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Degradation and mineralization of phenol compounds with goethite catalyst and mineralization prediction using artificial intelligence.

Tisa F, Davoody M, Abdul Raman AA, Daud WM - PLoS ONE (2015)

Bottom Line: The efficiency of phenol degradation via Fenton reaction using mixture of heterogeneous goethite catalyst with homogeneous ferrous ion was analyzed as a function of three independent variables, initial concentration of phenol (60 to 100 mg /L), weight ratio of initial concentration of phenol to that of H2O2 (1: 6 to 1: 14) and, weight ratio of initial concentration of goethite catalyst to that of H2O2 (1: 0.3 to 1: 0.7).Two separate models were developed using artificial neural networks to predict degradation percentage by a combination of Fe3+ and Fe2+ catalyst.Satisfactory agreement was observed between testing data and the predicted values (R2Phenol = 0.9214 and R2TOC= 0.9082).

View Article: PubMed Central - PubMed

Affiliation: Department of Chemical Engineering, Faculty of Engineering, University of Malaya,50603 Kuala Lumpur, Malaysia.

ABSTRACT
The efficiency of phenol degradation via Fenton reaction using mixture of heterogeneous goethite catalyst with homogeneous ferrous ion was analyzed as a function of three independent variables, initial concentration of phenol (60 to 100 mg /L), weight ratio of initial concentration of phenol to that of H2O2 (1: 6 to 1: 14) and, weight ratio of initial concentration of goethite catalyst to that of H2O2 (1: 0.3 to 1: 0.7). More than 90 % of phenol removal and more than 40% of TOC removal were achieved within 60 minutes of reaction. Two separate models were developed using artificial neural networks to predict degradation percentage by a combination of Fe3+ and Fe2+ catalyst. Five operational parameters were employed as inputs while phenol degradation and TOC removal were considered as outputs of the developed models. Satisfactory agreement was observed between testing data and the predicted values (R2Phenol = 0.9214 and R2TOC= 0.9082).

No MeSH data available.


Effect of initial hydrogen peroxide concentration on TOC removal and phenol oxidation at different Phenol conc.(a),(d) [Phenol]0 = 100 mg / L(b),(e) [Phenol]0 = 80 mg / L and (c), (f) [Phenol]0 = 60 mg / L.
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pone.0119933.g004: Effect of initial hydrogen peroxide concentration on TOC removal and phenol oxidation at different Phenol conc.(a),(d) [Phenol]0 = 100 mg / L(b),(e) [Phenol]0 = 80 mg / L and (c), (f) [Phenol]0 = 60 mg / L.

Mentions: Concentration of hydrogen peroxide is an important parameter for phenol degradation. Thus, influence of amount of hydrogen peroxide was investigated. Different ratios of phenol: hydrogen peroxide was investigated for 100mg/L of phenol destruction. The ratio differed from 1: 6 to 1: 14. Based on the result, it can be concluded that ratio of phenol: hydrogen peroxide of 1: 14 produced the best degradation and mineralization rate. Usually, the amount of H2O2 used is greater than the stoichometry amount necessary for complete mineralization of the initial organic compound [38]. One requires at least 506 mg /L of H2O2 in order to completely mineralize 100 mg /L of phenol, but 85% mineralization was achieved by Huang C-P and Huang, Yao-Hui with ratio of phenol to hydrogen peroxide of 1: 40 in mg /L [39]. Higher removal of TOC is probably due to direct oxidation of phenol or its intermediates. Generally, direct oxidation process of phenolic compounds to desired end products (carbon dioxide and water) is very slow. Phenoxy radicals, polymer species, benzoquinone, muconic, maleic, formic, oxalic acids have been reported as the intermediates formed in mineralization process of phenol. In our research with application of goethite catalyst along with ferrous solution, the ratio of hydrogen peroxide to initial phenol concentration was decreased to 1: 14 with > 90% phenol removal in 60 min. No mineralization was observed within 150 min with goethite catalyst alone. In the work of Zazo JA, Casas JA, Mohedano AF and Gilarranz MA, Rodiguez JJ ratio of ferrous to hydrogen peroxide of 1: 500 mg /L resulted in less than 50% mineralization of phenol with initial TOC of 76.6 mg /L [34]. > 30% removal of TOC was achieved with addition of 2 g /L goethite catalyst and ferrous salt in a weight ratio of 1: 0.22 per 100 mg /L of phenol in our research in less than 100 min. It can be depicted from the observed result that, the kinetic rate and mineralization greatly depend on initial concentration of hydrogen peroxide. The degradation rate of hydrogen peroxide maintains a linear correlation with mineralization of phenol. Fig. 4 represents the degradation and mineralization trend for various ratios of initial phenol concentration to hydrogen peroxide concentration.


