Assessment on the distribution and partitioning characteristics of polycyclic aromatic hydrocarbons (PAHs) in Lake Baiyangdian, a shallow freshwater lake in China

The characteristics of polycyclic aromatic hydrocarbons (PAHs) in water, suspended particulate matter (SPM), sediments, and hydrophytes from Lake Baiyangdian, a shallow freshwater lake in China were studied. The low-molecular-weight PAHs (2-3 ring PAHs) predominated (61.2 to 84.5%) in all samples. Principal component analysis (PCA) of individual PAHs and the ratios of selected PAHs showed that the PAHs in the lake were mainly petrogenic inputs. The solid-liquid distribution coefficient (K(d)) in the water phase was much higher than the bioconcentration factor (BCF), and the leaf concentration factor (LCF) was higher than the root concentration factor (RCF) and stem concentration factor (SCF) in plant-sediment phase. Good linear log/log relationships were observed between the equilibrium partitioning coefficient (K(oc)) and the octanol-water partitioning coefficient (K(ow)), between RCF and K(ow), and between LCF and the octanol-air partitioning coefficient (K(oa)). These results indicated that PAHs accumulated more easily in SPM than in submerged aquatic plants, and some low-molecular-weight PAHs could accumulate and be translocated in the lake's media. Media characteristics, contamination sources, and physicochemical properties all affect the partitioning of PAHs among water, SPM, sediments, and hydrophytes.     

Visualising the equilibrium distribution and mobility of organic contaminants in soil using the chemical partitioning space

Assessing the behaviour of organic chemicals in soil is a complex task as it is governed by the physical chemical properties of the chemicals, the characteristics of the soil as well as the ambient conditions of the environment. The chemical partitioning space, defined by the air-water partition coefficient (K(AW)) and the soil organic carbon-water partition coefficient (K(OC)), was employed to visualize the equilibrium distribution of organic contaminants between the air-filled pores, the pore water and the solid phases of the bulk soil and the relative importance of the three transport processes removing contaminants from soil (evaporation, leaching and particle erosion). The partitioning properties of twenty neutral organic chemicals (i.e. herbicides, pharmaceuticals, polychlorinated biphenyls and volatile chemicals) were estimated using poly-parameter linear free energy relationships and superimposed onto these maps. This allows instantaneous estimation of the equilibrium phase distribution and mobility of neutral organic chemicals in soil. Although there is a link between the major phase and the dominant transport process, such that chemicals found in air-filled pore space are subject to evaporation, those in water-filled pore space undergo leaching and those in the sorbed phase are associated with particle erosion, the partitioning coefficient thresholds for distribution and mobility can often deviate by many orders of magnitude. In particular, even a small fraction of chemical in pore water or pore air allows for evaporation and leaching to dominate over solid phase transport. Multiple maps that represent soils that differ in the amount and type of soil organic matter, water saturation, temperature, depth of surface soil horizon, and mineral matters were evaluated.     

Partitioning and removal of perfluorooctanoate during rain events: the importance of physical-chemical properties

The potential for airborne emissions to undergo long-range transport or to be removed from the atmosphere is influenced by their physical-chemical properties. When perfluorooctanate (PFO) enters the environment, its physical-chemical properties can vary significantly, depending on whether it exists as an acid, a salt, or a dissociated ion. A summary of the physical-chemical properties of the three most likely environmental states: ammonium perfluorooctanoate (APFO), perfluorooctanoic acid (PFOA) and the dissociated perfluorooctanoate anion (PFO(-)) is presented to illustrate the distinct environmental properties of each. The most volatile species, PFOA, is shown to have a pH-dependent air-water partitioning coefficient (K(aw)). The variability of K(aw) with pH influences the potential for vapor formation from aqueous environments, including rain events. Using the pH-dependent K(aw) and measured rain and air concentrations, it is shown that vapor-phase PFOA is not likely to be present above measurable levels of 0.2 ng m(-3) (12 parts per quadrillion v/v) during a rain event. Because rain concentrations determined in this work are comparable to measurements in other parts of North America, it is unlikely that rain events are a significant source of vapor-phase PFOA for the general North American region. It is shown that PFOA exists primarily in the particle phase in ambient air near direct sources of emissions and is efficiently scavenged by rain droplets, making wet deposition an important removal mechanism for emissions originating as either PFOA or APFO. Washout ratios of particle-associated PFO were determined to range between 1 x 10(5) and 5 x 10(5), in the same range as other semi-volatile compounds for which wet deposition is an important mechanism for atmospheric removal and deposition onto soils and water bodies.     

