TY - JOUR
T1 - Photocatalytic degradation of 4-chlorophenol
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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U2 - 10.1163/156856797X00574
DO - 10.1163/156856797X00574
M3 - Article
AN - SCOPUS:0001015581
SN - 0922-6168
VL - 23
SP - 355
EP - 388
JO - Research on Chemical Intermediates
JF - Research on Chemical Intermediates
IS - 4
ER -