Comparison of diffusion models in the modeling of a catalytic membrane fixed bed reactor coupling dehydrogenation of ethylbenzene with hydrogenation of nitrobenzene

Nabeel S. Abo-Ghander; Filip Logist; John R. Grace; Jan F.M. Van Impe; Said S.E.H. Elnashaie; C. Jim Lim

doi:10.1016/j.compchemeng.2011.10.007

Comparison of diffusion models in the modeling of a catalytic membrane fixed bed reactor coupling dehydrogenation of ethylbenzene with hydrogenation of nitrobenzene

Nabeel S. Abo-Ghander, Filip Logist, John R. Grace^*, Jan F.M. Van Impe, Said S.E.H. Elnashaie, C. Jim Lim

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

10 Scopus citations

Abstract

Coupling of dehydrogenation of ethylbezene with hydrogenation of nitrobenzene in a catalytic membrane reactor can lead to a significant improvement in the conversion of ethylbenzene and production of styrene. In this work, the homogeneous reactor model for a cocurrent flow configuration is compared to two heterogeneous models based on the Fickian diffusion model and the dusty gas model for both isothermal and non-isothermal pellets. It is observed that both heterogeneous models predict a significant drop in yield and conversion compared to the homogeneous model, indicating the importance of heterogeneity. This drop is generally less severe for the dusty gas model than for the Fickian diffusion model. The assumption of isothermality causes larger deviations than the assumption of Fickian diffusion. The deviations in the predictions of the homogenous model and the heterogeneous models from those of the dusty gas model for non-isothermal pellets are ∼6% and ∼11%, respectively.

Original language	English
Pages (from-to)	11-23
Number of pages	13
Journal	Computers and Chemical Engineering
Volume	38
DOIs	https://doi.org/10.1016/j.compchemeng.2011.10.007
State	Published - 5 Mar 2012
Externally published	Yes

Bibliographical note

Funding Information:
The authors are very grateful to the Saudi Arabian government and to King Fahd University of Petroleum & Minerals (KFUPM) for sponsoring the studies of N. Abo-Ghander at the University of British Columbia. Work of F. Logist and J.F.M. Van Impe is supported in part by Projects OT/10/035, OPTEC (Center-of-Excellence Optimization in Engineering) PFV/10/002 and SCORES4CHEM KP/09/005 of the Katholieke Universiteit Leuven, and by the Belgian Program on Interuniversity Poles of Attraction, initiated by the Belgian Federal Science Policy Office. J.F.M. Van Impe holds the Safety Engineering chair sponsored by the Belgian Chemistry and Life Sciences Federation Essenscia .

Keywords

Dehydrogenation
Dusty gas model
Fickian diffusion model
Heterogeneous model
Homogeneous model
Hydrogenation
Membrane reactor

ASJC Scopus subject areas

General Chemical Engineering
Computer Science Applications

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10.1016/j.compchemeng.2011.10.007

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Abo-Ghander, N. S., Logist, F., Grace, J. R., Van Impe, J. F. M., Elnashaie, S. S. E. H., & Lim, C. J. (2012). Comparison of diffusion models in the modeling of a catalytic membrane fixed bed reactor coupling dehydrogenation of ethylbenzene with hydrogenation of nitrobenzene. Computers and Chemical Engineering, 38, 11-23. https://doi.org/10.1016/j.compchemeng.2011.10.007

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title = "Comparison of diffusion models in the modeling of a catalytic membrane fixed bed reactor coupling dehydrogenation of ethylbenzene with hydrogenation of nitrobenzene",

abstract = "Coupling of dehydrogenation of ethylbezene with hydrogenation of nitrobenzene in a catalytic membrane reactor can lead to a significant improvement in the conversion of ethylbenzene and production of styrene. In this work, the homogeneous reactor model for a cocurrent flow configuration is compared to two heterogeneous models based on the Fickian diffusion model and the dusty gas model for both isothermal and non-isothermal pellets. It is observed that both heterogeneous models predict a significant drop in yield and conversion compared to the homogeneous model, indicating the importance of heterogeneity. This drop is generally less severe for the dusty gas model than for the Fickian diffusion model. The assumption of isothermality causes larger deviations than the assumption of Fickian diffusion. The deviations in the predictions of the homogenous model and the heterogeneous models from those of the dusty gas model for non-isothermal pellets are ∼6\% and ∼11\%, respectively.",

