Molecular simulation of the pure n-hexadecane vapor-liquid equilibria at elevated temperature

Theodora Spyriouni, Ioannis Economou, Doros N. Theodorou

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

The phase envelope of pure n-hexadecane is calculated by an iterative scheme that involves the simultaneous simulation of two distinct phase in the NPT ensemble. The simulation data are plotted against the Lee-Kessler correlation predictions, and good agreement is observed. For purposes of comparison, experimental data are also shown.

Original languageEnglish
Pages (from-to)1430-1431
Number of pages2
JournalMacromolecules
Volume31
Issue number4
DOIs
Publication statusPublished - 1 Jan 1998
Externally publishedYes

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Phase equilibria
Temperature
n-hexadecane

ASJC Scopus subject areas

  • Materials Chemistry

Cite this

Molecular simulation of the pure n-hexadecane vapor-liquid equilibria at elevated temperature. / Spyriouni, Theodora; Economou, Ioannis; Theodorou, Doros N.

In: Macromolecules, Vol. 31, No. 4, 01.01.1998, p. 1430-1431.

Research output: Contribution to journalArticle

Spyriouni, Theodora ; Economou, Ioannis ; Theodorou, Doros N. / Molecular simulation of the pure n-hexadecane vapor-liquid equilibria at elevated temperature. In: Macromolecules. 1998 ; Vol. 31, No. 4. pp. 1430-1431.
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