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Chemosphere

Title:		Modelling and parameter estimation of diethyl phthalate partitioning behaviour on glass and aluminum surfaces
Author(s):		Da Ros S; Curran K;
Address:		"UCL Institute for Sustainable Heritage, University College London, 14 Upper Woburn Place, London, WC1H 0NN, United Kingdom. Electronic address: s.ros@ucl.ac.uk. UCL Institute for Sustainable Heritage, University College London, 14 Upper Woburn Place, London, WC1H 0NN, United Kingdom. Electronic address: k.curran@ucl.ac.uk"
Journal Title:		Chemosphere
Year:		2021
Volume:		20210703
Issue:
Page Number:		131414 -
DOI:		10.1016/j.chemosphere.2021.131414
ISSN/ISBN:		1879-1298 (Electronic) 0045-6535 (Linking)
Abstract:		"The knowledge of the partitioning behaviour of semi-volatile organic compounds (SVOCs), such as phthalates, between different materials and their surrounding air is of extreme importance for quantifying levels of human exposure to these compounds, which have been associated with adverse health effects. Phthalates' partitioning behaviour also represents a key property for modelling and assessing polymer degradation mechanisms associated with plasticiser loss. However, the characterisation of phthalates partitioning behaviour has been reported only for a limited number of compounds, mainly involving di-2-ethylhexyl phthalate (DEHP), di-isononyl phthalate (DINP) and di-isodecyl phtahalate (DIDP), while the characterisation of diethyl phthalate (DEP) partitioning has been overlooked. As one of the first plasticisers employed in the production of semi-synthetic plastics produced industrially in the late 19th and early 20th century, DEP plays an important role for understanding stability issues associated with historically significant artefacts in museum collections and archives. Here we show that the partitioning behaviour of DEP between borosilicate glass and aluminum surfaces and their surrounding air can be described by an exponential function of temperature, presenting a model to describe this relationship for the first time. Model parameters are estimated using nonlinear regression from experimental measurements acquired using 109 samples which have been equilibrated at different temperatures between 20 and 80 degrees C in sealed environments. Measured partition coefficients have been predicted accurately by our proposed model. The knowledge of DEP equilibrium distribution between adsorptive surfaces and neighbouring environments will be relevant for developing improved mathematical descriptions of degradation mechanisms related to plasticiser loss"
Keywords:		Aluminum *Diethylhexyl Phthalate Humans *Phthalic Acids Plasticizers *Volatile Organic Compounds Building materials Diethyl phthalate Parameter estimation Partition coefficient Phthalates adsorption;
Notes:		"MedlineDa Ros, Simoni Curran, Katherine eng England 2021/07/16 Chemosphere. 2021 Dec; 285:131414. doi: 10.1016/j.chemosphere.2021.131414. Epub 2021 Jul 3"