(36c) Oxygen-Containing Contaminants and Steam Cracking: Understanding Their Impact Using COILSIM1D | AIChE

(36c) Oxygen-Containing Contaminants and Steam Cracking: Understanding Their Impact Using COILSIM1D

Authors 

Amghizar, I., Ghent University
Marin, G. B., Ghent University

Oxygen-containing contaminants and steam cracking:
Understanding their impact using COILSIM1D

Abstract:

Depleting oil reserves and increasing environmental
concerns have enhanced the interest in alternative and renewable feedstocks for
the production of base chemicals. Consequently, significant efforts are being carried
out aiming at the fundamental understanding and the development of micro
kinetic models of the thermal degradation of oxygen containing renewable feeds and
oxygen-containing contaminants, which can be of interest as feedstocks for olefin
production via steam cracking. Unfortunately, these oxygen-containing species can
affect the product distribution, and therefore accurately describing the
thermal decomposition of these components is of high importance. Besides the
yields of high valuable chemicals (small olefins), it is necessary to predict
the yields of the small oxygen containing components, e.g. methanol and
aldehydes, which affect the operation of the process: They can lead to problems
in the upstream separation train, such as off-spec products, and are known to
lead to gums formation.

This paper focusses on the (co)-cracking of renewable
feeds or feeds with a considerable amount of oxygen-containing contaminants.
COILSIM1D is a well-known tool for accurate yield prediction of industrial
steam crackers. Recently, its microkinetic model has been extended to account
for various common oxygen-containing compounds. The fundamental model of
COILSIM1D explicitly accounts for the elementary steps and the corresponding
kinetic and thermodynamic parameters are derived from high level ab-initio calculations.
Therefore, the model has a broad validity range in terms of feeds and operating
conditions. To illustrate this, a case study of steam cracking of oxygen
containing species in a hydrocarbon mixture matrix will be presented.
Particular attention will be paid to the small pyrolysis products which are
important contaminants of the upstream separation section. The results of the COILSIM1D
simulations are compared with experimental data for validation purposes.

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