对闽江口水、间隙水与沉积物中的21种多氯联苯的进行调查研究,结果表明,闽江口水中多氯联苯的含量范围是0120-2147μgPL，间隙水中的含量为3119-10186μgPL，沉积物（干重）：15113-57193μgPkg；与其他河口、海域相比，闽江口的多氯联苯污染水平相对较为严重；间隙水的污染物浓度普遍要比其上覆水的浓度要高,而沉积物中的浓度比间隙水、表层水要高。水体中的多氯联苯主要部分为含3-6氯多氯联苯，多氯联苯的主要组分间的正相关性表明其具有相似、稳定的来源特征并且在环境中行为相关；对该河口的污染水平进行了初步的评价，其水质多氯联苯超过USEPA的标准，沉积物方面也部分超过参考评价标准。

Regard to the poor adsorbability of the fixing film photocatalyst, we prepared a new nanosized TiO2 thin film modified by carbon black acting as the pore-forming agent and baked by a kind of new method. The film was characterized by XRD, TEM, SEM, DRS and FT-IR techniques. The results showed that the prepared TiO2 films were mainly anatase structure, containing a little rutile. Their mean sizes of crystal grains are about 20-30 nm. Comparing to the ordinary TiO2 film, we found that both carbon black modification and new baking method could make the characteristics of films change, such as more pores, looser structure, smaller crystal grains and longer excitation wavelength. It should be owed to these advantaged characteristics that the photocatalytic activity of the new film was largely improved during the degradation of benzamide. Furthermore, it also had wonderful stability, keeping its activity for 4 months applied to degrade reactive brilliant red X-3B in the continuous flow reactor.

Producedwater from alkali/surfactant/polymer (ASP) floodingwas more difficult to treat than that fromwater flooding due to large quantities of residual chemicals (alkali, surfactant and polymer) in the produced water. Surfactant was mainly responsible for the stability of oil droplets, decreasing oil-water interfacial tension and zeta potential on the surface of the oil droplets. Flocculation and demulsification were conducted to remove the stable oil droplets in the produced water. Due to the large dose of the flocculants and some viscous sediment formed, flocculation was not suitable for the wastewater treatment. Demulsification was an effective method to accelerate oil-water separation for the produced water. Of the numerous demulsifiers screened, DODY68 was found to be the most effective in treating the wastewater. The zeta potential of oil droplets increased after addition of the demulsifier to the produced water from ASP flooding, which indicated that the approach and coalescence of small oil droplets became easier due to the decrease in electrostatic repulsion between oil droplets.

Polychlorinated diphenyl ethers (PCDEs) have received more and more concerns as acategory of potential persistent organic pollutants (POPs). Modeling it s environmental fate and expo sure a sse ssment require a number of fundamental physicochemical propertie s. However, the experimental data are currently limited due to the difficulty in analysis caused by the complexity of PCDE congeners. As an alternative, the quantitative structure property relationship (QSPR) approach could be used. In this paper, twelve kinds of molecular connectivity indice s (MCIs) of all 209 po ssible molecular structure patterns of PCDEs were calculated. Ba sed on 106 PCDEs with three observed physicochemical propertie s-vapour pre ssure (P0L), aqueous solubility (Sw) and noctanolPwater (Kow) and their MCIs data, a serie s of QSPR equations were e stablished using multiple linear regre ssion (MLR) method. As a re sult, three equations with be st performance were selected mainly from the view of high regre ssion coefficient (R) and low standard error (SE). All of them showed significant relationship and high accuracy. With the se equations the propertie s of other 103 patterns of PCDEs without the reported observed values were predicted. Furthermore, three partition propertie s for PCDE congeners-Henry’s Law constant s (H), partition coefficient s between ga sPwater (Kgw) and ga sPnoctanol (Kgo) were calculated according to the internal relationship among the se six propertie s. The se observed and predicted value s, in contra st with the criteria listed in the Stockholm treaty about POPs which ha s been signed by more than ninety countrie s in May 2001, illustrated that mo st of PCDEs congeners are potential persistent organic pollutants. As all descriptorsPpredictors are derived just from the molecular structure it self and without the import of any empirical parameters, this method is impersonal and promising for the estimation of physicochemical properties of PCDEs.

