Thermodynamics of semicontinuous n-alcohol/ultra-low sulfur diesel blends

Two methods for calculating activity coefficients of ultra-low sulfur diesel (ULSD) and its blends with pure alcohols (C1–C5), namely, UNIFAC-continuous and UNIFAC-Dortmund-continuous, are presented. ULSD was modeled as a continuous blend of paraffins, naphthenes, and aromatics. The molar distributi...

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Bibliographic Details
Published in:Fluid phase equilibria 2015-09, Vol.401, p.9-15
Main Authors: Hernández, Juan P., Bustamante, Felipe, Agudelo, John R.
Format: Article
Language:English
Subjects:
Activity coefficients
alcohols
Blends
Continuous thermodynamics
Diesel
Diesel fuels
Distillation
Mathematical models
Phase equilibrium
Polymer blends
Sulfur
ULSD
UNIFAC
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Summary:Two methods for calculating activity coefficients of ultra-low sulfur diesel (ULSD) and its blends with pure alcohols (C1–C5), namely, UNIFAC-continuous and UNIFAC-Dortmund-continuous, are presented. ULSD was modeled as a continuous blend of paraffins, naphthenes, and aromatics. The molar distribution in each family was expressed as a function of carbon number using the gamma distribution function. The parameters of the distribution function can be easily fitted from experimental distillation data of ULSD and extrapolated to n-alcohol/ULSD blends. The activity coefficients obtained were used to model the ASTM D86 distillation curves. UNIFAC-Dortmund-continuous exhibited the best fitting to the experimental results. Based on that, three new correlations for calculating the boiling point, vapor pressure and structural groups of complex ULSD are proposed here.
ISSN:0378-3812
1879-0224
DOI:10.1016/j.fluid.2015.05.013