Degradation and mineralization of phenol compounds with goethite catalyst and mineralization prediction using artificial intelligence.

Tisa F, Davoody M, Abdul Raman AA, Daud WM - PLoS ONE (2015)

Effect of initial hydrogen peroxide concentration on TOC removal and phenol oxidation at different Phenol conc.(a),(d) [Phenol]0 = 100 mg / L(b),(e) [Phenol]0 = 80 mg / L and (c), (f) [Phenol]0 = 60 mg / L.
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pone.0119933.g004: Effect of initial hydrogen peroxide concentration on TOC removal and phenol oxidation at different Phenol conc.(a),(d) [Phenol]0 = 100 mg / L(b),(e) [Phenol]0 = 80 mg / L and (c), (f) [Phenol]0 = 60 mg / L.
Mentions: Concentration of hydrogen peroxide is an important parameter for phenol degradation. Thus, influence of amount of hydrogen peroxide was investigated. Different ratios of phenol: hydrogen peroxide was investigated for 100mg/L of phenol destruction. The ratio differed from 1: 6 to 1: 14. Based on the result, it can be concluded that ratio of phenol: hydrogen peroxide of 1: 14 produced the best degradation and mineralization rate. Usually, the amount of H2O2 used is greater than the stoichometry amount necessary for complete mineralization of the initial organic compound [38]. One requires at least 506 mg /L of H2O2 in order to completely mineralize 100 mg /L of phenol, but 85% mineralization was achieved by Huang C-P and Huang, Yao-Hui with ratio of phenol to hydrogen peroxide of 1: 40 in mg /L [39]. Higher removal of TOC is probably due to direct oxidation of phenol or its intermediates. Generally, direct oxidation process of phenolic compounds to desired end products (carbon dioxide and water) is very slow. Phenoxy radicals, polymer species, benzoquinone, muconic, maleic, formic, oxalic acids have been reported as the intermediates formed in mineralization process of phenol. In our research with application of goethite catalyst along with ferrous solution, the ratio of hydrogen peroxide to initial phenol concentration was decreased to 1: 14 with > 90% phenol removal in 60 min. No mineralization was observed within 150 min with goethite catalyst alone. In the work of Zazo JA, Casas JA, Mohedano AF and Gilarranz MA, Rodiguez JJ ratio of ferrous to hydrogen peroxide of 1: 500 mg /L resulted in less than 50% mineralization of phenol with initial TOC of 76.6 mg /L [34]. > 30% removal of TOC was achieved with addition of 2 g /L goethite catalyst and ferrous salt in a weight ratio of 1: 0.22 per 100 mg /L of phenol in our research in less than 100 min. It can be depicted from the observed result that, the kinetic rate and mineralization greatly depend on initial concentration of hydrogen peroxide. The degradation rate of hydrogen peroxide maintains a linear correlation with mineralization of phenol. Fig. 4 represents the degradation and mineralization trend for various ratios of initial phenol concentration to hydrogen peroxide concentration.

Bottom Line: The efficiency of phenol degradation via Fenton reaction using mixture of heterogeneous goethite catalyst with homogeneous ferrous ion was analyzed as a function of three independent variables, initial concentration of phenol (60 to 100 mg /L), weight ratio of initial concentration of phenol to that of H2O2 (1: 6 to 1: 14) and, weight ratio of initial concentration of goethite catalyst to that of H2O2 (1: 0.3 to 1: 0.7).Two separate models were developed using artificial neural networks to predict degradation percentage by a combination of Fe3+ and Fe2+ catalyst.Satisfactory agreement was observed between testing data and the predicted values (R2Phenol = 0.9214 and R2TOC= 0.9082).

View Article: PubMed Central - PubMed

Affiliation: Department of Chemical Engineering, Faculty of Engineering, University of Malaya,50603 Kuala Lumpur, Malaysia.

ABSTRACT
The efficiency of phenol degradation via Fenton reaction using mixture of heterogeneous goethite catalyst with homogeneous ferrous ion was analyzed as a function of three independent variables, initial concentration of phenol (60 to 100 mg /L), weight ratio of initial concentration of phenol to that of H2O2 (1: 6 to 1: 14) and, weight ratio of initial concentration of goethite catalyst to that of H2O2 (1: 0.3 to 1: 0.7). More than 90 % of phenol removal and more than 40% of TOC removal were achieved within 60 minutes of reaction. Two separate models were developed using artificial neural networks to predict degradation percentage by a combination of Fe3+ and Fe2+ catalyst. Five operational parameters were employed as inputs while phenol degradation and TOC removal were considered as outputs of the developed models. Satisfactory agreement was observed between testing data and the predicted values (R2Phenol = 0.9214 and R2TOC= 0.9082).

No MeSH data available.