Precise source identification of coal chemical water (CCW) pollution is crucial for unraveling contaminant transport and developing effective remediation strategies. While conventional fluorescent fingerprint technology provides accurate source recognition, it remains constrained by existing databases. Here, this study proposes a molecular fingerprint concentration method, achieving source discrimination through correlation profiling of source-terminal waters. The method was applied to trace 16 priority PAHs and 4 derivatives in the upper and middle reaches of the Yellow River Basin. Results indicated that PAH concentrations ranged from 3.96 to 4160 ng L-1, whereas derivatives concentrations varied between 1.34 and 9420 ng L-1. Spatial-temporal variations were significant but independent of water quality parameters such as pH and temperature. While PAH pollution generally posed low risks, specific areas exhibited elevated levels, necessitating targeted mitigation strategies. Molecular fingerprint concentration analysis revealed a strong correlation (R2 > 0.8) between CCW and surface water, confirming that wastewater is a major contributor to PAH pollution. However, modest correlations (0.8 >R2 > 0.6) between CCW and source/tap water indicated a more constrained impact. This analysis successfully tracked CCW as a pollution source, provides critical data for industrial optimization, and advances contaminant source tracking methodologies.
Keywords: Coal chemical industry; Molecular fingerprint; Polycyclic aromatic hydrocarbons; Source identification; Yellow River Basin.
Copyright © 2025. Published by Elsevier Ltd.