Comment on 'Prediction of Soil Sorption Coefficients Using Model Molecular Structures for Organic Matter and the Quantum Mechanical COSMO-SAC Model'

摘要

In their article, Phillips et al. present what they term "[a] new method … to predict K_(OC) [organic carbon normalized soil-water equilibrium partition coefficient] for nonionic organic compounds that requires only molecular structures. No calibration is performed.'' The authors go on to state that "[t]he experimental K_(OC) data set …was used to evaluate the accuracy of the Kqc predictions. This data set contains K_(OC) values for 440 nonionic organic compounds, some of which represent averages of measured K_(OC) values from multiple soil and sediment types and different studies."