Multiple linear regression based congener profile correlation to estimate the toxicity (TEQ) and dioxin concentration in atmospheric emissions

Palmer, Damià; Pou, J.O.; González-Sabaté, Lucinio

doi:10.1016/j.scitotenv.2017.11.344

Cited by 11 publications

(10 citation statements)

References 34 publications

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“…The data set called X NEW has been used to evaluate the linear dependence between all congeners using the variance inflation factors (VIFs). This methodology has been explained in a previous publication [29]. It is expected that the more independent congeners are similar for both datasets, X NEW and X OLD .…”

Section: Methodsmentioning

confidence: 99%

“…The left half side of the table reflects the VIFs and the associated value of R 2 of the 17 congeners from both datasets X OLD and X NEW . The right half side of the table, which is used for comparison purposes only, reflects the same parameters but only using X OLD [29].…”

Section: Methodsmentioning

confidence: 99%

“…As a result, two models able to determine the total PCDD/F amount and the TEQ of a sample using only the amount of three congeners were adjusted. This dataset, using the decimal logarithm of the values, was named as X OLD matrix (130 × 17) since it was used in a previous publication [29].…”

Section: Data Sourcesmentioning

confidence: 99%

“…Results for VIFs of each congener calculated sequentially, discarding the most linearly dependent congener after each iteration. The left half shows the results for both datasets mixed together (X OLD + X NEW ) and the right half shows the results from X OLD as a comparison [29]. Two previous models capable of determining the dioxins total amount and toxicity (TEQ) of an atmospheric emission based on the concentration of 1,2,3,6,7,8-HxCDD, OCDF and 2,3,7,8-TCDF which have been tested with the dataset X NEW,INT .…”

Section: Multicollinearity and Vifsmentioning

confidence: 99%

“…A critical consideration during the optimization of the model is reducing the number of simulated chemical species. Specifically, the objective of this study is to update and refine two previously published models [29] in order to increase the scale and the sources of data: From only industrial processes, to both industrial and laboratory thermal decomposition processes. These models are capable of determining the dioxins total amount and toxicity of an atmospheric emission using only the amount of three congeners as regressors.…”

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confidence: 99%

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New Models Used to Determine the Dioxins Total Amount and Toxicity (TEQ) in Atmospheric Emissions from Thermal Processes

et al. 2019

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In order to reduce the calculation effort during the simulation of the emission of polychlorinated dibenzo-p-dioxins and furans (PCDD/F) during municipal solid waste incineration, minimizing the number of simulated components is mandatory. For this purpose, two new multilinear regression models capable of determining the dioxins total amount and toxicity of an atmospheric emission have been adjusted based on previously published ones. The new source of data used (almost 200 PCDD/F analyses) provides a wider range of application to the models, increasing also the diversity of the emission sources, from industrial and laboratory scale thermal processes. Only three of the 17 toxic congeners (1,2,3,6,7,2,3,7,, whose formation was found to be linearly independent, were necessary as inputs for the models. All model parameters have been statistically validated and their confidence intervals have been calculated using the Bootstrap method. The resulting coefficients of determination (R 2 ) for the models are 0.9711 ± 0.0056 and 0.9583 ± 0.0085; its root mean square errors (RMSE) are 0.2115 and 0.2424, and its mean absolute errors (MAE) are 0.1541 and 0.1733 respectively.Energies 2019, 12, 4434 2 of 11 eight chlorine atoms in eight different places on the molecule. This combination of number of chlorines and places results in an extensive family of molecules, where each molecule is called a congener.Combustion processes emit PCDD/Fs as a mixture of up to 210 congeners, of which only 10 dioxins and 7 furans are considered to be toxic and thus most frequently analysed. In order to evaluate the impact of atmospheric emissions, the most common approach is to calculate the amount of toxic equivalents (TEQs) according to NATO/CCMS (North Atlantic Treaty Organization/Committee on the Challenges of Modern Society) [5]. This criterion uses toxic equivalency factors (TEFs) that proportionally modify the amount of each congener considering the most toxic one (2,3,7,8-TCDD) as the reference (unity factor). Despite the fact that TEFs have been questioned [6,7] and updated [8], the International Toxicity Equivalency Factors (I-TEFs) [9] prevail internationally, since most regulations for atmospheric emissions refer to them [10].Despite the fact that the emission of PCDD/F has been related to industrial processes and human activity, some authors highlight the contribution of forest fires to the total emission of PCDD/Fs [11]. Several studies have been published on the formation of PCDD/F during the combustion of biomass and e-waste [12], demolition and construction wood [13], viscoelastic memory foam [14], furniture [15] and many other different residues. A publication addressing the emissions of a cement production plant [16] determined that, focusing on the distribution of the congeners of their samples, no big differences were observed among their emissions despite the fuel used in the kiln. The formation of PCDD/Fs from MSW incineration showed a strong interdependence with phenols, chlorinated benzenes and other precursors [17]. Thi...

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Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Section: Data Sourcesmentioning

confidence: 99%

Section: Multicollinearity and Vifsmentioning

confidence: 99%

mentioning

confidence: 99%

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