Monte Carlo simulation of homogeneous binary vapor-liquid nucleation: Mutual enhancement of nucleation in a partially miscible system

S. Yoo; K. J. Oh; X. C. Zeng

doi:10.1063/1.1409364

Monte Carlo simulation of homogeneous binary vapor-liquid nucleation: Mutual enhancement of nucleation in a partially miscible system

S. Yoo
, K. J. Oh
, X. C. Zeng

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

20 Citations (Scopus)

Abstract

The equilibrium physical cluster distribution in a supersaturated vapor mixture was computed using Monte Carlo simulations. A statistical mechanical formula of Gibbs free energy based on physical-cluster theory of nucleation was derived and a molecular interpretation was presented. Results confirmed the existence of mutual enhancement of nucleation in a binary model system composed of Lennard-J ones monomers and dimers.

Original language	English
Pages (from-to)	8518-8524
Journal	Journal of Chemical Physics
Volume	115
Issue number	18
DOIs	https://doi.org/10.1063/1.1409364
Publication status	Published - 8 Nov 2001
Externally published	Yes

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Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

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abstract = "The equilibrium physical cluster distribution in a supersaturated vapor mixture was computed using Monte Carlo simulations. A statistical mechanical formula of Gibbs free energy based on physical-cluster theory of nucleation was derived and a molecular interpretation was presented. Results confirmed the existence of mutual enhancement of nucleation in a binary model system composed of Lennard-J ones monomers and dimers.",

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T2 - Mutual enhancement of nucleation in a partially miscible system

AU - Yoo, S.

AU - Oh, K. J.

AU - Zeng, X. C.

N1 - Publication details (e.g. title, author(s), publication statuses and dates) are captured on an “AS IS” and “AS AVAILABLE” basis at the time of record harvesting from the data source. Suggestions for further amendments or supplementary information can be sent to [email protected].

PY - 2001/11/8

Y1 - 2001/11/8

N2 - The equilibrium physical cluster distribution in a supersaturated vapor mixture was computed using Monte Carlo simulations. A statistical mechanical formula of Gibbs free energy based on physical-cluster theory of nucleation was derived and a molecular interpretation was presented. Results confirmed the existence of mutual enhancement of nucleation in a binary model system composed of Lennard-J ones monomers and dimers.

AB - The equilibrium physical cluster distribution in a supersaturated vapor mixture was computed using Monte Carlo simulations. A statistical mechanical formula of Gibbs free energy based on physical-cluster theory of nucleation was derived and a molecular interpretation was presented. Results confirmed the existence of mutual enhancement of nucleation in a binary model system composed of Lennard-J ones monomers and dimers.

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M3 - RGC 21 - Publication in refereed journal

SN - 0021-9606

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SP - 8518

EP - 8524

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 18

ER -

Monte Carlo simulation of homogeneous binary vapor-liquid nucleation: Mutual enhancement of nucleation in a partially miscible system

Abstract

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