Retention of Neutral Organic Compounds From Solution on Carbon Adsorbents

Poole, Salwa K.; Poole, Colin F.

doi:10.1039/a704177b

Cited by 45 publications

(21 citation statements)

References 32 publications

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“…The coefficients in eq 6 are found by multiple linear regression analysis, using a set of solutes for which the descriptors are known. There are numerous applications of eq 6 to physicochemical properties, both by ourselves [28][29][30][31][32][33][34][35][36][37][38][39][40][41][42][43][44][45][46][47] and by other workers, [48][49][50][51][52][53][54][55][56][57][58][59] so that eq 6 can be regarded as a well-established general equation. Tables 2 and 3 in ref 7.…”

Section: Methodsmentioning

confidence: 99%

The correlation and prediction of the solubility of compounds in water using an amended solvation energy relationship

Abraham

1999

Journal of Pharmaceutical Sciences

297

162

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The aqueous solubility of liquids and solids, as log S(W), has been correlated with an amended solvation equation that incorporates a term in Sigma alpha(2)(H) x Sigma beta(2)(H), where the latter are the hydrogen bond acidity and basicity of the solutes, respectively. Application to a training set of 594 compounds led to a correlation equation with a standard deviation, SD, of 0.56 log units. For a test set of 65 compounds, the SD was 0.50 log units, and for a combined correlation equation for 659 compounds, the SD was 0.56 log units. The correlation equations enable the factors that influence aqueous solubility to be revealed. The hydrogen-bond propensity of a compound always leads to an increase in solubility, even though the Sigma alpha(2)(H) x Sigma beta(2)(H) term opposes solubility due to interactions in the liquid or solid. Increase in solute dipolarity/polarizability increases solubility, whereas an increase in solute excess molar refraction, and especially, volume decrease solubility. The solubility of Bronsted acids and bases is discussed, and corrections for the fraction of neutral species in the saturated solution are graphically presented.

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Section: Methodsmentioning

confidence: 99%

The correlation and prediction of the solubility of compounds in water using an amended solvation energy relationship

Abraham

1999

Journal of Pharmaceutical Sciences

297

162

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“…Because of the prevalent use of activated carbon in water remediation applications, several research groups have previously developed activated carbon-water partitioning linear free energy relationships for organic compounds. Although the exact coefficients differ (Table 3) [32][33][34][35][36], likely because of differences in granular activated carbon character and perhaps some experimental problems associated with assuming equilibrium before it is reached (Supplemental Data, Table S2), the important sorbate parameters are consistent: the molar volume (V) and electron-donation basicity (B) always exhibit the largest influence on the distribution coefficient, K d . The dispersion term (V) always encouraged sorption, the electron-donating basicity (B) of a sorbate always reduced sorption, and both were clearly different from 0.…”

Section: Consistency Of Polyparameter Linear Free Energy Relationshipmentioning

confidence: 99%

Polyparameter linear free energy relationship for wood char–water sorption coefficients of organic sorbates

Plata

Hemingway

Gschwend

2015

Enviro Toxic and Chemistry

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Black carbons (BCs), including soots, chars, activated carbons, and engineered nanocarbons, have different surface properties, but we do not know to what extent these affect their sorbent properties. To evaluate this for an environmentally ubiquitous form of BC, biomass char, we probed the surface of a well-studied wood char using 14 sorbates exhibiting diverse functional groups and then fit the data with a polyparameter linear free energy relationship (ppLFER) to assess the importance of the various possible sorbatechar surface interactions. Sorption from water to water-wet char evolved with the sorbate's degree of surface saturation and depended on only a few sorbate parameters: S reflects polarity, and B represents the electron-donation basicity. As generally observed for activated carbon, the sorbate's size encouraged sorption from water to the char, while its electron donation/proton acceptance discouraged sorption from water. However, the magnitude and saturation dependence differed significantly from what has been seen for activated carbons, presumably reflecting the unique surface chemistries of these two BC materials and suggesting BC-specific sorption coefficients will yield more accurate assessments of contaminant mobility and bioavailability and evaluation of a site's response to remediation.

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“…These activated carbons have large (and to a PX-21 column), we noticed recovery surface areas and a large number and variety of polar problems for mono-ortho PCBs. Upon closer examifunctional groups [14]. Interactions of polar solutes nation we found 30-50% of the mono-ortho PCBs in can be strong on these activated carbons.…”

Section: Introductionmentioning

confidence: 75%

“…Sepaan adsorbent for a compound is that sample size ration of PCBs on the graphitic surface of the porous sufficient to cause a 10% decrease in retention time graphitic carbon is through p-p interactionsof that compound. PCB loading studies were done in dispersion interactions -of the biphenyl rings order to determine the extent of the total PCB and [10,14,16]. The strength of the interaction is depenplanar PCB loading capacities of the PGC column.…”

Section: Introductionmentioning

confidence: 99%

Loading capacity and chromatographic behavior of a porous graphitic carbon column for polychlorinated biphenyls

Echols¹,

Gale²,

Feltz³

et al. 1998

Journal of Chromatography A

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A porous graphitic carbon column (Hypercarb) was used for the fractionation of polychlorinated biphenyls (PCBs) into classes of 2-4 ortho chlorines, 1 ortho chlorine and 0 ortho chlorine congeners. A method was developed that combined the fractionation of PCBs, polychlorinated dibenzo-p-dioxins and dibenzofurans in a variety of biotic environmental samples. Many of these samples have high concentrations of PCBs which cause fractionation problems as adsorption sites on the graphitic surface are occupied. The loading capacity of the column for PCBs was determined by injecting up to 1 mg of total PCBs and monitoring changes in chromatographic behavior of tetra-/ di-ortho, mono-ortho and non-ortho substituted PCBs. Effective loading capacities were 1 mg for tetra-/ di-ortho PCBs, but only 3-5 mg for non-ortho PCBs and about 2 mg for mono-ortho PCBs. Loading capacity of the PGC column for environmental fish and avian egg samples was determined to depend on the mono-ortho and non-ortho PCB levels found in these samples.

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Retention of Neutral Organic Compounds From Solution on Carbon Adsorbents

Cited by 45 publications

References 32 publications

The correlation and prediction of the solubility of compounds in water using an amended solvation energy relationship

The correlation and prediction of the solubility of compounds in water using an amended solvation energy relationship

Polyparameter linear free energy relationship for wood char–water sorption coefficients of organic sorbates

Loading capacity and chromatographic behavior of a porous graphitic carbon column for polychlorinated biphenyls

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