PRELIMINARY STUDY OF SIMULATION FOR ILLUSTRATING DEHYDRATION PROCESS OF BIOETHANOL TO DIETHYL ETHER USING SUZ-4 ZEOLITE CATALYST
Keywords:
Catalyst, zeolite, SUZ-4, adsorptionAbstract
Process simulation for catalytic dehydration of bioethanol to diethyl ether or DEE over SUZ-4 zeolite catalyst was constructed from a canonical Monte Carlo Simulation. The position of SUZ-4 zeolite structure was designed by Wyckoff positions of group 65 (Cmmm). The SUZ-4 zeolite framework consists of connected K4Al4Si32O72, which has an orthorhombic crystal structure. The length of unit cell is a = 18.8064 Å, b = 14.2298 Å, and c = 7.4548 Å. DEE can be used as the alternative fuel for diesel engine due to its low auto-ignition temperature and high Cetane number. Thus, this work aims to convert bioethanol to DEE for this purpose. DEE is produced by the dehydration of ethanol which is an endothermic reaction that requires heat and catalysts. This reaction occurs in the vapor phase at a temperature between 150 and 300C. The simulation results found that the increase of the double amount of bioethanol gave a %ethanol conversion increasing of 2-3%. While the increase of %active site within 60-100% provided %ethanol conversion rising of 40%-80%. The probability of a catalytic dehydration process of the active site position found that the ethanol molecules of the active site in 8-membered rings and 10-membered rings can be accessed more than the 6-membered rings.
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