Soil Organic Partition Coefficient Research Articles

Estimation of soil organic partition coefficients: from retention factors measured by soil column chromatography with water as eluent

The retention factors ( k) of 104 hydrophobic organic chemicals (HOCs) were measured in soil column chromatography (SCC) over columns filled with three naturally occurring reference soils and eluted with Milli-Q water. A novel method for the estimation of soil organic partition coefficient ( K oc) was developed based on correlations with k in soil/water systems. Strong log K oc versus log k correlations ( r>0.96) were found. The estimated K oc values were in accordance with the literature values with a maximum deviation of less than 0.4 log units. All estimated K oc values from three soils were consistent with each other. The SCC approach is promising for fast screening of a large number of chemicals in their environmental applications.

Linear solvation energy relationships regarding sorption and retention properties of hydrophobic organic compounds in soil leaching column chromatography.

The capacity factors of a series of hydrophobic organic compounds (HOCs) were measured in soil leaching column chromatography (SLCC) on a soil column, and in reversed-phase liquid chromatography on a C18 column with different volumetric fractions (phi) of methanol in methanol-water mixtures. A general equation of linear solvation energy relationships, log(XYZ) XYZ0 + mV(I)/100 + spi + bbetam + aalpham, was applied to analyze capacity factors (k'), soil organic partition coefficients (Koc) and octanol-water partition coefficients (P). The analyses exhibited high accuracy. The chief solute factors that control logKoc, log P, and logk' (on soil and on C18) are the solute size (V(I)/100) and hydrogen-bond basicity (betam). Less important solute factors are the dipolarity/polarizability (pi*) and hydrogen-bond acidity (alpham). Log k' on soil and log Koc have similar signs in four fitting coefficients (m, s, b and a) and similar ratios (m:s:b:a), while log k' on C18 and logP have similar signs in coefficients (m, s, b and a) and similar ratios (m:s:b:a). Consequently, logk' values on C18 have good correlations with logP (r > 0.97), while logk' values on soil have good correlations with logKoc (r > 0.98). Two Koc estimation methods were developed, one through solute solvatochromic parameters, and the other through correlations with k' on soil. For HOCs, a linear relationship between logarithmic capacity factor and methanol composition in methanol-water mixtures could also be derived in SLCC.

Prediction of soil organic partition coefficients by a soil leaching column chromatographic method.

The soil organic partition coefficient (Koc) is one of the most important parameters to depict the transfer and fate of a chemical in the soil-water system. Predicting Koc by using a chromatographic technique has been developing into a convenient and low-cost method. In this paper, a soil leaching column chromatograpy (SLCC) method employing the soil column packed with reference soil GSE 17201 (obtained from Bayer Landwirtschaftszentrum, Monheim, Germany) and methanol-water eluents was developed to predict the Koc of hydrophobic organic chemicals (HOCs), over a log Koc range of 4.8 orders of magnitude, from their capacity factors. The capacity factor with water as an eluent (k'w) could be obtained by linearly extrapolating capacity factors in methanol-water eluents (k'w) with various volume fractions of methanol (symbol in text). The important effects of solute activity coefficients in water on k'w and Koc were illustrated. Hence, the correlation between log Koc and log k'w (and log k') exists in the soil. The correlation coefficient (r) of the log Koc vs. log k'w correlation for 58 apolar and polar compounds could reach 0.987, while the correlation coefficients of the log Koc -log k' correlations were no less than 0.968, with (symbol in text)ranging from 0 to 0.50. The smaller the (symbol in text), the higher the r. Therefore, it is recommended that the eluent of smaller (symbol in text), such as water, be used for accurately estimating Koc. Correspondingly, the r value of the log Koc -log k'w correlation on a reversed-phase Hypersil ODS (Thermo Hypersil, Kleinostheim, Germany) column was less than 0.940 for the same solutes. The SLCC method could provide a more reliable route to predict Koc indirectly from a correlation with k'w than the reversed-phase liquid chromatographic (RPLC) one.

Soil column chromatography for correlation between capacity factors and soil organic partition coefficients for eight pesticides

A soil column chromatographic method was developed to measure the capacity factors ( k′) of pesticides, in which soil acted as a stationary phase and methanol-water mixture as an eluent. The k′ values of eight pesticides, including three insecticides (methiocarb, azinphos-methyl, fenthion), four fungicides (triadimenol, fuberidazole, tebuconazole, pencycuron), and one herbicide (atrazine), were found to be well fitted to a retention equation, ln k′ = ln k′ w- Sθ. Due to similar interactions of solutes with soil and solvent in both sorption determination and retention experiment, log k′ has a good linear correlation with log K oc for the eight pesticides from different classes, in contrast with poor correlation between log k′ from C 18 column and log K oc. So the method provides a tool for rapid estimation K oc from experimental k′.

A column method for determination of soil organic partition coefficients of eight pesticides

A column method was developed to conveniently and reliably determine the soil organic partition coefficients (K oc) of three insecticides (methiocarb, azinphos-methyl, fenthion), four fungicides (triadimenol, fuberidazole, tebuconazole, pencycuron), and one herbicide (atrazine), in which real soil acted as a stationary phase and the water solution of pesticide as au eluent. The processes of sorption equilibrium were directly shown through a breakthrough curve(BTC). The log K oc values are l.69, 1.95, 2.25, 2.55, 2.69, 2.67, 3.10, and 3.33 for atrazine, triadimenol, methiocarb, fuberidazole, azinphos-methyl, tebuconazole, fenthion and pencycuron, respectively.