Prediction of environmental parameters by adsorbability index: Water solubilities of hydrophobic organic pollutants

Okouchi, Shoichi; Saegusa, H.; Nojima, Osamu

doi:10.1016/0160-4120(92)90108-g

Cited by 12 publications

(3 citation statements)

References 10 publications

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“…For its determination, a small amount of tert-butyl alcohol was added as an internal standard to its saturated solution in D2O, and their NMR signals were integrated after accumulation overnight (Bruker, 400 MHz). The value of 8.4 × 10 -4 mol dm -3 thus obtained is in agreement with expectations (15). Ozone was generated from oxygen with a WEDECO SWO-70 ozonator.…”

Section: Methodssupporting

confidence: 90%

Reaction of Ozone with Ethene and Its Methyl- and Chlorine-Substituted Derivatives in Aqueous Solution

Dowideit

Sonntag

1998

Environ. Sci. Technol.

152

141

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precursor: phosgene], formate (0.82) [precursor: formic peracid (0.88)], CO (0.04) [precursor: chloroformic peracid), dichloroacetic acid* (0.04). Some experiments were also done with tetramethylethene: acetone (1.7 4 ) [the precursor of half of the acetone, 2-hydroxypropyl-2hydroperoxide reacts too slowly with activated iodide to be quantified], 2,3-dimethyl-2,3-dihydroxybutane* (ca. 0.1). These results show that full mineralization is not achieved.

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Section: Methodssupporting

confidence: 90%

Reaction of Ozone with Ethene and Its Methyl- and Chlorine-Substituted Derivatives in Aqueous Solution

Dowideit

Sonntag

1998

Environ. Sci. Technol.

152

141

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“…dTSA, total molecular surface area, from Woodburn et al [20] and Okouchi et al [21]. eVWV, van der Waals volume, from Hanai and Hubert [19] and Kamlet et al [22].…”

Section: Experimen Fa[ Proceduresmentioning

confidence: 99%

Quantitative structure-activity relationships for evaluating the influence of sorbate structure on sorption of organic compounds by soil

Wang

Brusseau

1995

Environmental Toxicology and Chemistry

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The purpose of this work was to investigate the effect of sorbate structure, by using the quantitative structure‐activity relationship (QSAR) approach, on sorption of organic compounds by two soils with different amounts of organic matter. Miscible displacement experiments were performed with several organic contaminants representing six classes of nonpolar, nonionizable organic chemicals, including chlorinated aliphatics, chlorobenzenes, polycyclic aromatic hydrocarbons (PAHs), n‐alkylbenzenes, methylated benzenes, and polychlorinated biphenyls (PCBs). The breakthrough curves were analyzed by using a bicontinuum model wherein sorption is assumed to be instantaneous for a fraction of the sorbent and rate limited for the remainder. The QSAR approach was used to investigate the dependency of both equilibrium and nonequilibrium sorption coefficients on topological descriptors representing structural properties of the solutes. For both equilibrium and nonequilibrium parameters, the first‐order valence molecular connectivity (1Xv) was found to be the best topological descriptor. Most of the rate‐limited sorption behavior could be explained by accounting for the size and structure of the solute molecule, as indicated by the good correlation between the rate coefficient and 1Xv. This supports the contention that rate‐limited sorption in these systems is controlled by a physical diffusion mechanism, consistent with the polymer diffusion model. Based on this model, the calculated diffusion‐length ratios for the Borden and Mt. Lemmon soils, which have a large difference in organic‐matter contents, compare favorably to the values determined from the measured rate data.

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“…Organic pollutants (as emerging compounds) use to be small molecules with a molecular surface area between 1-3 nm 2 [76]. These molecules can access to the micropore of the activated carbon, thus pore size distributions and surface area determine the physical adsorption between adsorbate and adsorbent (activated carbon, AC).…”

Section: Adsorbate-activated Carbon Interactionsmentioning

confidence: 99%

Adsorption of organic and emerging pollutants on carbon materials in aqueous media : environmental implications

