loop' vanish?. Effect of surface free energy
AU - Yamamoto, R.
AU - Tanaka, Hideki
AU - Nakanishi, K.
AU - Zeng, X. C.
PY - 1994/12/30
Y1 - 1994/12/30
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0000311843&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0000311843&partnerID=8YFLogxK
U2 - 10.1016/0009-2614(94)01268-7
DO - 10.1016/0009-2614(94)01268-7
M3 - Article
AN - SCOPUS:0000311843
VL - 231
SP - 401
EP - 406
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 4-6
ER -