The Development of a Prediction Model for the Kinetic Constant of Chlorinated Aliphatic Hydrocarbons

Kinetic constants are important design parameters to determine the degradation of a substrate in biological treatment systems. The objective of this study was to develop a regression model using a quantitative structure–activity relationship technique for the prediction of the first-order rate constants (k) of chlorinated aliphatic hydrocarbons (CAHs). The prediction model showed very good correlations between the measured and calculated rate constants of CAHs. It was likely that the higher-order connectivity indices were important factors for the prediction of the kinetic constants, implying more complicated connectivity indices contributed to the prediction of a biological property. This technique would provide a useful tool to establish the kinetics of other CAHs without costly or time-consuming tests.     

The Duero Diatom Index (DDI) for river water quality assessment in NW Spain: design and validation

Diatom indices developed in certain geographic regions are frequently used elsewhere, despite the strong evidence that such metrics are less useful when applied in regions other than that where species–environment relationships were originally assessed, showing that species have particular autoecological requirements in different geographic areas. The goal of this study was to develop a new metric, the Duero Diatom Index (DDI), aimed at monitoring water quality in Duero basin watercourses (NW Spain). In summer 2008 and 2009, a total of 355 epilithic diatom samples were collected following standard protocols. The 2008 samples were used to develop the DDI, whereas the samples collected during 2009 were used in the index testing. Weighted averages method was used to derive the autoecological profiles of diatoms with respect to pH, conductivity, biological oxygen demand, ammonia, nitrates, and phosphates. The optimum and tolerance values for the measured environmental variables were determined for 137 taxa with abundances and frequencies of occurrence above 1 %, and subsequent trophic indicator and sensitivity values were defined for the DDI. The correlation between the observed and the diatom-inferred nutrient concentrations was highest for phosphates (ρ _S?=?0.72). Significant statistical relationship were observed between DDI values and the chemistry-based General Quality Index values (p?=?0.006) and the specific pollution index (SPI) diatom metric (p?=?0.04). DDI has demonstrated a better correlation with water chemistry than SPI diatom metric.     

Influence of water pollution on the growth and pigment concentration of the microalgae <Emphasis Type="Italic">Phaeodactylum tricornutum</Emphasis> Bohlin (Bacillariophyta)

The aim of the work was to study the influence of the water taken from one of the most polluted parts of the Peter the Great Bay (the Japan Sea), the Nakhodka Bay, on the growth and chlorophyll a concentration in the cells of microalga P. tricornutum Bohlin (Bacillariophyta). The estimation of the dynamics of cell number growth and chlorophyll a concentration in the cells of microalga grown in the water from the Nakhodka Bay was made. At the same time, in 2007–2008, the main hydrochemical parameters, such as water salinity, dissolved oxygen concentration, BOD₅, organic and mineral phosphates concentration, anionic surfactants, and total petroleum hydrocarbons, were determined. It is shown that in July 2007, when most hydrochemical parameters were lower than the maximum permissible level, the culture growth and chlorophyll a contents in the cells did not differ from the control for certain. In other seasons these indices differed greatly from the control. The positive correlation between the concentration of dissolved oxygen, phosphates, petroleum hydrocarbons, and the number of microalga cells, grown in the water from the Nakhodka Bay, was shown.     

Major and trace element partitioning between dissolved and particulate phases in Antarctic surface snow

In order to provide a new insight into the Antarctic snow chemistry, partitioning of major and trace elements between dissolved and particulate (i.e. insoluble particles, >0.45 μm) phases have been investigated in a number of coastal and inland snow samples, along with their total and acid-dissolvable (0.5% nitric acid) concentrations. Alkaline and alkaline-earth elements (Na, K, Ca, Mg, Sr) were mainly present in the dissolved phase, while Fe and Al were predominantly associated with the particulate matter, without any significant difference between inland and coastal samples. On the other hand, partitioning of trace elements depended on the sampling site position, showing a general decrease of the particulate fraction by moving from the coast to the plateau. Cd, Cu, Pb and Zn were for the most part in the dissolved phase, while Cr was mainly associated with the particulate fraction. Co, Mn and V were equally distributed between dissolved and particulate phases in the samples collected from the plateau and preferentially associated with the particulate in the coastal samples. The correlation between the elements and the inter-sample variability of their concentration significantly decreased for the plateau samples compared to the coastal ones, according to a change in the relative contribution of the metal sources and in good agreement with the estimated marine and crustal enrichment factors. In addition, samples from the plateau were characterised by higher enrichment factors of anthropogenic elements (Cd, Cr, Cu, Pb and Zn), compared to the coastal area. Finally, it was observed that the acid-dissolvable metal concentrations were generally lower than the total concentration values, showing that the acid treatment can dissolve only a given fraction of the metal associated with the particulate (<20% for iron and aluminium).     

