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

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.

authors

• Economou, Ioannis

published proceedings

• MACROMOLECULES

author list (cited authors)

• Spyriouni, T., Economou, I. G., & Theodorou, D. N.

citation count

• 9

complete list of authors

• Spyriouni, T||Economou, IG||Theodorou, DN

publication date

• February 1998

publisher

• American Chemical Society (ACS)  Publisher

published in

• MACROMOLECULES  Journal

Digital Object Identifier (DOI)

• 10.1021/ma9709157

start page

• 1430

end page

• 1431

volume

• 31

issue

• 4