Mathematical modeling of starch oxidation by hydrogen peroxide in the presence of an iron catalyst complex

Tapio Salmi; Pasi Tolvanen; Johan Wärnå; Päivi Mäki-Arvela; Dmitry Murzin; Alexander Sorokin

doi:10.1016/j.ces.2016.02.027

Mathematical modeling of starch oxidation by hydrogen peroxide in the presence of an iron catalyst complex

Tapio Salmi, Pasi Tolvanen, Johan Wärnå, Päivi Mäki-Arvela, Dmitry Murzin, Alexander Sorokin

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

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Abstract

An advanced kinetic and diffusion model was developed and verified for the oxidation of starch by hydrogen peroxide in the presence of a homogeneous iron tetrasulphonatophtalocyanine (FePcS) catalyst. The model takes into account several experimentally confirmed observations, such as the oxidative formation of carbonyl and carboxyl groups in starch, as well as the decomposition of starch, catalyst and H₂O₂. The model is based on molecular mechanisms for the oxidation and decomposition reactions as well as on the dual structure of starch particles comprising an outer reaction layer and an internal porous layer, in which diffusion resistance retards the reaction rate. Adsorption of the catalyst on the starch surface is included in the model. The mathematical model explained very well the experimentally observed complex behavior of starch oxidation kinetics and hydrogen peroxide decomposition.

Original language	Undefined/Unknown
Pages (from-to)	19–25
Journal	Chemical Engineering Science
Volume	146
DOIs	https://doi.org/10.1016/j.ces.2016.02.027
Publication status	Published - 2016
MoE publication type	A1 Journal article-refereed

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10.1016/j.ces.2016.02.027

http://www.sciencedirect.com/science/article/pii/S0009250916300811

Cite this

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title = "Mathematical modeling of starch oxidation by hydrogen peroxide in the presence of an iron catalyst complex",

abstract = "An advanced kinetic and diffusion model was developed and verified for the oxidation of starch by hydrogen peroxide in the presence of a homogeneous iron tetrasulphonatophtalocyanine (FePcS) catalyst. The model takes into account several experimentally confirmed observations, such as the oxidative formation of carbonyl and carboxyl groups in starch, as well as the decomposition of starch, catalyst and H2O2. The model is based on molecular mechanisms for the oxidation and decomposition reactions as well as on the dual structure of starch particles comprising an outer reaction layer and an internal porous layer, in which diffusion resistance retards the reaction rate. Adsorption of the catalyst on the starch surface is included in the model. The mathematical model explained very well the experimentally observed complex behavior of starch oxidation kinetics and hydrogen peroxide decomposition.",

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T1 - Mathematical modeling of starch oxidation by hydrogen peroxide in the presence of an iron catalyst complex

AU - Salmi, Tapio

AU - Tolvanen, Pasi

AU - Wärnå, Johan

AU - Mäki-Arvela, Päivi

AU - Murzin, Dmitry

AU - Sorokin, Alexander

N1 - tk.

PY - 2016

Y1 - 2016

N2 - An advanced kinetic and diffusion model was developed and verified for the oxidation of starch by hydrogen peroxide in the presence of a homogeneous iron tetrasulphonatophtalocyanine (FePcS) catalyst. The model takes into account several experimentally confirmed observations, such as the oxidative formation of carbonyl and carboxyl groups in starch, as well as the decomposition of starch, catalyst and H2O2. The model is based on molecular mechanisms for the oxidation and decomposition reactions as well as on the dual structure of starch particles comprising an outer reaction layer and an internal porous layer, in which diffusion resistance retards the reaction rate. Adsorption of the catalyst on the starch surface is included in the model. The mathematical model explained very well the experimentally observed complex behavior of starch oxidation kinetics and hydrogen peroxide decomposition.

AB - An advanced kinetic and diffusion model was developed and verified for the oxidation of starch by hydrogen peroxide in the presence of a homogeneous iron tetrasulphonatophtalocyanine (FePcS) catalyst. The model takes into account several experimentally confirmed observations, such as the oxidative formation of carbonyl and carboxyl groups in starch, as well as the decomposition of starch, catalyst and H2O2. The model is based on molecular mechanisms for the oxidation and decomposition reactions as well as on the dual structure of starch particles comprising an outer reaction layer and an internal porous layer, in which diffusion resistance retards the reaction rate. Adsorption of the catalyst on the starch surface is included in the model. The mathematical model explained very well the experimentally observed complex behavior of starch oxidation kinetics and hydrogen peroxide decomposition.

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DO - 10.1016/j.ces.2016.02.027

M3 - Artikel

SN - 0009-2509

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SP - 19

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JO - Chemical Engineering Science

JF - Chemical Engineering Science

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