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Chain formation in homogeneous gas–liquid nucleation of polar fluids

By P.R. ten Wolde, D.W. Oxtoby and D. Frenkel


We report a computer-simulation study of homogeneous gas–liquid nucleation in a model for\ud strongly polar fluids. We find that the nucleation process is initiated by chain-like clusters. As the\ud cluster size is increased, the chains become longer. However, beyond a certain size, the nuclei\ud collapse to form compact, spherical clusters. Nevertheless, in the interface of the collapsed nuclei a\ud high degree of chain formation is preserved. We compare the interface of the collapsed nuclei with\ud the planar interface and find that the interface of the globule-like nuclei differs markedly from the\ud flat interface. Classical nucleation theory underestimates both the size of the critical nucleus and the\ud height of the nucleation barrier

Topics: Scheikunde
Year: 1999
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