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Linear solvation energy relationship of the limiting partition coefficient of organic solutes between water and activated carbon

Environmental Science and Technology

By:
, , , ,
DOI: 10.1021/es950200o

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Abstract

A linear solvation energy relationship has been found for 353 values of the limiting adsorption coefficients of diverse chemicals:  log K = −0.37 + 0.0341Vi − 1.07β + D + 0.65P with R = 0.951, s = 0.51, n = 353, and F = 818.0, where Vi is the intrinsic molar volume; β is a measure of the hydrogen bond acceptor strength of the solute; D is an index parameter for the research group which includes the effects of the different types of carbon used, the temperature, and the length of time allowed for the adsorption equilibrium to be established; and P is an index parameter for the flatness of the molecule. P is defined to be unity if there is an aromatic system in the molecule or if there is a double bond or series of conjugated double bonds with no more that one non-hydrogen atom beyond the double bond and zero otherwise. A slightly better fit is obtained if the two-thirds power of Vi is used as a measure of the surface area in place of the volume term:  log K = −1.75 + 0.227V2/3 − 1.10β + D + 0.60P with R = 0.954, s = 0.49, n = 353, and F = 895.39. This is the first quantitative measure of the effect of the shape of the molecule on its tendency to be adsorbed on activated carbon.

Additional Publication Details

Publication type:
Article
Publication Subtype:
Journal Article
Title:
Linear solvation energy relationship of the limiting partition coefficient of organic solutes between water and activated carbon
Series title:
Environmental Science and Technology
DOI:
10.1021/es950200o
Volume
30
Issue:
1
Year Published:
1995
Language:
English
Publisher:
ACS PUblications
Publisher location:
Washington, D.C.
Contributing office(s):
Great Lakes Science Center
Description:
10 p.
Larger Work Type:
Article
Larger Work Subtype:
Journal Article
Larger Work Title:
Environmental Science and Technology
First page:
143
Last page:
152