Group Contribution Method to Estimate the Biodegradability
of Organic Compounds

Spardha Jhamb; Irène Hospital; Xiaodong Liang; Francis Pilloud; Patrick M. Piccione; Georgios M. Kontogeorgis

doi:10.1021/acs.iecr.0c03759

Group Contribution Method to Estimate the Biodegradability of Organic Compounds

Spardha Jhamb, Irène Hospital, Xiaodong Liang, Francis Pilloud, Patrick M. Piccione, Georgios M. Kontogeorgis^*

^*Corresponding author for this work

Syngenta Crop Protection Münchwilen AG

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Abstract

The study of biodegradation of chemicals that are discharged into water bodies is important to determine the risk to the environment that is associated with the chemical. The biodegradability of a chemical can be characterized by conventional oxidation parameters such as biochemical oxygen demand (BOD), chemical oxygen demand (COD), and theoretical oxygen demand. Because the BOD5 estimation method takes five days, other methods have been sought for measuring oxygen requirements of a sample. One of them is the COD test which makes use of a strong oxidizing agent under acidic conditions. In this paper, a combination of BOD5 and COD experimental data is used to develop a quantitative model for the prediction of biodegradability. Furthermore, the criterion used to classify a substance as “readily biodegradable” is the one specified by the European Chemical Agency (EChA)’s CLP (Classification, Labeling, and Packaging) Regulation.

Original language	English
Journal	Industrial and Engineering Chemistry Research
Volume	59
Issue number	47
Pages (from-to)	20916-20928
ISSN	0888-5885
DOIs	https://doi.org/10.1021/acs.iecr.0c03759
Publication status	Published - 2020

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title = "Group Contribution Method to Estimate the Biodegradability of Organic Compounds",

abstract = "The study of biodegradation of chemicals that are discharged into water bodies is important to determine the risk to the environment that is associated with the chemical. The biodegradability of a chemical can be characterized by conventional oxidation parameters such as biochemical oxygen demand (BOD), chemical oxygen demand (COD), and theoretical oxygen demand. Because the BOD5 estimation method takes five days, other methods have been sought for measuring oxygen requirements of a sample. One of them is the COD test which makes use of a strong oxidizing agent under acidic conditions. In this paper, a combination of BOD5 and COD experimental data is used to develop a quantitative model for the prediction of biodegradability. Furthermore, the criterion used to classify a substance as “readily biodegradable” is the one specified by the European Chemical Agency (EChA){\textquoteright}s CLP (Classification, Labeling, and Packaging) Regulation.",

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AU - Jhamb, Spardha

AU - Hospital, Irène

AU - Liang, Xiaodong

AU - Pilloud, Francis

AU - Piccione, Patrick M.

AU - Kontogeorgis, Georgios M.

PY - 2020

Y1 - 2020

N2 - The study of biodegradation of chemicals that are discharged into water bodies is important to determine the risk to the environment that is associated with the chemical. The biodegradability of a chemical can be characterized by conventional oxidation parameters such as biochemical oxygen demand (BOD), chemical oxygen demand (COD), and theoretical oxygen demand. Because the BOD5 estimation method takes five days, other methods have been sought for measuring oxygen requirements of a sample. One of them is the COD test which makes use of a strong oxidizing agent under acidic conditions. In this paper, a combination of BOD5 and COD experimental data is used to develop a quantitative model for the prediction of biodegradability. Furthermore, the criterion used to classify a substance as “readily biodegradable” is the one specified by the European Chemical Agency (EChA)’s CLP (Classification, Labeling, and Packaging) Regulation.

AB - The study of biodegradation of chemicals that are discharged into water bodies is important to determine the risk to the environment that is associated with the chemical. The biodegradability of a chemical can be characterized by conventional oxidation parameters such as biochemical oxygen demand (BOD), chemical oxygen demand (COD), and theoretical oxygen demand. Because the BOD5 estimation method takes five days, other methods have been sought for measuring oxygen requirements of a sample. One of them is the COD test which makes use of a strong oxidizing agent under acidic conditions. In this paper, a combination of BOD5 and COD experimental data is used to develop a quantitative model for the prediction of biodegradability. Furthermore, the criterion used to classify a substance as “readily biodegradable” is the one specified by the European Chemical Agency (EChA)’s CLP (Classification, Labeling, and Packaging) Regulation.

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DO - 10.1021/acs.iecr.0c03759

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JO - Industrial and Engineering Chemistry Research

JF - Industrial and Engineering Chemistry Research

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Group Contribution Method to Estimate the Biodegradability of Organic Compounds

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