Persistent organic pollutants such as polycyclic aromatic hydrocarbons (PAHs) are of great concern due to their persistence, bioaccumulation and toxic effects.In this work the levels of 16 priority PAHs were determined in water, pore water, sediment, soil and vegetable samples from Minjiang River Estuary, China.T otal PAH concentrations varied from 9.9 to 474mgyl in water, 82.1 to 239mgyl in pore water, 112 to 877 ngyg dry wt.in surficial sediments, 128 to 465 ngyg dry wt.in soil and 8600 to 111 000 ngyg dry wt.in Chinese vegetables.Overall, the mean concentrations of PAHs were present in higher levels in pore water than that in surface water, due possibly to higher concentrations of dissolved organic carbon or colloids with which the hydrophobic pollutants were strongly associated. Such a concentration gradient implies a potential flux of pollutants from sediment pore water to overlying water. Contamination was dominated by high molecular mass PAH compounds in all samples, indicating combustion-derived sources (for example, pyrolysis at high temperature).The levels of PAHs in water and vegetable were relatively high in comparison to other studies, although PAHs in sediment and soil were comparable to those found in many other similar environments.The ratios of selected PAHs indicated again that PAHs in Minjiang River Estuary were mainly derived from incomplete combustion of fossil fuel.

Tonghui River, a typical river in Beijing, People's Republic of China, was studied for its water and sediment quality, by determining the levels of 16 polycyclic aromatic hydrocarbons (PAHs), 12 polychlorinated biphenyls (PCBs) and 18 organochlorine pesticides in water and sediment samples. Total PAHs, PCBs and organochlorine pesticides concentrations in water varied from 192.5 to 2651ng/l, 31.58e344.9ng/l and 134.9e3788ng/l, respectively. The total PAHs, PCBs and organochlorine pesticides concentrations in surficial sediments were 127e928ng/g, 0.78e8.47ng/g and 1.79e13.98ng/g dry weight, respectively. The results showed that the concentration of these selected organic pollutants in sediment was higher than those in surface water. It may be due to the fact that organic hydrophobic pollutants tend to stay in the sediments. The PAHs were dominated by 2-, 3-ring components in water samples and by 3- and 4-ring compounds in sediment. For organochlorines, a-HCH, d-HCH, Heptachlor, Endosulfan II, DDT are the major organochlorine pesticides in water while Heptachlor, Dieldrin and DDE composed of 95% of total organochlorine pesticides in sediment. For HCHs (HCHs=a-HCHCb-HCHCg-HCHCd-HCH), the predominance of a-HCH of total HCHs were clearly observed in water and sediment. PCB18, PCB31 and PCB52 were predominant in water, on average these compounds collectively accounted for 67% of total PCBs. But in sediment, the predominant compounds were PCB28, PCB31 and PCB153, which accounted for 71% of total PCBs in sediment. The levels of micro pollutants in our study areas were compared with other studies.

Based on some fundamental quantum chemical descriptors computed by PM3 hamiltonian, two quantitative structure-activity relationship (QSAR) models for biocatalytic oxidation specific activity of unmodified and chemically modified hemoglobin in the oxidation of different polycyclic aromatic hydrocarbons (PAHs) in 15% acetonitrile were developed, respectively, using partial least squares analysis (PLS). The cross-validated Q2 cum values for the two optimal QSAR models are 0.785 and 0.747, respectively, indicating a good predictive ability for biocatalytic oxidation specific activity of PAHs. The main factors affecting specific activity of PAHs are most positive net atomic charges on a hydrogen atom (qH+), largest negative atomic charge on a carbon atom (qC-), dipole moment (μ), the energy of the highest occupied molecular orbital (EHOMO), and (ELUMO-EHOMO)2. The biocatalytic oxidation specific activity of PAHs with big Qc-and (ELUMO-EHOMO)2values tends to be slow. Increasing qH+, μ, and EHOMO values of PAHs leads to increase of specific activity.

