Intermediate phases during solid to liquid transitions in long-chain n-alkanes

Stella Corsetti*, Thomas Rabl, David McGloin, Johannes Kiefer

*Corresponding author for this work

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

The solid to liquid phase transition of n-alkanes with more than ten carbon atoms is an interesting phenomenon relevant to many fields, from cosmetics to automotive. Here we report Raman spectroscopy of tetradecane, pentadecane and hexadecane as a function of temperature. In order to gain information on the structural changes that the hydrocarbons undergo during melting, and to determine the temperature and the speed at which the phase change occurs, their temperature-dependent Raman spectra are acquired. The spectra are analysed not only with respect to frequency shifts, band widths, and intensity ratio of certain bands, but also using a principal component analysis. The spectroscopic data suggest that the solid to liquid phase transition in hexadecane, differently from tetradecane and pentadecane, is almost instantaneous. Tetradecane shows a slightly faster transition than pentadecane. In addition, a rotator phase as an intermediate state between the liquid and crystalline solid phases is identified in pentadecane. Different characteristic features in the solid spectra of the hydrocarbons relate tetradecane and hexadecane to a tryclinic crystalline structure, and pentadecane to an orthorhombic structure.

Original languageEnglish
Pages (from-to)13941-13950
Number of pages10
JournalPhysical Chemistry Chemical Physics
Volume19
Issue number21
Early online date11 May 2017
DOIs
Publication statusPublished - 7 Jun 2017

Keywords

  • ROTATOR PHASE
  • X-RAY
  • SURFACE CRYSTALLIZATION
  • VIBRATIONAL-SPECTRA
  • RAMAN-SPECTROSCOPY
  • PARAFFINS
  • PRESSURE
  • SCATTERING
  • NONADECANE
  • MOLECULES

Cite this

Intermediate phases during solid to liquid transitions in long-chain n-alkanes. / Corsetti, Stella; Rabl, Thomas; McGloin, David; Kiefer, Johannes.

In: Physical Chemistry Chemical Physics, Vol. 19, No. 21, 07.06.2017, p. 13941-13950.

Research output: Contribution to journalArticle

Corsetti, Stella ; Rabl, Thomas ; McGloin, David ; Kiefer, Johannes. / Intermediate phases during solid to liquid transitions in long-chain n-alkanes. In: Physical Chemistry Chemical Physics. 2017 ; Vol. 19, No. 21. pp. 13941-13950.
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AB - The solid to liquid phase transition of n-alkanes with more than ten carbon atoms is an interesting phenomenon relevant to many fields, from cosmetics to automotive. Here we report Raman spectroscopy of tetradecane, pentadecane and hexadecane as a function of temperature. In order to gain information on the structural changes that the hydrocarbons undergo during melting, and to determine the temperature and the speed at which the phase change occurs, their temperature-dependent Raman spectra are acquired. The spectra are analysed not only with respect to frequency shifts, band widths, and intensity ratio of certain bands, but also using a principal component analysis. The spectroscopic data suggest that the solid to liquid phase transition in hexadecane, differently from tetradecane and pentadecane, is almost instantaneous. Tetradecane shows a slightly faster transition than pentadecane. In addition, a rotator phase as an intermediate state between the liquid and crystalline solid phases is identified in pentadecane. Different characteristic features in the solid spectra of the hydrocarbons relate tetradecane and hexadecane to a tryclinic crystalline structure, and pentadecane to an orthorhombic structure.

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