Photocatalytic degradation of 4-chlorophenol: A mechanistically-based model

U. Stafford; K. A. Gray; P. V. Kamat

doi:10.1163/156856797X00574

Photocatalytic degradation of 4-chlorophenol: A mechanistically-based model

U. Stafford, K. A. Gray^*, P. V. Kamat

^*Corresponding author for this work

Civil and Environmental Engineering

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

25 Scopus citations

Abstract

The photocatalytic degradation of 4-CP was mathematically modelled using the mechanistic insights and data presented in an earlier study [1]. The solution and surface concentrations of reacting species were calculated by solving a system of differential equations that account for oxidation reactions of dissolved and adsorbed species, adsorption and desorption, reduction of oxygen, and hole-electron recombination. The differential equations were integrated over discrete time-periods and annular regions of the photoreactor. The resulting model predicts the trends observed in studies in other laboratories using different experimental apparati. Using the model it is possible to predict effects of reactor geometry, TiO₂ loading, light intensity, and mixing on the course of TiO₂ photocatalytic oxidation. The model verifies the importance of surface reactions, and reveals the need to better understand the fate and role of oxygen in TiO₂ photocatalytic systems.

Original language	English (US)
Pages (from-to)	355-388
Number of pages	34
Journal	Research on Chemical Intermediates
Volume	23
Issue number	4
DOIs	https://doi.org/10.1163/156856797X00574
State	Published - 1997

Funding

The authors gratefully acknowledge the support KAG) and the Office of Basic Energy Sciences of NSF (Grant No. BCS91-57948, of the U.S. Department of Energy from the Notre Dame Radiation

ASJC Scopus subject areas

General Chemistry

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10.1163/156856797X00574

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title = "Photocatalytic degradation of 4-chlorophenol: A mechanistically-based model",

abstract = "The photocatalytic degradation of 4-CP was mathematically modelled using the mechanistic insights and data presented in an earlier study [1]. The solution and surface concentrations of reacting species were calculated by solving a system of differential equations that account for oxidation reactions of dissolved and adsorbed species, adsorption and desorption, reduction of oxygen, and hole-electron recombination. The differential equations were integrated over discrete time-periods and annular regions of the photoreactor. The resulting model predicts the trends observed in studies in other laboratories using different experimental apparati. Using the model it is possible to predict effects of reactor geometry, TiO2 loading, light intensity, and mixing on the course of TiO2 photocatalytic oxidation. The model verifies the importance of surface reactions, and reveals the need to better understand the fate and role of oxygen in TiO2 photocatalytic systems.",

author = "U. Stafford and Gray, {K. A.} and Kamat, {P. V.}",

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T2 - A mechanistically-based model

AU - Stafford, U.

AU - Gray, K. A.

AU - Kamat, P. V.

N1 - Funding Information: The authors gratefully acknowledge the support KAG) and the Office of Basic Energy Sciences Funding Information: of NSF (Grant No. BCS91-57948, of the U.S. Department of Energy from the Notre Dame Radiation

PY - 1997

Y1 - 1997

N2 - The photocatalytic degradation of 4-CP was mathematically modelled using the mechanistic insights and data presented in an earlier study [1]. The solution and surface concentrations of reacting species were calculated by solving a system of differential equations that account for oxidation reactions of dissolved and adsorbed species, adsorption and desorption, reduction of oxygen, and hole-electron recombination. The differential equations were integrated over discrete time-periods and annular regions of the photoreactor. The resulting model predicts the trends observed in studies in other laboratories using different experimental apparati. Using the model it is possible to predict effects of reactor geometry, TiO2 loading, light intensity, and mixing on the course of TiO2 photocatalytic oxidation. The model verifies the importance of surface reactions, and reveals the need to better understand the fate and role of oxygen in TiO2 photocatalytic systems.

AB - The photocatalytic degradation of 4-CP was mathematically modelled using the mechanistic insights and data presented in an earlier study [1]. The solution and surface concentrations of reacting species were calculated by solving a system of differential equations that account for oxidation reactions of dissolved and adsorbed species, adsorption and desorption, reduction of oxygen, and hole-electron recombination. The differential equations were integrated over discrete time-periods and annular regions of the photoreactor. The resulting model predicts the trends observed in studies in other laboratories using different experimental apparati. Using the model it is possible to predict effects of reactor geometry, TiO2 loading, light intensity, and mixing on the course of TiO2 photocatalytic oxidation. The model verifies the importance of surface reactions, and reveals the need to better understand the fate and role of oxygen in TiO2 photocatalytic systems.

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Photocatalytic degradation of 4-chlorophenol: A mechanistically-based model

Abstract

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ASJC Scopus subject areas

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