Critical nucleus composition in a multicomponent system

T. Philippe; D. Blavette; P. W. Voorhees

doi:10.1063/1.4896222

Critical nucleus composition in a multicomponent system

T. Philippe, D. Blavette, P. W. Voorhees

Research output: Contribution to journal › Article › peer-review

Abstract

The properties of a critical nucleus are derived using the capillarity theory in the framework of classical nucleation. An analytical solution for the composition of a critical nucleus is given for low supersaturation. The theory is valid for any multicomponent systems. It is found that the deviation in nucleus composition from the equilibrium tie-line is mainly due to the difference in the Hessian of the Gibbs energy of the phases and the magnitude of the deviation in composition from equilibrium is order of the supersaturation. Despite our analysis strictly holds for low supersaturation, this suggests strong deviations near the spinodal line.

Original language	English
Article number	124306
Journal	Journal of Chemical Physics
Volume	141
Issue number	12
DOIs	https://doi.org/10.1063/1.4896222
Publication status	Published - 28 Sept 2014
Externally published	Yes

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title = "Critical nucleus composition in a multicomponent system",

abstract = "The properties of a critical nucleus are derived using the capillarity theory in the framework of classical nucleation. An analytical solution for the composition of a critical nucleus is given for low supersaturation. The theory is valid for any multicomponent systems. It is found that the deviation in nucleus composition from the equilibrium tie-line is mainly due to the difference in the Hessian of the Gibbs energy of the phases and the magnitude of the deviation in composition from equilibrium is order of the supersaturation. Despite our analysis strictly holds for low supersaturation, this suggests strong deviations near the spinodal line.",

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AU - Blavette, D.

AU - Voorhees, P. W.

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N2 - The properties of a critical nucleus are derived using the capillarity theory in the framework of classical nucleation. An analytical solution for the composition of a critical nucleus is given for low supersaturation. The theory is valid for any multicomponent systems. It is found that the deviation in nucleus composition from the equilibrium tie-line is mainly due to the difference in the Hessian of the Gibbs energy of the phases and the magnitude of the deviation in composition from equilibrium is order of the supersaturation. Despite our analysis strictly holds for low supersaturation, this suggests strong deviations near the spinodal line.

AB - The properties of a critical nucleus are derived using the capillarity theory in the framework of classical nucleation. An analytical solution for the composition of a critical nucleus is given for low supersaturation. The theory is valid for any multicomponent systems. It is found that the deviation in nucleus composition from the equilibrium tie-line is mainly due to the difference in the Hessian of the Gibbs energy of the phases and the magnitude of the deviation in composition from equilibrium is order of the supersaturation. Despite our analysis strictly holds for low supersaturation, this suggests strong deviations near the spinodal line.

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DO - 10.1063/1.4896222

M3 - Article

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SN - 0021-9606

VL - 141

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

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M1 - 124306

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Critical nucleus composition in a multicomponent system

Abstract

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