Application of extended NRTL equation for ternary liquid-liquid and vapor-liquid-liquid equilibria description
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Pavol Steltenpohl
und
Elena Graczová
Abstract
Simulation of a hydrocarbons mixture separation by extractive distillation was based on binary vapor-liquid as well as liquid-liquid equilibrium data. Sulfolane was considered as extractive solvent for the selective toluene separation from a model mixture with heptane. For simulation of the chosen hydrocarbons mixture separation in the presence of an extractive solvent, the NRTL model was considered. A set of temperature-dependent binary NRTL parameters was evaluated independently by fitting the experimental vapor-liquid and liquid-liquid equilibrium data of the respective binary subsystems. In order to improve the description of the ternary vapor-liquid equilibrium, original NRTL model extended by the ternary contribution term was used. Parameters of the ternary contribution were obtained by direct fitting of available ternary liquid-liquid equilibrium data while employing the original binary NRTL parameters. Quality of the ternary vapor-liquid-liquid equilibrium description using the original and the extended excess Gibbs energy models was assessed by comparing the calculated compositions of conjugate liquid phases with experimental data. Using the extended NRTL model, mean deviation of the computed mole fractions decreased by approximately four times (9.73 × 10−3) compared to the value obtained using the original NRTL model. Both original and extended NRTL models were employed for the simulation of a model mixture separation by extractive distillation. At chosen experimental conditions, high purity distillate (x 1 > 0.999) was obtained. Results of the aromatics extractive distillation in the presence of sulfolane were compared to those obtained with N-methylpyrrolidone as the extractive solvent.
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© 2009 Institute of Chemistry, Slovak Academy of Sciences
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Artikel in diesem Heft
- A proposal of reference values for relative uncertainty increase in spectrophotometric analysis of pharmaceutical formulations
- Spectrophotometric quantification of fluoxetine hydrochloride: Application to quality control and quality assurance processes
- A simple turbidimetric flow injection system for saccharin determination in sweetener products
- Determination of metoprolol tartrate by capillary isotachophoresis
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- Application of extended NRTL equation for ternary liquid-liquid and vapor-liquid-liquid equilibria description
- Synthesis, DNA binding, and antimicrobial studies of novel metal complexes containing a pyrazolone derivative Schiff base
- Synthesis, spectral and electrochemical study of coordination molecules Cu4OX6L4: 4-cyanopyridine Cu4OBrnCl(6−n)(4-CNpy)4 complexes
- Synthesis, spectral and electrochemical study of coordination molecules Cu4OX6L4: 3-cyanopyridine Cu4OBrnCl(6−n)(3-CNpy)4 complexes
- Deposition and release of chlorhexidine from non-ionic and anionic polymer matrices
- Synthesis of new antimicrobial 4-aminosubstituted 3-nitrocoumarins
- Spectroscopic characterization of halogen- and cyano-substituted pyridinevinylenes synthesized without catalyst or solvent
- Chemical composition and antimicrobial activity of Erodium species: E. ciconium L., E. cicutarium L., and E. absinthoides Willd. (Geraniaceae)
- Photo-Fenton and photo-Fenton-like processes for the degradation of methyl orange in aqueous medium: Influence of oxidation states of iron
- Voltammetry of resazurin at a mercury electrode
- Effect of dielectric medium on angiotensin converting enzyme inhibitors binding to Zn2+
- HPLC analysis of a syrup containing nimesulide and its hydrolytic degradation product
