Figures (1)  Tables (1)

    • Figure 1. 

      Integrated concepts and methodologies for life cycle risk assessment of industrial chemicals synergizing industrial-environmental metabolism and key toxicant identification in mixtures.

    • Life cycle stage Current limitations Tentative solutions Remaining challenges
      Industrial metabolism • Complex industrial reactions and transformations obstruct linkage of source chemicals to terminal pollutants
      • Models assume idealized conditions, ignoring operational variability      		 • Multi-model integration to quantify material flows across sector transformations
      • Coupling molecular-scale models with intrinsic kinetics and process simulation to resolve industrial 'black boxes'      		 • Limited industrial reaction data causes prediction-reality discrepancies
      • Validation challenges in cross-scale model integration
      Environmental fate and transport • Coupled environmental transport/transformation impedes quantitative tracking of terminal pollutants
      • Existing models treat transport and transformation as separate processes      		 • Application-specific multimedia models to clarify chemical transport
      • Apply transformation models integrating reaction rules, machine learning, and experimental data for environmental metabolites      		 • No integrated frameworks for simultaneous transport-transformation modeling
      • Limited joint assessment of dynamic environmental processes
      Risk of mixtures • Traditional key toxicant identification ignores contaminant interactions, failing to capture mixture effects • Adverse Outcome Pathway (AOP) network construction for toxicity pathway elucidation
      • Quantitative AOP for key event relationships and dominant pathway probability
      • Event-driven taxonomy (EDT) for high-risk toxicant identification      		 • Limited AOP data (incomplete pathway coverage and lack of quantitative interaction data)
      • Constrained cumulative risk evaluation for complex mixtures

      Table 1. 

      Limitations, solutions, and challenges identified for enabling the life cycle management of industrial chemicals