keywords = "Dehydrogenation, Dusty gas model, Fickian diffusion model, Heterogeneous model, Homogeneous model, Hydrogenation, Membrane reactor",

author = "Abo-Ghander, \{Nabeel S.\} and Filip Logist and Grace, \{John R.\} and \{Van Impe\}, \{Jan F.M.\} and Elnashaie, \{Said S.E.H.\} and Lim, \{C. Jim\}",

note = "Funding Information: The authors are very grateful to the Saudi Arabian government and to King Fahd University of Petroleum \& Minerals (KFUPM) for sponsoring the studies of N. Abo-Ghander at the University of British Columbia. Work of F. Logist and J.F.M. Van Impe is supported in part by Projects OT/10/035, OPTEC (Center-of-Excellence Optimization in Engineering) PFV/10/002 and SCORES4CHEM KP/09/005 of the Katholieke Universiteit Leuven, and by the Belgian Program on Interuniversity Poles of Attraction, initiated by the Belgian Federal Science Policy Office. J.F.M. Van Impe holds the Safety Engineering chair sponsored by the Belgian Chemistry and Life Sciences Federation Essenscia .",

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AU - Abo-Ghander, Nabeel S.

AU - Logist, Filip

AU - Grace, John R.

AU - Van Impe, Jan F.M.

AU - Elnashaie, Said S.E.H.

AU - Lim, C. Jim

N1 - Funding Information: The authors are very grateful to the Saudi Arabian government and to King Fahd University of Petroleum & Minerals (KFUPM) for sponsoring the studies of N. Abo-Ghander at the University of British Columbia. Work of F. Logist and J.F.M. Van Impe is supported in part by Projects OT/10/035, OPTEC (Center-of-Excellence Optimization in Engineering) PFV/10/002 and SCORES4CHEM KP/09/005 of the Katholieke Universiteit Leuven, and by the Belgian Program on Interuniversity Poles of Attraction, initiated by the Belgian Federal Science Policy Office. J.F.M. Van Impe holds the Safety Engineering chair sponsored by the Belgian Chemistry and Life Sciences Federation Essenscia .

PY - 2012/3/5

Y1 - 2012/3/5

N2 - Coupling of dehydrogenation of ethylbezene with hydrogenation of nitrobenzene in a catalytic membrane reactor can lead to a significant improvement in the conversion of ethylbenzene and production of styrene. In this work, the homogeneous reactor model for a cocurrent flow configuration is compared to two heterogeneous models based on the Fickian diffusion model and the dusty gas model for both isothermal and non-isothermal pellets. It is observed that both heterogeneous models predict a significant drop in yield and conversion compared to the homogeneous model, indicating the importance of heterogeneity. This drop is generally less severe for the dusty gas model than for the Fickian diffusion model. The assumption of isothermality causes larger deviations than the assumption of Fickian diffusion. The deviations in the predictions of the homogenous model and the heterogeneous models from those of the dusty gas model for non-isothermal pellets are ∼6% and ∼11%, respectively.

AB - Coupling of dehydrogenation of ethylbezene with hydrogenation of nitrobenzene in a catalytic membrane reactor can lead to a significant improvement in the conversion of ethylbenzene and production of styrene. In this work, the homogeneous reactor model for a cocurrent flow configuration is compared to two heterogeneous models based on the Fickian diffusion model and the dusty gas model for both isothermal and non-isothermal pellets. It is observed that both heterogeneous models predict a significant drop in yield and conversion compared to the homogeneous model, indicating the importance of heterogeneity. This drop is generally less severe for the dusty gas model than for the Fickian diffusion model. The assumption of isothermality causes larger deviations than the assumption of Fickian diffusion. The deviations in the predictions of the homogenous model and the heterogeneous models from those of the dusty gas model for non-isothermal pellets are ∼6% and ∼11%, respectively.

KW - Dehydrogenation

KW - Dusty gas model

KW - Fickian diffusion model

KW - Heterogeneous model

KW - Homogeneous model

KW - Hydrogenation

KW - Membrane reactor

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M3 - Article

AN - SCOPUS:84857445085

SN - 0098-1354

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SP - 11

EP - 23

JO - Computers and Chemical Engineering

JF - Computers and Chemical Engineering

ER -

Comparison of diffusion models in the modeling of a catalytic membrane fixed bed reactor coupling dehydrogenation of ethylbenzene with hydrogenation of nitrobenzene

Abstract

Bibliographical note

Keywords

ASJC Scopus subject areas

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