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Global environmental fate of short-chain chlorinated paraffins: Modeling with a single vs. multiple sets of physicochemical properties

Author:
Chen, Chengkang, Li, Li, Liu, Junzhou, Liu, Jianguo
Source:
The Science of the total environment 2019 v.666 pp. 423-430
ISSN:
0048-9697
Subject:
alkanes, cold, cold zones, emissions, environmental factors, environmental fate, environmental models, risk, temperature, Arctic region
Abstract:
While short-chain chlorinated paraffins (SCCPs) comprise a myriad of components whose physicochemical properties are extremely diverse, many previous studies characterized the SCCP mixtures collectively using a single set of physicochemical properties when modeling the global environmental fate and risk. In this work, we explore whether a discrepancy exists between simulations based on a single set of physicochemical properties and multiple component-specific ones in global fate and risk modeling, and the environmental condition (e.g., proximity to emission source vs. temperature) in which such a discrepancy is most notable. We simulated the environmental concentrations and compartmental distribution of SCCPs, using a mechanistic fugacity-based multimedia BETR-Global model. We observed a discrepancy between modeled concentrations based on a single and multiple sets of properties, which is more notable in regions with a low temperature and negligible emissions, e.g., the remote and cold background Arctic region. The modeled compartmental distribution differs slightly between simulations based on different sets of physicochemical properties. While using a single set of properties minimizes input data required for model-based evaluation of the risk of SCCPs, it tends to underestimate the environmental occurrence and risk in remote and cold regions, which are vulnerable and hence deserve a more conservative evaluation conclusion, and prevents us from drawing conclusions on which SCCP component is of greatest concern. The current work can be a relevant step towards improving the methodology for global environmental modeling and risk assessment of SCCPs and other complex halogenated chemical mixtures.
Agid:
6307138