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Experimental and Simulation Insights into the Thermophysical Properties of Dibutyl Ether Mixed with n-Heptane and n-Octane
Ist Teil von
Korean Journal of Chemical Engineering, 2024, 41(4), 289, pp.1197-1208
Ort / Verlag
New York: Springer US
Erscheinungsjahr
2024
Link zum Volltext
Quelle
Alma/SFX Local Collection
Beschreibungen/Notizen
In this study, we examined the excess molar volume (
V
m
E
), kinematic viscosity (
ν
), and refractive index (
n
D
) of a binary mixture comprising dibutyl ether (1) +
n
-heptane or
n
-octane (2) system across temperatures ranging from 298.15 to 318.15 K. We calculated deviations in kinematic viscosity (∆
ν
) and refractive index (
Δ
n
D
) using the measured data of
ν
and
n
D
. The
V
m
E
values were consistently positive throughout the composition range, becoming less so as temperature increased. Conversely, the ∆ν values were negative. At 298.15 K, the
V
m
E
,
ν
and
n
D
data were analyzed employing the Prigogine–Flory–Patterson theory, Singh model, and other correlations. Among them, the Tamura and Kurata, and the Hind, McLaughin & Ubbelohde correlation for viscosity, showcased the highest predictive accuracy. Additionally, at 298.15 K, we determined the dynamic viscosity (∆
η
) deviation for the mixtures. Employing the Singh model to estimate dynamic viscosity, our predictions closely matched the measured data. Additionally, intermolecular interaction energies and energy differences in these binary systems were investigated using molecular dynamics simulations. This study provides valuable contributions to combustion modeling and sheds light on optimizing fuel compositions.