Phenomenological-based kinetics modelling of dehydrogenation of ethylbenzene to styrene over a Mg 3 Fe 0.25 Mn 0.25 Al 0.5 hydrotalcite catalyst

Muhammad Mustafa Hussain; Luqman Atanda; Sulaiman Al-Khattaf

doi:10.1002/cjce.21698

Phenomenological-based kinetics modelling of dehydrogenation of ethylbenzene to styrene over a Mg 3 Fe 0.25 Mn 0.25 Al 0.5 hydrotalcite catalyst

Muhammad Mustafa Hussain, Luqman Atanda, Sulaiman Al-Khattaf

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

7 Scopus citations

Abstract

This communication reports a mechanism-based kinetics modelling for the dehydrogenation of ethylbenzene to styrene (ST) using Mg3Fe0.25Mn0.25Al0.5 catalyst. Physicochemical characterisation of the catalyst indicates that the presence of basic sites Mg2+O2- on the catalysts along with Fe3+ is responsible for the catalytic activity. The kinetics experiments are developed using a CREC Fluidised Riser Simulator. Based on the experimental observations and the possible mechanism of the various elementary steps, Langmuir-Hinshelwood type kinetics model are developed. To take into account of the possible catalyst deactivation a reactant conversion-based deactivation function is also introduced into the model. Parameters are estimated by fitting of the experimental data implemented in MATLAB. Results show that one site type Langmuir-Hinshelwood model appropriately describes the experimental data, with adequate statistical fitting indicators and also satisfied the thermodynamic restraints. The estimated heat of adsorptions of EB (64kJ/mole) is comparable to the values available in the literature. The activation energy for the formation of ST (85.5kJ/mole) found to be significantly lower than that of the cracking product benzene (136.6kJ/mole). These results are highly desirable in order to achieve high selectivity of the desired product ST. © 2012 Canadian Society for Chemical Engineering.

Original language	English (US)
Pages (from-to)	924-935
Number of pages	12
Journal	The Canadian Journal of Chemical Engineering
Volume	91
Issue number	5
DOIs	https://doi.org/10.1002/cjce.21698
State	Published - May 18 2012

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledged KAUST grant number(s): K-C1-019-12
Acknowledgements: The authors wish to acknowledge the financial support from King Abdullah University of Science and Technology (KAUST) under Project K-C1-019-12 and the Centre for Research Excellence in Petroleum Refining and Petrochemicals at King Fahd University of Petroleum & Minerals. The authors would also like to thank Professor K. Takehira (Hiroshima University, Japan) for his valuable comments and contributions. The technical support from Mr. Mariano Gica in the experimentation is highly appreciated.
This publication acknowledges KAUST support, but has no KAUST affiliated authors.

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@article{6c25d3f511784dcf9df251159f693514,

title = "Phenomenological-based kinetics modelling of dehydrogenation of ethylbenzene to styrene over a Mg 3 Fe 0.25 Mn 0.25 Al 0.5 hydrotalcite catalyst",

abstract = "This communication reports a mechanism-based kinetics modelling for the dehydrogenation of ethylbenzene to styrene (ST) using Mg3Fe0.25Mn0.25Al0.5 catalyst. Physicochemical characterisation of the catalyst indicates that the presence of basic sites Mg2+O2- on the catalysts along with Fe3+ is responsible for the catalytic activity. The kinetics experiments are developed using a CREC Fluidised Riser Simulator. Based on the experimental observations and the possible mechanism of the various elementary steps, Langmuir-Hinshelwood type kinetics model are developed. To take into account of the possible catalyst deactivation a reactant conversion-based deactivation function is also introduced into the model. Parameters are estimated by fitting of the experimental data implemented in MATLAB. Results show that one site type Langmuir-Hinshelwood model appropriately describes the experimental data, with adequate statistical fitting indicators and also satisfied the thermodynamic restraints. The estimated heat of adsorptions of EB (64kJ/mole) is comparable to the values available in the literature. The activation energy for the formation of ST (85.5kJ/mole) found to be significantly lower than that of the cracking product benzene (136.6kJ/mole). These results are highly desirable in order to achieve high selectivity of the desired product ST. {\textcopyright} 2012 Canadian Society for Chemical Engineering.",

author = "Hussain, {Muhammad Mustafa} and Luqman Atanda and Sulaiman Al-Khattaf",

note = "KAUST Repository Item: Exported on 2020-10-01 Acknowledged KAUST grant number(s): K-C1-019-12 Acknowledgements: The authors wish to acknowledge the financial support from King Abdullah University of Science and Technology (KAUST) under Project K-C1-019-12 and the Centre for Research Excellence in Petroleum Refining and Petrochemicals at King Fahd University of Petroleum & Minerals. The authors would also like to thank Professor K. Takehira (Hiroshima University, Japan) for his valuable comments and contributions. The technical support from Mr. Mariano Gica in the experimentation is highly appreciated. This publication acknowledges KAUST support, but has no KAUST affiliated authors.",

