On the Calculation of Surface Tensions of <Emphasis Type="Italic">n</Emphasis>-Alkanes Using the Modified SAFT-BACK-DFT Approach

Density functional theory is combined with the modified SAFT-BACK EOS to investigate liquid–vapor interfaces of n-alkanes. We evaluate the temperature dependence of the interfacial width and the surface tension. Differences in chain length of the alkanes lead to differences in the thermodynamic properties of the fluids. A single curve for the reduced width of the interface as a function of reduced temperature serves to correlate interfacial properties of a wide variety of linear chain fluids (excluding methane and ethane) with sufficient accuracy for our purposes.