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 exper...

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Bibliographic Details
Main Authors: Yi, Peng (Contributor), Rutledge, Gregory C. (Contributor)
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering (Contributor), Massachusetts Institute of Technology. Department of Physics (Contributor)
Format: Article
Language:English
Published: American Institute of Physics, 2012-02-02T21:30:03Z.
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