year = "2012",

month = may,

day = "18",

doi = "10.1002/cjce.21698",

language = "English (US)",

volume = "91",

pages = "924--935",

journal = "The Canadian Journal of Chemical Engineering",

issn = "0008-4034",

publisher = "Wiley",

number = "5",

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Phenomenological-based kinetics modelling of dehydrogenation of ethylbenzene to styrene over a Mg 3 Fe 0.25 Mn 0.25 Al 0.5 hydrotalcite catalyst. / Hussain, Muhammad Mustafa; Atanda, Luqman; Al-Khattaf, Sulaiman.
In: The Canadian Journal of Chemical Engineering, Vol. 91, No. 5, 18.05.2012, p. 924-935.

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

TY - JOUR

T1 - Phenomenological-based kinetics modelling of dehydrogenation of ethylbenzene to styrene over a Mg 3 Fe 0.25 Mn 0.25 Al 0.5 hydrotalcite catalyst

AU - Hussain, Muhammad Mustafa

AU - Atanda, Luqman

AU - Al-Khattaf, Sulaiman

N1 - KAUST Repository Item: Exported on 2020-10-01 Acknowledged KAUST grant number(s): K-C1-019-12 Acknowledgements: The authors wish to acknowledge the financial support from King Abdullah University of Science and Technology (KAUST) under Project K-C1-019-12 and the Centre for Research Excellence in Petroleum Refining and Petrochemicals at King Fahd University of Petroleum & Minerals. The authors would also like to thank Professor K. Takehira (Hiroshima University, Japan) for his valuable comments and contributions. The technical support from Mr. Mariano Gica in the experimentation is highly appreciated. This publication acknowledges KAUST support, but has no KAUST affiliated authors.

PY - 2012/5/18

Y1 - 2012/5/18

N2 - This communication reports a mechanism-based kinetics modelling for the dehydrogenation of ethylbenzene to styrene (ST) using Mg3Fe0.25Mn0.25Al0.5 catalyst. Physicochemical characterisation of the catalyst indicates that the presence of basic sites Mg2+O2- on the catalysts along with Fe3+ is responsible for the catalytic activity. The kinetics experiments are developed using a CREC Fluidised Riser Simulator. Based on the experimental observations and the possible mechanism of the various elementary steps, Langmuir-Hinshelwood type kinetics model are developed. To take into account of the possible catalyst deactivation a reactant conversion-based deactivation function is also introduced into the model. Parameters are estimated by fitting of the experimental data implemented in MATLAB. Results show that one site type Langmuir-Hinshelwood model appropriately describes the experimental data, with adequate statistical fitting indicators and also satisfied the thermodynamic restraints. The estimated heat of adsorptions of EB (64kJ/mole) is comparable to the values available in the literature. The activation energy for the formation of ST (85.5kJ/mole) found to be significantly lower than that of the cracking product benzene (136.6kJ/mole). These results are highly desirable in order to achieve high selectivity of the desired product ST. © 2012 Canadian Society for Chemical Engineering.

AB - This communication reports a mechanism-based kinetics modelling for the dehydrogenation of ethylbenzene to styrene (ST) using Mg3Fe0.25Mn0.25Al0.5 catalyst. Physicochemical characterisation of the catalyst indicates that the presence of basic sites Mg2+O2- on the catalysts along with Fe3+ is responsible for the catalytic activity. The kinetics experiments are developed using a CREC Fluidised Riser Simulator. Based on the experimental observations and the possible mechanism of the various elementary steps, Langmuir-Hinshelwood type kinetics model are developed. To take into account of the possible catalyst deactivation a reactant conversion-based deactivation function is also introduced into the model. Parameters are estimated by fitting of the experimental data implemented in MATLAB. Results show that one site type Langmuir-Hinshelwood model appropriately describes the experimental data, with adequate statistical fitting indicators and also satisfied the thermodynamic restraints. The estimated heat of adsorptions of EB (64kJ/mole) is comparable to the values available in the literature. The activation energy for the formation of ST (85.5kJ/mole) found to be significantly lower than that of the cracking product benzene (136.6kJ/mole). These results are highly desirable in order to achieve high selectivity of the desired product ST. © 2012 Canadian Society for Chemical Engineering.

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UR - http://doi.wiley.com/10.1002/cjce.21698

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U2 - 10.1002/cjce.21698

DO - 10.1002/cjce.21698

M3 - Article

SN - 0008-4034

VL - 91

SP - 924

EP - 935

JO - The Canadian Journal of Chemical Engineering

JF - The Canadian Journal of Chemical Engineering

IS - 5

ER -

Phenomenological-based kinetics modelling of dehydrogenation of ethylbenzene to styrene over a Mg 3 Fe 0.25 Mn 0.25 Al 0.5 hydrotalcite catalyst

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