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Linear solvation energy relationships regarding sorption and retention properties of hydrophobic organic compounds in soil leaching column chromatography; Linear solvation energy relationships regarding sorption and retention properties of hydrophobic organic compounds in soil leaching column chromatography
Xu, F; Liang, XM; Lin, BC; Su, F; Schramm, KW; Kettrup, A
KeywordLinear Solvation Energy Relationships Linear Solvation Energy Relationships Soil Leaching Column Chromatography Soil Leaching Column Chromatography Soil Organic Partition Coefficient Soil Organic Partition Coefficient Capacity Factor Capacity Factor Solvatochromic Parameter Solvatochromic Parameter
Source PublicationCHEMOSPHERE ; CHEMOSPHERE
2002-08-01 ; 2002-08-01
Volume48Issue:5Pages:553-562
Indexed BySCI ; SCI
SubtypeArticle ; Article
WOS HeadingsScience & Technology ; Science & Technology ; Life Sciences & Biomedicine ; Life Sciences & Biomedicine
WOS SubjectEnvironmental Sciences ; Environmental Sciences
WOS Research AreaEnvironmental Sciences & Ecology ; Environmental Sciences & Ecology
WOS KeywordPERFORMANCE LIQUID-CHROMATOGRAPHY ; PERFORMANCE LIQUID-CHROMATOGRAPHY ; SOLVATOCHROMIC COMPARISON METHOD ; SOLVATOCHROMIC COMPARISON METHOD ; WATER PARTITION-COEFFICIENTS ; WATER PARTITION-COEFFICIENTS ; 8 PESTICIDES ; 8 PESTICIDES ; K-OC ; K-OC ; PREDICTION ; PREDICTION ; SOLUBILITY ; SOLUBILITY ; CHEMICALS ; CHEMICALS ; BEHAVIOR ; BEHAVIOR ; SOLUTES ; SOLUTES
AbstractThe 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.; 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.
Language英语 ; 英语
URL查看原文 ; 查看原文
WOS IDWOS:000176811400008 ; WOS:000176811400008
Citation statistics
Cited Times:5[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/85471
Collection中国科学院大连化学物理研究所
Affiliation1.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
GB/T 7714
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, Linear solvation energy relationships regarding sorption and retention properties of hydrophobic organic compounds in soil leaching column chromatography[J]. CHEMOSPHERE, CHEMOSPHERE,2002, 2002,48, 48(5):553-562, 553-562.
APA Xu, F,Liang, XM,Lin, BC,Su, F,Schramm, KW,&Kettrup, A.(2002).Linear solvation energy relationships regarding sorption and retention properties of hydrophobic organic compounds in soil leaching column chromatography.CHEMOSPHERE,48(5),553-562.
MLA Xu, F,et al."Linear solvation energy relationships regarding sorption and retention properties of hydrophobic organic compounds in soil leaching column chromatography".CHEMOSPHERE 48.5(2002):553-562.
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