Rmq. Ferreira et al., HETEROGENEOUS MODELS OF TUBULAR REACTORS PACKED WITH ION-EXCHANGE RESINS - SIMULATION OF THE MTBE SYNTHESIS, Industrial & engineering chemistry research, 35(11), 1996, pp. 3827-3841
The study of the behavior of fixed-bed reactors using ion-exchange res
ins as catalysts was carried out by making use of a complete bidimensi
onal heterogeneous model for the reactor, which included the resistanc
es inside the ion-exchange resin particles, considered with a macroret
icular structure. The active sites were located inside the gel phase o
f the resin, represented by microspheres, and on the macropores walls.
The overall efficiency of such heterogeneous catalyst particles was d
efined by the macroeffectiveness and microeffectiveness factors accoun
ting for the process behavior on the macropores and inside the microsp
heres. The synthesis of methyl tert-butyl ether, MTBE, a liquid-phase
reversible exothermic reaction between methanol and isobutene, was con
sidered as a reference case. This system was studied in the temperatur
e range of 313-338 K, and the effect of the thermodynamic equilibrium
conditions was examined. The results predicted by the complete heterog
eneous model were compared with those obtained with the simple pseudoh
omogeneous model, which revealed higher hot spots. Moreover, a compari
son between bidimensional and unidimensional models was also performed
. The orthogonal collocation method was used for the discretization of
he differential equations inside the catalyst particles, which were r
educed from three (corresponding to the three mass balances for the th
ree compounds, isobutene, methanol, and MTBE) to only; one differentia
l equation, by using the concept of the generalized variable.