Transport potential of super-hydrophobic organic contaminants in anionic-nonionic surfactant mixture micelles.

Surfactant mixtures are commonly used in agricultural and soil remediation applications, necessitating an understanding of their micellization behavior and associated impact on the fate of co-existing chemicals in the subsurface. A polymer-water sorption isotherm approach was shown to present an alternative to traditional methods for quantifying, understanding and predicting surfactant mixture properties. Micelle compositions were measured for anionic-nonionic surfactant mixtures.

Fragment-based approach to calculate hydrophobicity of anionic and nonionic surfactants derived from chromatographic retention on a C stationary phase.

To predict the fate and potential effects of organic contaminants, information about their hydrophobicity is required. However, common parameters to describe the hydrophobicity of organic compounds (e.g.

Critical micelle concentration values for different surfactants measured with solid-phase microextraction fibers.

The amphiphilic nature of surfactants drives the formation of micelles at the critical micelle concentration (CMC). Solid-phase microextraction (SPME) fibers were used in the present study to measure CMC values of 12 nonionic, anionic, cationic, and zwitterionic surfactants. The SPME-derived CMC values were compared to values determined using a traditional surface tension method.

Mechanisms of Neutral and Anionic Surfactant Sorption to Solid-Phase Microextraction Fibers.

Octanol-water partitioning (Kow) is considered a key parameter for hydrophobicity and is often applied in the prediction of the environmental fate and exposure of neutral organic compounds. However, surfactants can create difficulties in the determination of Kow because of emulsification of both water and octanol phases. Moreover, not only is sorption behavior of ionic surfactants related to hydrophobicity, but also other interactions are relevant in sorption processes.

A decision support system for drinking water production integrating health risks assessment.

The issue of drinking water quality compliance in small and medium scale water services is of paramount importance in relation to the 98/83/CE European Drinking Water Directive (DWD). Additionally, concerns are being expressed over the implementation of the DWD with respect to possible impacts on water quality from forecast changes in European climate with global warming and further anticipated reductions in north European acid emissions. Consequently, we have developed a decision support system (DSS) named ARTEM-WQ (AwaReness Tool for the Evaluation and Mitigation of drinking Water Quality issues resulting from environmental changes) to support decision making by small and medium plant operators and other water stakeholders.

Adsorption of polar, nonpolar, and substituted aromatics to colloidal graphene oxide nanoparticles.

We conducted batch adsorption experiments to understand the adsorptive properties of colloidal graphene oxide nanoparticles (GONPs) for a range of environmentally relevant aromatics and substituted aromatics, including model nonpolar compounds (pyrene, phenanthrene, naphthalene, and 1,3-dichlorobenzene) and model polar compounds (1-naphthol, 1-naphthylamine, 2,4-dichlorophenol, and 2,4-dinitrotoluene). GONPs exhibited strong adsorption affinities for all the test compounds, with distribution coefficients on the order of 10(3)-10(6) L/kg. Adsorption to GONPs is much more linear than to carbon nanotubes (CNTs) and C60, likely because GO nanoflakes are essentially individually dispersed (rendering adsorption sites of similar adsorption energy) whereas CNT/C60 are prone to bundling/aggregation.

Using polyacrylate-coated SPME fibers to quantify sorption of polar and ionic organic contaminants to dissolved organic carbon.

A passive sampling method using polyacrylate-coated solid-phase microextraction (SPME) fibers was applied to determine sorption of polar and ionic organic contaminants to dissolved organic carbon (DOC). The tested contaminants included pharmaceuticals, industrial chemicals, hormones, and pesticides and represented neutral, anionic, and cationic structures. Prior to the passive sampler application, sorption of the chemicals to the fibers was characterized.

A simple McGowan specific volume correction for branching in hydrocarbons and its consequences for some other solvation parameter values.

Differences in molecular properties between linear and branched alkanes as well as between compounds with branched alkyl groups is of relevance due to the large number of branched isomers of environmentally relevant compounds (e.g. fuels, fuel additives, surfactants).

