Two-phase system model to predict hydrophobic organic compound partition to heterogeneous soil dissolved organic...

Soil dissolved organic matter (SDOM) is an important part of the DOM pool in terrestrial systems, influencing the transport and fate of many pollutants. In this study, SDOMs from different regions across China were compared by a series of spectroscopic methods, including UV-vis spectroscopy, fluorescence spectroscopy, and Fourier transform infrared (FTIR) spectroscopy, and the hydrophobicity was quantified by partition coefficients of SDOM in the aqueous two-phase system (K_ATPS). The molecular weight, aromaticity, and hydrophobicity of SDOM from different regions exhibited strong heterogeneity, K_ATPS combined with UV-vis and fluorescence indices can be readily used for differentiating heterogeneous SDOM, and SDOMs were compositionally and structurally different from DOMs in aquatic systems based on spectral characterization. Importantly, the two-phase system (TPS) model has only been validated by DOMs in freshwater systems, and good organic carbon‒water partition coefficient (K_OC) predictive power (RMSE = 0.11) could be provided by the TPS model when applied to heterogeneous SDOM without calibration, showing its broad applicability. Our results demonstrate the applicability of the TPS model for predicting the sorption behavior of terrestrial DOM, broadening the application scope of the TPS model and indicating its potential as a routine model for the risk assessment of hydrophobic organic compounds (HOCs) in organic contaminated sites.