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4641805 
Journal Article 
Modelling and simulation of operation for the TAEE synthesis by catalytic distillation 
Ciornei, C; Bumbac, G; Plesu, V 
2005 
1 
Computer - Aided Chemical Engineering
ISSN: 1570-7946
EISSN: 2543-1331 
COMPUTER-AIDED CHEMICAL ENGINEERING 
20a-20b 
655-660 
WOS:000233423000108 
Catalytic distillation (CD), involving reaction and separation in the same unit, is possible and beneficial when both volatility of reactants is close each other, but quite different from the volatility of products, and the conversion is limited by chemical equilibrium. Synthesis of tert-amyl-ethyl-ether (TAEE). additive for ecological gasoline, from ethanol and isoamylenes fits these conditions. The reaction takes place on the surface and/or in the pores of the catalyst grains (e.g. cationic exchange resin Amberlyst). In this contribution a model including kinetic effects for both mass transfer and chemical reaction is built and simulation is performed for specific conditions. Mass transfer kinetics is represented by Maxwell Stefan model. (Taylor, 1993). Reaction kinetic model reported by linnekoski (1997) is adopted. The CD column has in the reactive zone, Sulzer Katapak structured packing with Amberlyst 15 and has in the non-reactive zone Sulzer Mellapak. One-dimensional discrete model built for the space occupied by each phase in the structured packing, includes mass and heat balance, as well as kinetic model. The model is implemented in MATLAB. During model solving, HYSYS simulation environment calculates on-line the thermo-physical properties. Starting values are imported from simulation of a simplified model developed previously in HYSYS (Bozga et. al., 2003, p. 575, Ciornei, 2004). In this last work solution routine, based on Newton homotopy continuation was developed. Given column geometry, packing and feed characteristics CD column performance (Conversion, product concentrations) is calculated. The results are presented as concentration and temperature profiles along the CD column. In future, column design and process optimisation, will be considered. 
catalytic distillation; TAEE; modelling and simulation; data transfer 
IRIS
• tert-Amyl ethyl ether (TAEE)
     Initial Litsearch 6/2018
          WOS