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题名: Linear solvation energy relationships regarding sorption and retention properties of hydrophobic organic compounds in soil leaching column chromatography
作者: Xu, F;  Liang, XM;  Lin, BC;  Su, F;  Schramm, KW;  Kettrup, A
关键词: linear solvation energy relationships ;  soil leaching column chromatography ;  soil organic partition coefficient ;  capacity factor ;  solvatochromic parameter
刊名: CHEMOSPHERE
发表日期: 2002-08-01
卷: 48, 期:5, 页:553-562
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Life Sciences & Biomedicine
类目[WOS]: Environmental Sciences
研究领域[WOS]: Environmental Sciences & Ecology
英文摘要: 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 C-18 column with different volumetric fractions (phi) of methanol in methanol-water mixtures. A general equation of linear solvation energy relationships, log(XYZ) = XYZ(0) + mV(1)/100 + spi* + bbeta(m) + aalpha(m), was applied to analyze capacity factors (k'), soil organic partition coefficients (K-oc) and octanol-water partition coefficients (P). The analyses exhibited high accuracy. The chief solute factors that control log K-oc, log P, and log k' (on soil and on C-18) are the solute size (V-1/100) and hydrogen-bond basicity (beta(m)). Less important solute factors are the dipolarity/polarizability (pi*) and hydrogen-bond acidity (alpha(m)). Log k' on soil and log K-oc have similar signs in four fitting coefficients (m, s, b and a) and similar ratios (m:s:b:a), while log k' on C-18 and log P have similar signs in coefficients (m, s, b and a) and similar ratios (m:s:b:a). Consequently, log k' values on C-18 have good correlations with log P (r > 0.97), while log k' values on soil have good correlations with log K-oc (r > 0.98). Two K-oc 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. (C) 2002 Elsevier Science Ltd. All rights reserved.
关键词[WOS]: PERFORMANCE LIQUID-CHROMATOGRAPHY ;  SOLVATOCHROMIC COMPARISON METHOD ;  WATER PARTITION-COEFFICIENTS ;  8 PESTICIDES ;  K-OC ;  PREDICTION ;  SOLUBILITY ;  CHEMICALS ;  BEHAVIOR ;  SOLUTES
语种: 英语
原文出处: 查看原文
WOS记录号: WOS:000176811400008
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/85471
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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作者单位: 1.Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116011, Peoples R China
2.GSF, Natl Res Ctr Environm & Hlth, Inst Ecol Chem, D-85764 Neuherberg, Germany

Recommended Citation:
Xu, F,Liang, XM,Lin, BC,et al. Linear solvation energy relationships regarding sorption and retention properties of hydrophobic organic compounds in soil leaching column chromatography[J]. CHEMOSPHERE,2002,48(5):553-562.
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