16 priority polycyclic aromatic hydrocarbons (PAHs) were determined in water samples from the Jinsha River(Panzhihua part), Southwest China. Total dissolved PAH concentrations varied from 21.89mg l21 to 382.8mg l21. It was found that the concentration of PAHs decreased along the flow direction due to the higher density distribution of coal chemical industry in the upstream of our study rivers. The pollution levels in our study area are significantly higher than previously reported values in other waters both in China and other countries. The predominance of benzo[k]fluoranthene and indeno[1,2,3-cd]pyrene was clearly observed in all water samples. On average these two compounds accounted for 98.3% of the total dissolved PAH concentration in water. The results showed the positive correlations among total dissolved PAHs, benzo[k]fluoranthene and indeno[1,2,3-cd]pyrene, which suggested that these two predominant PAHs have similar source and environmental behaviors in our study area. When compared with the survey results of organic micropollutants two decades ago, it was found that hydrocarbon pollution both predominated and even increased with the development of coal chemical industry in this area during the past 20 years. The results therefore provide important information on the current contamination status of a key industrial city in China, and points to the need for urgent action to investigate the relationship between the PAH composition and concentration in water from the Jinsha River and the wastewater discharge from coal chemical industry, and to identify the source, transport pathway and fate of PAHs in the area. It should then be necessary to adopt appropriate and instant measures to control the pollution around this area.

Persistent organic pollutants (POPs) such as chlorinated pesticides are of global concern due to their widespread occurrence, persistence, bioaccumulation and toxicity to animals and human. This paper summarises recent research on 18 chlorinated pesticides in an important catchment in China, by determining their concentrations and behaviour in water, sediment, soil and plants. The concentrations of the total pesticides were in the ranges 187-893ng l21 in river water, 8.53-210ng g21 dry weight in soil, 2.66-13.45ng g21 dry weight in river sediment, and 651-2823 ng g21 dry weight in plants. The predominance of b-HCH as the major isomer of HCHs in all water, soil, sediment and plant samples was clearly observed, due to b-HCH's resistance to biodegradation. On average b-HCH accounted for 44%, 53%, 50%, and 46% of the total HCH concentration in water, soil, sediment and plant, respectively. Of the DDTs, DDE accounted for 48%, 43%, 53%, 55% of the total DDT, which suggested that DDT had been transformed to its metabolites, DDE and DDD, of which DDE was the more stable. The chlorinated pesticide levels in the River Wuchuan were generally below the guideline values in China, but some sites displayed levels in excess of EC Environmental Quality Standards for HCHs and DDTs. The results therefore provide important information on the current contamination status of a key agricultural watershed in China, and point to the need for urgent actions to evaluate the long-term fate and toxicity of such persistent compounds and an appropriate remediation strategy.

The theoretical linear solvation energy relationship (TLSER) approach was adopted to predict the aqueous solubility and noctanolPwater partition coefficient of three group s of environmentally important chemicals2polychlorinated biphenyls (PCBs), polychlorinated dibenzodioxins and dibenzofurans (PCDDs and PCDFs). For each compound, five quantum parameters were calculated using AM1 semiempirical molecular orbital methods and used a s structure de scriptors: average molecular polarizability (α), energy of the lowe stunoccupied molecular orbit (ELUMO), energy of the highe st occupied molecular orbit (EHOMO), the mo st po sitive charge on a hydrogen atom (q+), and the mo st negative atomic partial charge (q-) in the solute molecule. Then standard independent variable s in TLSER equation wa s extracted and two serie s of quantitative equations between the se quantum parameters and aqueous solubility and noctanolPwater partition coefficient were obtained by stepwise multiple linear regre ssion(MLR) method. The developed equations have both quite high accuracy and explicit meanings. And the cro ssvalidation te st illustrated the good predictive power and stability of the e stablished models. The re sults showed that TLSER could be used a s a promising approach in the e stimation of partition and solubility propertie s of macromolecular chemicals, such a s persistent organic pollutants.