UCL Discovery
UCL home » Library Services » Electronic resources » UCL Discovery

Modelling and parameter estimation of diethyl phthalate partitioning behaviour on glass and aluminum surfaces

Da Ros, S; Curran, K; (2021) Modelling and parameter estimation of diethyl phthalate partitioning behaviour on glass and aluminum surfaces. Chemosphere , 285 , Article 131414. 10.1016/j.chemosphere.2021.131414. Green open access

[thumbnail of Accepted Manuscript.pdf]
Preview
Text
Accepted Manuscript.pdf - Accepted Version

Download (1MB) | Preview

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 °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.

Type: Article
Title: Modelling and parameter estimation of diethyl phthalate partitioning behaviour on glass and aluminum surfaces
Open access status: An open access version is available from UCL Discovery
DOI: 10.1016/j.chemosphere.2021.131414
Publisher version: http://dx.doi.org/10.1016/j.chemosphere.2021.13141...
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions.
Keywords: Diethyl phthalate, Partition coefficient, Phthalates adsorption, Building materials, Parameter estimation
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of the Built Environment
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of the Built Environment > Bartlett School Env, Energy and Resources
URI: https://discovery.ucl.ac.uk/id/eprint/10130662
Downloads since deposit
19Downloads
Download activity - last month
Download activity - last 12 months
Downloads by country - last 12 months

Archive Staff Only

View Item View Item