title: Retention equations of nonionic organic chemicals in soil column chromatography with methanol-water eluents.
abstract: Research efforts dealing with chemical transportation in soils are needed to prevent damage to ground water. Methanol-containing solvents can increase the translocation of nonionic organic chemicals (NOCs). In this study, a general log-linear retention equation, log k' = log k'w - Sphi (Eq. [1]), was developed to describe the mobilities of NOCs in soil column chromatography (SCC). The term phi denotes the volume fraction of methanol in eluent, k' is the capacity factor of a solute at a certain phi value, and log k'w and -S are the intercept and slope of the log k' vs. phi plot. Two reference soils (GSE 17204 and GSE 17205) were used as packing materials, and were eluted by isocratic methanol-water mixtures. A model of linear solvation energy relationships (LSER) was applied to analyze the k' from molecular interactions. The most important factor determining the transportation was found to be the solute hydrophobic partition in soils, and the second-most important factor was the solute hydrogen-bond basicity (hydrogen-bond accepting ability), while the less important factor was the solute dipolarity-polarizability. The solute hydrogen-bond acidity (hydrogen-bond donating ability) was statistically unimportant and deletable. From the LSER model, one could also obtain Eq. [1]. The experimental k' data of 121 NOCs can be accurately explained by Eq. [1]. The equation is promising to estimate the solute mobility in pure water by extrapolating from lower-capacity factors obtained in methanol-water mixed eluents.
authors.affiliation: Dalian Institute of Chemical Physics, Chinese Academy of Sciences, 161 Zhongshan Road, Dalian 116011, China.
authors.forename: Feng
authors.initials: F
authors.lastname: Xu
authors.forename: Xinmiao
authors.initials: X
authors.lastname: Liang
authors.forename: Bingcheng
authors.initials: B
authors.lastname: Lin
mesh_terms: D002845:Chromatography; D006860:Hydrogen Bonding; D000432:Methanol / Q000737:chemistry*; D008962:Models, Theoretical; D012989:Soil Pollutants / Q000032:analysis*; D012995:Solubility; D012997:Solvents / Q000737:chemistry*; D014873:Water Pollutants / Q000032:analysis*
chemical_list: D012989:Soil Pollutants; D012997:Solvents; D014873:Water Pollutants; D000432:Methanol