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Kinetic modeling of the methanol to olefins process, 2 : experimental results, model discrimination and parameter estimation

TY Park and Gilbert Froment (2001) INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH. 40(20). p.4187-4196
abstract
The methanol to olefin process on ZSM-5 was studied in an integral tubular reactor at atmospheric pressure and over a temperature range of 360-480 degreesC. Eight kinetic models based upon the elementary steps of the conversion of methanol over dimethyl ether into olefins were tested. They contained more than 30 parameters. The model parameters were transformed to include the physicochemical constraints in the parameter estimation itself, instead of accounting for these a posteriori. The estimation was performed by the genetic algorithm, followed by the Levenberg-Marquardt routine, but in combination with sequential quadratic programming to account for the constraints. The finally retained model corresponds to a mechanism that proceeds over oxonium methylide formed from a methoxy ion interacting with a basic site of the catalyst. The ylide subsequently reacts with dimethyloxonium ions to generate in parallel the primary products ethylene and propylene. Through steps of carbenium ion chemistry, the latter lead to higher olefins but also, to a lesser extent, to paraffins and aromatics.
Please use this url to cite or link to this publication:
author
organization
year
type
journalArticle (original)
publication status
published
subject
journal title
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
Ind. Eng. Chem. Res.
volume
40
issue
20
pages
4187 - 4196
Web of Science type
Article
Web of Science id
000171261000005
JCR category
ENGINEERING, CHEMICAL
JCR impact factor
1.351 (2001)
JCR rank
13/120 (2001)
JCR quartile
1 (2001)
ISSN
0888-5885
language
English
UGent publication?
yes
classification
A1
id
169733
handle
http://hdl.handle.net/1854/LU-169733
date created
2004-01-14 13:40:00
date last changed
2017-02-03 09:25:43
@article{169733,
  abstract     = {The methanol to olefin process on ZSM-5 was studied in an integral tubular reactor at atmospheric pressure and over a temperature range of 360-480 degreesC. Eight kinetic models based upon the elementary steps of the conversion of methanol over dimethyl ether into olefins were tested. They contained more than 30 parameters. The model parameters were transformed to include the physicochemical constraints in the parameter estimation itself, instead of accounting for these a posteriori. The estimation was performed by the genetic algorithm, followed by the Levenberg-Marquardt routine, but in combination with sequential quadratic programming to account for the constraints. The finally retained model corresponds to a mechanism that proceeds over oxonium methylide formed from a methoxy ion interacting with a basic site of the catalyst. The ylide subsequently reacts with dimethyloxonium ions to generate in parallel the primary products ethylene and propylene. Through steps of carbenium ion chemistry, the latter lead to higher olefins but also, to a lesser extent, to paraffins and aromatics.},
  author       = {Park, TY and Froment, Gilbert},
  issn         = {0888-5885},
  journal      = {INDUSTRIAL \& ENGINEERING CHEMISTRY RESEARCH},
  language     = {eng},
  number       = {20},
  pages        = {4187--4196},
  title        = {Kinetic modeling of the methanol to olefins process, 2 : experimental results, model discrimination and parameter estimation},
  volume       = {40},
  year         = {2001},
}

Chicago
Park, TY, and Gilbert Froment. 2001. “Kinetic Modeling of the Methanol to Olefins Process, 2 : Experimental Results, Model Discrimination and Parameter Estimation.” Industrial & Engineering Chemistry Research 40 (20): 4187–4196.
APA
Park, TY, & Froment, G. (2001). Kinetic modeling of the methanol to olefins process, 2 : experimental results, model discrimination and parameter estimation. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, 40(20), 4187–4196.
Vancouver
1.
Park T, Froment G. Kinetic modeling of the methanol to olefins process, 2 : experimental results, model discrimination and parameter estimation. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH. 2001;40(20):4187–96.
MLA
Park, TY, and Gilbert Froment. “Kinetic Modeling of the Methanol to Olefins Process, 2 : Experimental Results, Model Discrimination and Parameter Estimation.” INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH 40.20 (2001): 4187–4196. Print.