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A mathematical model for computer simulation of the direct continuous esterification process between terephthalic acid and ethylene glycol. Part II: Reaction rate constants
Author(s) -
Yamada Toshiro,
Imamura Yoshio,
Makimura Osamu,
Kamatani Hiroyoshi
Publication year - 1986
Publication title -
polymer engineering and science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.503
H-Index - 111
eISSN - 1548-2634
pISSN - 0032-3888
DOI - 10.1002/pen.760261010
Subject(s) - diethylene glycol , terephthalic acid , activation energy , ethylene glycol , arrhenius equation , oligomer , materials science , thermodynamics , ethylene , polymer , chemical engineering , polymer chemistry , chemistry , organic chemistry , catalysis , polyester , composite material , physics , engineering
It has been confirmed that the reaction model proposed previously, which can express simultaneously the oligomer properties and the distillate properties under low esterification pressure, is applicable to a continuous direct esterification process in a practical plant. The experimental data of the first esterification reactor (RA‐1) was obtained under low reaction pressures (atomospheric or 1 kg/cm 2 G) with the pilot plant throughput based on poly(ethylene terephthalate) (PET) polymer production of about 50 kg/h. The Arrhenius' parameters, frequency factor, and apparent activation energy, were determined fitting the experimental data of the pilot plant by using the Simplex method as an optimization technique. The activation energy of diethylene glycol (DEG) formation, E 7 , is about twice as much as those of the esterifications, E 1 , E 2 , E 3 , and E 4 . The activation energies are E 1 , = 19640 cal/mol, E 2 = 18140, E 3 = 22310, E 4 = 18380, E 5 = 2810, E 6 = 14960, and E 7 = 42520 cal/mol. Good agreement was obtained between experimental data and calculated predictions for several oligomer and distillate properties. The vapor‐liquid equilibrium can be expressed by Raoult's law with little problem of practical use.