Long-range atmospheric transport of three toxaphene congeners across Europe. Modeling by chained single-box FATEMOD program

Abstract

For assessment of the risk of environmental damages, chemical fate determination is an essential tool for chemical control, e.g., for EU following the REACH rules. The present conclusion of applicability of the chained single-box multimedia modeling can be validated by further studies using analyses of emissions and target biota in various other cases. To achieve useful results, fate models built with databases having automatic steps for most calculations and outputs accessible to all chemical control professionals are essential. Our FATEMOD program catchments at environments and compound properties listed in the database represent a feasible tool for local, regional, and, according our present test results, for global exposure predictions. As an extended use of model, emission estimates can be achieved by reversed modeling from analysis results of samples corresponding to the target area.

Using quantitative structural property relationships, chemical fate models, and the chemical partitioning space to investigate the potential for long range transport and bioaccumulation of complex halogenated chemical mixtures

“…Either the focus is on the mixture as a whole and differences in the behavior of individual constituents are ignored [3][4][5][6][7][8][9][10][11][12][13] or a few components within the mixture are selected to represent the entire set. [14][15][16][17][18][19][20] Modeling studies of such compounds are faced with the challenge to select chemical properties that appropriately represent the entire mixture. When properties are available for individual constituents, average or median values can be selected; otherwise the most reliable experimental values for the entire mixture can be used.…”

“…Alternatively, modeling studies have selected a few components and their properties to represent the mixture. 12,15,17,19,20,23,24 In empirical studies (summarized in ref. 4-7 and 25-27) the whole mixture approach typically comprises the comparison of known amounts in commercial mixture standards with those in environmental samples.…”

A fugacity model assessment of ibuprofen, diclofenac, carbamazepine, and their transformation product concentrations in an aquatic environment

“…For sediment-water transport flows and sediment organic carbon content (6%), parameters by Paasivirta et al ( 2009 ) were used. The role of dissolved organic material (DOM) has been reported (Kukkonen and Oikari 1991 ), but was left unexplored since bioavailability was not the target of this work.…”

“…In the present work, a new version of FATEMOD (Paasivirta et al 2009 ), an environmental fate model based on Mackay’s models, was set up to inspect pharmaceutical levels in northern Lake Päijänne, central Finland, reported by Lindholm-Lehto et al ( 2015 ). Three pharmaceuticals with notable environmental levels, anti-inflammatories ibuprofen (IBU) and diclofenac (DCF), and antiepileptic carbamazepine (CBZ) were selected for modelling, primarily targeting the two sampling sites with most data available, the so-called sites 1 and 4.…”

Modeling the overall persistence and environmental mobility of sulfur-containing polychlorinated organic compounds

“…In consequence, their significant concentrations can be detected in abiotic and biotic compartments of areas distant from the sources of release, e.g., in the Arctic region (Paasivirta et al 2009). The global distribution of these pollutants, combined with their ubiquity in all environmental constituents, as well as persistence, bioaccumulation potential and toxicity, has led to the anxiety for humans' health and natural ecosystems' condition (Wu et al 2008).…”