Perfluorinated compounds in infiltrated river rhine water and infiltrated rainwater in coastal dunes.

Different studies have shown that surface waters contain perfluorinated compounds (PFCs) in the low ng/L range. Surface waters are used to produce drinking water and PFCs have been shown to travel through the purification system and form a potential threat to human health. The specific physicochemical properties of PFCs cause them to be persistent and some of them to be bioaccumulative and toxic in the environment.

Updated Abraham solvation parameters for polychlorinated biphenyls.

This study shows that the recently published polychlorinated biphenyl (PCB) Abraham solvation parameters predict PCB air-n-hexadecane and n-octanol-water partition coefficients very poorly, especially for highly ortho-chlorinated congeners. Therefore, an updated set of PCB solvation parameters was derived from four PCB properties and associated Abraham solvation equations. Additionally, the influence of ortho-chlorination on PCB solvent accessible volume and surface area was investigated.

Influence of temperature and origin of dissolved organic matter on the partitioning behavior of polycyclic aromatic hydrocarbons.

Background, Aim, And Scope: The behavior of polycyclic aromatic hydrocarbons (PAHs) is affected by dissolved organic matter (DOM) present in pore water of soils and sediments. Since partitioning to DOM reduces the bioavailable or freely dissolved PAH concentration in pore water, it is important to assess the effect of environmental variables on the magnitude of dissolved organic matter to water partition coefficients (K (DOC)). The objective of this study was to apply passive samplers to measure freely dissolved PAHs allowing depletion from the aqueous phase.

Enhanced kinetics of solid-phase microextraction and biodegradation of polycyclic aromatic hydrocarbons in the presence of dissolved organic matter.

The uptake kinetics of fluorene, phenanthrene, fluoranthene, pyrene, and benzo[e]pyrene by solid-phase microextraction fibers was studied in the presence of dissolved organic matter (DOM) obtained from sediment pore water and resulted in increased fiber absorption and desorption rate coefficients. Compared to the control without DOM, these rate coefficients were increased at a DOM concentration of 36.62 mg/L by a factor of 1.

Supercooled liquid vapour pressures and related thermodynamic properties of polycyclic aromatic hydrocarbons determined by gas chromatography.

A gas chromatographic method using Kováts retention indices has been applied to determine the liquid vapour pressure (P(i)), enthalpy of vaporization (DeltaH(i)) and difference in heat capacity between gas and liquid phase (DeltaC(i)) for a group of polycyclic aromatic hydrocarbons (PAHs). This group consists of 19 unsubstituted, methylated and sulphur containing PAHs. Differences in log P(i) of -0.

Sorption to black carbon of organic compounds with varying polarity and planarity.

It is becoming increasingly clear that the products of incomplete combustion (soot and charcoal, collectively termed black carbon or BC) can be responsible for as much as 80 - 90% of the total sorption to sediments of aromatic, planar, and hydrophobic compounds such as polycyclic aromatic hydrocarbons or planar polychlorinated biphenyls. In the present study, it was investigated whether a nonpolar aliphatic compound (hexachloroethane) and three nonplanar bipolar compounds with different functional groups [free electron pairs but no aromatic ring (butylate) or free electron pairs and an aromatic ring (diuron, atrazine)] would also show strong and nonlinear sorption to a BC-enriched sediment. At a concentration of 1 ng/L, the extent of elevated BC sorption compared to total organic carbon (TOC) sorption increased in the order atrazine < hexachloroethane < butylate < diuron.

Distribution and fate of HBCD and TBBPA brominated flame retardants in North Sea estuaries and aquatic food webs.

Tetrabromobisphenol A (TBBPA) and hexabromocyclododecane diastereoisomers (alpha-, beta/-, and gamma-HBCD) were investigated in effluents from sewage treatment works, landfill leachates, sediments, and food web organisms of the North Sea basin. Residues were quantified by liquid chromatography-mass spectrometry. Both flame retardants were enriched in sewage sludges, where a maximum total (sigma) HBCD concentration of 9.