Dependence of persistence and long-range transport potential on gas-particle partitioning in multimedia models.
نویسندگان
چکیده
A novel approach of modeling gas-particle partitioning using polyparameter linear free energy relationships (ppLFERs) is implemented into three different multimedia box models (the OECD Pov and LRTP screening tool (The Tool), ChemRange, and CliMoChem) and compared to approaches based on the octanol-air partition coefficient (K(OA)). In all three multimedia models, calculated overall persistence is not strongly influenced (differences < 3%) by the gas-particle partitioning approach selected. The long-range transport potential (LRTP) is more sensitive to the choice of the gas-particle partitioning model. In CliMoChem, the LRTP of polar chemicals is higher if the ppLFER gas-particle partitioning approach is applied, with differences up to a factor of 2. Modeled concentrations of polar chemicals in Arctic air are also higher in the ppLFER version of CliMoChem. The model results obtained with the ppLFER approach are in good agreement with measured concentrations of alpha-HCH, methoxychlor, and trifluralin in Arctic air, whereas results from the K(OA)-based version of the model are in some cases lower by a factor of 10-100. If the required chemical property data are available, the ppLFER approach holds considerable potential to improve the gas-particle partitioning description for polar chemicals in multimedia models.
منابع مشابه
Estimating overall persistence and long-range transport potential of persistent organic pollutants: a comparison of seven multimedia mass balance models and atmospheric transport models.
Two different approaches to modeling the environmental fate of organic chemicals have been developed in recent years. The first approach is applied in multimedia box models, calculating average concentrations in homogeneous boxes which represent the different environmental media, based on intermedia partitioning, transport, and degradation processes. In the second approach, used in atmospheric ...
متن کاملApplication of multimedia models for screening assessment of long-range transport potential and overall persistence.
We propose a multimedia model-based methodology to evaluate whether a chemical substance qualifies as POP-like based on overall persistence (Pov) and potential for long-range transport (LRTP). It relies upon screening chemicals against the Pov and LRTP characteristics of selected reference chemicals with well-established environmental fates. Results indicate that chemicals of high and low conce...
متن کاملComputational Techniques Application in Environmental Exposure Assessment
In this chapter, the application of computational techniques in environmental exposure assessment was described. The most important groups of these techniques are Multimedia Mass-balance (MM) modelling and Quantitative Structure-Activity/Structure-Property Relationships (QSAR/QSPR) modelling. Multimedia Mass-balance models have been widely utilized for studying Long-Range Transport Potential (L...
متن کاملGas/particle partitioning and global distribution of polycyclic aromatic hydrocarbons--a modelling approach.
The global atmospheric distribution and long-range transport (LRT) potential of three polycyclic aromatic hydrocarbons (PAH) - anthracene, fluoranthene and benzo[a]pyrene - are studied. The model used is a global aerosol-chemistry-transport-model, which is based on an atmospheric general circulation model. The model includes an in-built dynamic aerosol model coupled to two-dimensional surface c...
متن کاملMulticompartmental fate of persistent substances. Comparison of predictions from multi-media box models and a multicompartment chemistry-atmospheric transport model.
BACKGROUND, AIM AND SCOPE Modelling of the fate of environmental chemicals can be done by relatively simple multi-media box models or using complex atmospheric transport models. It was the aim of this work to compare the results obtained for both types of models using a small set of non-ionic and non-polar or moderately polar organic chemicals, known to be distributed over long distances. MAT...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید
ثبت ناماگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید
ورودعنوان ژورنال:
- Environmental science & technology
دوره 42 10 شماره
صفحات -
تاریخ انتشار 2008