title: Linear solvation energy relationships regarding sorption and retention properties of hydrophobic organic compounds in soil leaching column chromatography.
abstract: 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.
authors.affiliation: Dalian Institute of Chemical Physics, Chinese Academy of Sciences. fengxu64@hotmail.com
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
authors.forename: Fan
authors.initials: F
authors.lastname: Su
authors.forename: Karl-Werner
authors.initials: KW
authors.lastname: Schramm
authors.forename: Antonius
authors.initials: A
authors.lastname: Kettrup
mesh_terms: D000327:Adsorption; D002853:Chromatography, Liquid; D004785:Environmental Pollutants / Q000032:analysis*; D008962:Models, Theoretical; D009930:Organic Chemicals; D012995:Solubility; D012997:Solvents / Q000737:chemistry*
chemical_list: D004785:Environmental Pollutants; D009930:Organic Chemicals; D012997:Solvents