Passive sampling: partition coefficients for a silicone rubber reference phase

Silicone rubber sheeting can be used as a passive sampling device for hydrophobic organic contaminants in the environment to determine the available concentrations in water and sediments. Reliable sampler-water partition coefficients are required to determine the sampling rates and the dissolved contaminant concentrations in water and in sediment pore water. Log partition coefficients (logK(sr,w)) for silicone rubber-water have been estimated for 32 polycyclic aromatic hydrocarbons (PAHs), 2 deuterated PAH analogues and 32 chlorobiphenyls (CBs) using the cosolvent method, with methanol as cosolvent. Strong linear relationships were found with literature values for the corresponding log octanol-water partition coefficients (logK(ow)) for both CBs and PAHs, confirming that partitioning into the silicone rubber is strongly determined by the hydrophobicity of the compounds, which suggests logK(ow) is a good predictor of logK(sr,w) and that absorption is the main mechanism for accumulation of analytes into the silicone rubber polymer.     

Impact of irreversible sorption of phthalate acid esters on their sediment quality criteria

The equilibrium partitioning (EqP) method has been applied to establish sediment quality criteria (SQC); however, it does not consider the nonlinear irreversible sorption of many organic contaminants. In this research, the sorption and desorption of two phthalate esters (PAEs), dimethyl phthalate (DMP) and di(2-ethylhexyl) phthalate (DEHP), in four natural sediments collected from the Yangtze River and the Yellow River were studied; the impact of irreversible sorption of DMP and DEHP on SQC has been evaluated. Based on the reversible and irreversible biphasic sorption model, the values of maximum irreversible sorption capacity (q(max)(irr)) were 125.19 μg g(-1)-337.37 μg g(-1) for DMP and 515.87 μg g(-1)-591.40 μg g(-1) for DEHP. The q(max)(irr) value was positively related to the organic carbon and black carbon contents, cation exchange capacity, and surface area of the sediments. The values of the irreversible sorption coefficient K(oc)(irr) for both DEHP and DMP in the four sediments approximated to a constant of 10(6.46 ± 0.38), which was 1-2 orders of magnitude higher than their reversible sorption coefficient K(oc)(irr). The values of SQC for PAEs based on the EqP method were modified by involving the irreversible sorption. The modified SQC of DEHP could be 2 to 20 times higher than the value predicted by the EqP method, and the assessment results for DEHP contamination in the sediments with the modified SQC were more reasonable than those with the non-modified SQC. It indicated that the current SQC based on the EqP method may be unnecessarily strict for specific organic compounds and the irreversible sorption should be taken into account.     

Statistical approaches for hydrogeochemical characterization of groundwater in West Delhi, India

Parametric statistical approaches, correlations and multiple linear regressions were used to develop models for the interpretation of hydrogeochemical parameters in the Western part of Delhi state, India. The hydrogeochemical parameters indicated that the groundwater quality is not safe for consumption. The water is moderately saline and the salinity level is increasing over time. There is also the problem of nitrate pollution. The correlation between electrical conductivity (EC) and other water quality parameters except potassium (K(+)), nitrate (NO(3)(-)) and bicarbonate (HCO(3)(-)) is significantly positive and Ca(++)+ Mg(++)/Na(+)+ K(+) is significantly negative. In predicting EC, the multiple R(2) values of 0.996 and 0.985 indicate that 99.6% and 98.5% variability in the observed EC could be ascribed to the combined effect of Na(+), HCO(3)(-), Cl(-), SO(4)(--), NO(3)(-) and Ca(++)+ Mg(++) for the year of 2005 and 2006 respectively. Out of 99.6% of the variability in EC in 2005, 51.2% was due to Cl(-) alone, and 8.5%, 12.5%, 6.1%, 14.7% and 6.7% were due to Na(+), HCO(3)(-), SO(4)(--), NO(3)(-) and Ca(++) + Mg(++). Similarly in 2006, out of 98.5% of the variability in EC, 48.5% was due to Cl(-) alone, and 10.4%, 12.7%, 5.3%, 17.2% and 4.4% were due to Na(+), HCO(3)(-), SO(4)(--), NO(3)(-) and Ca(++)+ Mg(++). The analysis shows that a good correlation exists between EC, Cl(-) and SO(4)(--) either individually or in combination with other ions and the multiple regression models can predict EC at 5% level of significance.