Framework of Key Coefficients to Provide Guidance on Modeling to Avoid Environmental Disasters

Abstract

Industrial contamination events have repeatedly demonstrated the consequences of mischaracterizing contaminant behavior and exposure pathways in environmental systems. Despite advances in modeling tools, decision-making errors often arise from incomplete understanding of contaminant fate and transport. This study presents a structured screening framework based on eight key physicochemical coefficients that govern the behavior of chemical contaminants in air, water, and soil systems. The identified parameters, partition coefficients ( K o w and K o c ), Henry’s law constant, aqueous solubility, hydrolysis rate, acid dissociation constant (pKa), flash point, and biodegradation potential, collectively characterize volatility, mobility, persistence, and phase distribution. By systematically evaluating these coefficients before selecting modeling approaches, the framework enables identification of dominant transport mechanisms and likely exposure pathways, reducing the risk of inappropriate model selection and misinterpretation of environmental risk. The proposed methodology integrates contaminant properties with environmental media interactions to support more defensible engineering assessments and improve disaster prevention strategies. Application of the framework demonstrates how early-stage screening can clarify whether contaminants are likely to remain localized, migrate through groundwater, volatilize into the atmosphere, or persist in sediments, thereby guiding monitoring, mitigation, and remediation planning. This framework can be used as a useful tool to strengthen risk assessment processes and enhancing resilience against future chemical contamination events.