10.1021/acs.iecr.7b00948.s001
Pascal
D. Hermann
Pascal
D.
Hermann
Toine Cents
Toine
Cents
Elias Klemm
Elias
Klemm
Dirk Ziegenbalg
Dirk
Ziegenbalg
Determination of the Kinetics of the Ethoxylation
of Octanol in Homogeneous
Phase
American Chemical Society
2017
vom
propagation steps
VI
Weibull
fluid dynamics model
data
method
2017-05-08 00:00:00
Journal contribution
https://acs.figshare.com/articles/journal_contribution/Determination_of_the_Kinetics_of_the_Ethoxylation_of_Octanol_in_Homogeneous_Phase/5012786
A two-dimensional
computational fluid dynamics model was utilized
to test different kinetic models for the description of the anionic
polymerization of octanol with ethylene oxide in a microreactor. The
reaction was performed as a continuous reaction under elevated pressure
and temperatures in a one-phase system. The kinetic parameters were
determined with numerical methods by reducing the deviation to experimental
data based on the Nelder–Mead method. Four different reaction
models with one, two, three, and four different rates for the first
propagation steps were tested. The best agreement with the experimental
data was found for the four rate model, with a prediction accuracy
close to the experimental error. The gathered data suggests an increasing
reaction rate for the first four propagation steps, which is in agreement
with the Weibull–Törnquist effect [Weibull and Törnquist. Berichte
vom VI. Internationalen Kongress für Grenzflächenaktive
Stoffe, Zürich, vom 11. bis 15. September 1972; Carl Hanser Verlag: Munich, 1972; p 125; Sallay et al. Tenside Deterg. 1980, 17, 298].