A generic emission model to predict release of organic substances from materials in consumer goods

Organic chemicals may be released when consumer goods are used, contributing to environmental and human levels of potentially hazardous chemicals. A generic model was developed to predict emissions of organic chemicals from various materials in consumer products. The model involved three modules, which each predict a key parameter needed to calculate the mass of individual chemicals emitted. Partition coefficients between a material and the surrounding air were predicted using Abraham solvation parameters, diffusion coefficients in materials were calculated using the Piringer equation, and convective mass transfer coefficients were evaluated by applying the Chilton-Colburn analogy. The calculated emission rates from predicted parameters were evaluated and agreed well with literature data. The release of plasticizers from vinyl flooring used in Sweden was calculated to demonstrate the utility of the generic model. The estimated emitted masses of di(2-ethylhexyl)phthalate (DEHP), di-iso-nonylphthalate (DINP), and 1,2-cyclohexanedicarboxylic acid di-iso-nonyl ester (DINCH) in 2012 were 210 kg, 40 kg, and 3.6 kg respectively. Emissions from vinyl flooring were estimated for the period 1990 to 2035 and it was shown that the recent substitution of DEHP with DINP will help to reduce plasticizer emissions. Model calculations for alternative plasticizers revealed that DINCH would yield similar emissions to DINP, whereas use of diethyl hexyl-iso-sorbide or diethyl hexyl adipate would result in higher emissions.

Highlights► A generic model was developed to predict release of organic chemicals from articles. ► The model includes three predictive modules: partition, diffusion, and convection. ► Partition coefficients were predicted using Abraham solvation parameters. ► The predicted emission rates agreed well with literature data. ► The model's utility was demonstrated by estimation of an economy-wide emission.