Molecular simulation of crystal nucleation in n -octane melts

Homogeneous nucleation of the crystal phase in n -octane melts was studied by molecular simulation with a realistic, united-atom model for n -octane. The structure of the crystal phase and the melting point of n -octane were determined through molecular dynamics simulation and found to agree with ex...

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Veröffentlicht in:	The Journal of chemical physics 2009-10, Vol.131 (13), p.134902-134902-11
Hauptverfasser:	Yi, Peng, Rutledge, Gregory C.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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