The Orthobaric Surface Tensions and Thermodynamic Properties of the Liquid Surfaces of the n—Alkanes, C₅ to C₂₈

Molecular dynamics simulations of the surface tension of n-hexane, n-decane and n-hexadecane

“…At coexistence we compared our simulation results with those from Alejandre et al [11] and at lower temperatures with experimental data [23,24].…”

“…Figure 3 showed that the simulations overestimate the liquid densities at these conditions. Figure 5 shows that, plotted versus T , the surface tension of the alkanes is 2474 J. P. Nicolas and B. Smit [23,24].…”

Gradient theory computation of the radius-dependent surface tension and nucleation rate for n-nonane clusters

“…33 The influence parameter was obtained by fitting the orthobaric surface tension data for n-nonane by Jasper et al 38 The influence parameter was computed using Eq. ͑23͒ valid for the planar phase interface.…”

“…The surface tension for n-nonane has been measured by Jasper et al 38,54 Orthobaric 57 data 38 span over the range of 0 -60°C and has been correlated by the authors to a linear form ͑mN m −1 ͒ = 24.84− 0.094 17͑T / K − 273.15͒. Isobaric measurements 54 were taken in a dry nitrogen atmosphere at a total pressure of 760 Torr ͑101 325 Pa͒ in the range of 0 -100°C.…”

“…The determination of the influence parameter was based on the orthobaric data. 38 Liquid density. Density of the liquid n-nonane was computed from the fundamental equation of state by Lemmon and Span.…”