Solid–liquid phase equilibria of binary hydrocarbon mixtures predicted by Lattice Cluster Theory
In: Journal of Molecular Liquids, Jg. 212 (2015-12-01), S. 436-443
Online
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Zugriff:
The solid–liquid equilibrium (SLE) of hydrocarbon mixtures is highly relevant in petroleum and chemical industry. The formulation of thermodynamic models with a high accuracy in predicting solid–liquid phase behavior is an essential and also a challenging topic. In this publication, the authors applied Lattice Cluster Theory for predicting the SLE of these mixtures. The model takes into account the molecular structure of the pure components, which is a priori known. Using the LCT in the incompressible formulation, an analytical calculation method with a high predictive power for SLE, where the molecular structures of the components are underlying, could be provided. The binary interaction parameter could be estimated using enthalpy of mixing data taken from the literature. The quality of the LCT in modeling the heat of mixture is similar to the quality of the physical based equation of state, the Perturbed Chain–Statistical Association Fluid Theory equation of state (PC–SAFT). The predictive power of the model is investigated using four different solutes ( n -dodecane, n -hexadecane, n -eicosane and n -tetracosane) having different chain lengths in the solvent n -hexane. The SLE calculation is based on the properties of the pure components. In the case of n -eicosane, a large scatter of the experimental data in the literature occurs. Therefore, differential scanning calorimetry experiments at very low heating rate were performed.
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Solid–liquid phase equilibria of binary hydrocarbon mixtures predicted by Lattice Cluster Theory
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Autor/in / Beteiligte Person: | Enders, Sabine ; Fischlschweiger, Michael |
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Zeitschrift: | Journal of Molecular Liquids, Jg. 212 (2015-12-01), S. 436-443 |
Veröffentlichung: | Elsevier BV, 2015 |
Medientyp: | unknown |
ISSN: | 0167-7322 (print) |
DOI: | 10.1016/j.molliq.2015.10.005 |
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