262145 Removal of Oxygenated Species From Liquid Toluene by Adsorption

Wednesday, October 31, 2012: 12:51 PM
405 (Convention Center )
Cristian Brunchi, Andrzej I. Stankiewicz, Herman J. M. Kramer and Thijs J. H. Vlugt, Process & Energy, Delft University of Technology, Delft, Netherlands

Removal of oxygenated species from liquid toluene by adsorption

Cristian C. Brunchi, Andrzej I. Stankiewicz, Herman J.M. Kramer and Thijs J.H. Vlugt

Process& Energy Laboratory, Delft University of Technology, NL-2628 CA Delft, the   Netherlands

Corresponding author e-mail: c.c.brunchi@tudelft.nl

  The goal of this study is to develop a general methodology that can allow one to select a good zeolite adsorbent for any specific case study that requires removal of traces of mixtures from bulk liquid systems. As a case study, we are investigating the removal of mixtures of oxygenated odor compounds from liquid toluene using adsorption as a separation technology. The typical odor compounds present in the toluene stream are: butanal, ethyl-hexenal, dimethylcyclohexanone, trimethylphenol and trimethylanisole. Pure component adsorption isotherms in Na-Y zeolite are computed using Monte Carlo simulations. Binary, ternary and 6-component mixture isotherms are generated using the Adsorbed Solution Theory (AST). The fugacity of the liquid bulk mixture is calculated with two approaches: using the Peng-Robinson EOS and by calculating the activity coefficients in the bulk liquid mixture (gama-phi approach). Finally the generated adsorption isotherms are compared with experimentally obtained adsorption isotherms. Preliminary results show that the system behaves strongly non-ideal in the adsorbed phase.


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See more of this Session: Molecular Simulation of Adsorption II
See more of this Group/Topical: Separations Division