Lladó Valero

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In the last two decades an increasing presence of organic substances such drugs, pesticides, etc. has been detected in water which may affect the health of the organisms and the environment. Some of these contaminants remain in the water after the usual treatment in sewage plants. This fact makes evident the need of introduction of the tertiary treatments that allow the complete elimination of these substances. This Doctoral Thesis researches for the elimination of different organic and emerging compounds present in water by means of the adsorption with new activated carbons. In particular, new carbon materials from different wastes, coal, synthetic materials, which have been produced and characterized, allow the adsorption of the organic compounds widely used in society. Different characteristics of the adsorbents (chemical composition, functional groups, texture, etc.) and of adsorbates (dimensions, hydrophobicity, pKa, functional groups, etc.) that influence on the adsorption process have been studied. Moreover, in this work, an analysis and kinetic model have been proposed. The analytic model allow, by chemometrics, enhancing the quantification of two or more organic compounds in solution by spectroscopy UV-vis. The kinetic model proposed provides a better comprehension and interpretation, as a better prediction of the different parameters on the adsorption process. In this sense, the following Thesis presents five works which have allowed a better comprehension of the adsorption process by means carbon materials from different origin. The first work, “highly microporous activated carbons from biocollagenic wastes as adsorbents or aromatic pollutants in water originating from industrial activities”, about the texture and chemical composition of activated carbon from biocollagenic wastes which have been studied in order to observe how these parameters affect on the adsorption of aromatic monosubstitued compounds. Moreover, different variables as temperature and activating agent are studied in the process of manufacture activated carbons. The second work, “Removal of pharmaceutical and Iodinated Contrast Media (ICM) compounds on carbon xerogels and activated carbons. NOM and textural properties influences”, shows the important role of pore size distribution in activated carbon which plays on the adsorption of different pharmaceuticals (salicylic acid, paracetamol, diclifenac, etc.) and iodinated contrast media (iohexol, iodixanol, iomeprol, etc) of different size. The influence of natural organic matter (NOM) in water is also studied in the adsorption of the all pollutants. The adsorption of paracetamol, phenol and salicylicacid in different coal-based activated carbon is showed in the contain of the work “Removal of pharmaceutical pollutants in water using coal-based activated carbons”. In this work, the chemical characteristics on the surface of activated carbons are studied in order to observe the influence in the adsorption of different organic compounds; and also the influence of the pH water. The results showed an increase of adsorption of salicylates due to the presence of sulphur on the surface of the adsorbent. The fourth work; “Multicomponent adsorption on coal-based activated carbons on aqueous media: new cross-correlation analysis method”, as a continuation of the previous work, shows a new chemometric technique that allows to analysis the binary and ternary solutions correctly by UV-vis spectroscopy. Moreover, the competitive effect between two or three molecules is studied on the adsorption process. In the last work, “Role of activated carbon properties in atrazine and paracetamol adsorption equilibrium and kinetics”, a new kinetic model is proposed for the adsorption of paracetamol and atrazine using activated carbon from sewage sludge and two, commercial, activated carbons. En les darreres dues dècades s’ha detectat un increment de la presència de substàncies orgàniques com els fàrmacs, els pesticides,... en l’aigua que poden afectar la salut dels éssers vius i del medi ambient. Algun d'aquests contaminants romanen en les aigües després d’haver passat pels tractaments habituals en les plantes depuradores de tractament. Aquest fet fa evident la necessitat de la implantació de tractament terciaris que permetin la seva completa eliminació. La present Tesi doctoral estudia l’eliminació de diferents compostos orgànics i emergents presents en aigua mitjançant la tecnologia d’adsorció amb nous carbons activats. Concretament, s'han produït i caracteritzat nous materials carbonosos procedents de residus, carbó mineral, materials sintètics, ... que permeten adsorbir diferents compostos orgànics d'ampli us en la nostra societat. S'han estudiat les característiques dels adsorbents (composició química, grups funcionals, porositat) i dels adsorbats (dimensions, hidrofobicitat, pKa, grups funcionals...) que influeixen en el procés d’adsorció. A més a més, en aquest treball, s'han proposat dos nous models, un d'anàlisi i un altre cinètic. El model analític permet, mitjançant la quimiometria, millorar la quantificació de dos o més compostos orgànics presents en una mescla per espectroscòpia UV-vis. El model cinètic proposat proporciona una millor comprensió i interpretació, així com una millor predicció dels diferents paràmetres del procés d'adsorció. En aquest sentit, en la següent Tesi es presenten cinc treballs que han permès una millor comprensió del procés d’adsorció mitjançant materials carbonosos de diferents procedències. En el primer treball, “Highly microporous activated carbons from biocollagenic wastes as adsorbents or aromatic pollutants in water originating from industrial activities”, s'ha estudiat com afecta la textura i la composició química de carbons activats procedents de residus de pells en l'adsorció de compostos aromàtics monosubtituits. A més a més s’estudia com afecten diferents variables com temperatura i agent activant en el procés de fabricació dels carbons activats. El segon treball, “Removal of pharmaceutical and Iodinated Contrast Media (ICM) compounds on carbon xerogels and activated carbons. NOM and textural properties influences”, posa de manifest el rellevant paper que juga la distribució de porus d’un carbó activat en l’adsorció de diferents fàrmacs (àcid salicílic, paracetamol, diclofenac, ...) i agents de contrast (iohexol, iodixanol, iomeprol,...) de diferent mida. També, s’ha estudiat la influència de la matèria orgànica present en l’aigua en l’adsorció de tots els contaminants. L’estudi de l’adsorció de paracetamol, fenol i àcid salicílic en diferents carbons activats procedents de carbó mineral es reflexa en el treball “Removal of pharmaceutical pollutants im water using coal-based activated carbons”. En aquest treball s'estudia la influència de les característiques químiques de la superfície dels carbons activats en l’adsorció dels diferents compostos orgànics, així com la influència del pH de les aigües. Els resultats van mostrar un augment de l’adsorció de salicilats degut a la presència de sofre en l'adsorbent. El quart treball, “Multicomponent adsorption on coal-based activated carbons on aqueous media: new cross-correlation analysis method”, és una continuació del treball anterior. En aquest cas, es presenta un nova tècnica quimiomètrica que permet analitzar correctament mescles binàries i ternàries per espectroscòpia UV-vis. A més s’estudia l’efecte competitiu entre dues o tres molècules en el procés d'adsorció. El cinquè i últim treball, "Role of activated carbon properties in atrazine and paracetamol adsorption equilibrium and kinetics", planteja un nou model cinètic per a l’adsorció de paracetamol i atrazina mitjançant carbó activat procedent de fangs de depuradora i dos carbons comercials.

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Prediction of environmental parameters by adsorbability index: Water solubilities of hydrophobic organic pollutants

Cited by 12 publications

References 10 publications

Reaction of Ozone with Ethene and Its Methyl- and Chlorine-Substituted Derivatives in Aqueous Solution

Reaction of Ozone with Ethene and Its Methyl- and Chlorine-Substituted Derivatives in Aqueous Solution

Quantitative structure-activity relationships for evaluating the influence of sorbate structure on sorption of organic compounds by soil

Adsorption of organic and emerging pollutants on carbon materials in aqueous media : environmental implications

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