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1.
Arctic rivers typically transport more than half of their annual amounts of water and suspended sediments during spring floods. In this study, the Sagavanirktok, Kuparuk and Colville rivers in the Alaskan Arctic were sampled during the spring floods of 2001 to determine levels of total suspended solids (TSS) and dissolved and particulate metals and organic carbon. Concentrations of dissolved organic carbon (DOC) increased from 167 to 742 μmol/L during peak discharge in the Sagavanirktok River, at about the same time that river flow increased to maximum levels. Concentrations of dissolved Cu, Pb, Zn and Fe in the Sagavanirktok River followed trends observed for DOC with 3- to 25-fold higher levels at peak flow than during off-peak discharge. Similar patterns were found for the Kuparuk and Colville rivers, where average concentrations of dissolved trace metals and DOC were even higher. These observations are linked to a large pulse of DOC and dissolved metals incorporated into snowmelt from thawing ponds and upper soil layers. In contrast with Cu, Fe, Pb and Zn, concentrations of dissolved Ba did not increase in response to increased discharge of water, TSS and DOC. Concentrations of particulate Cu, Fe, Pb and Zn were more uniform than observed for their respective dissolved species and correlated well with the Al content of the suspended particles. However, concentrations of particulate Al were poorly correlated with particulate organic carbon. Results from this study show that >80% of the suspended sediment and more than one-third of the annual inputs of dissolved Cu, Fe, Pb, Zn and DOC were carried to the coastal Beaufort Sea in 3 and 12 d, respectively, by the Kuparuk and Sagavanirktok rivers.  相似文献   

2.
Polynuclear aromatic hydrocarbons (PAH), chlorinated pesticides, and polychlorinated biphenyls (PCB) concentrations were determined in sediment and oysters to provide information on the current status of the concentration of these contaminants in Gulf of Mexico coastal areas removed from point sources of input. Coprostanol analyses of sediments showed that anthropogenic materials are associated with the sediments at all 153 stations sampled. The levels of contaminants encountered are low compared with areas of known contamination. Average PAH concentrations are nearly the same in oysters and sediments, although the molecular weight distribution is different. Average DDT and PCB concentrations are higher by a factor of 10 to 130 in oysters as compared to sediments. Continued sampling and analyses will allow for long-term trends in the concentrations of these contaminants to be determined.  相似文献   

3.
Oyster and sediment samples collected from six sites in Galveston Bay from 1986 to 1998 were analyzed for polynuclear aromatic hydrocarbons (PAHs). Total concentrations of parent PAHs in oysters ranged from 20 ng g−1 at one site to 9,242 ng g−1 at another and varied randomly with no clear trend over the 13 year period at any site. Concentrations of alkylated PAHs, which are indications of petroleum contamination, varied from 20 to 80,000 ng g−1 in oysters and were in higher abundance than the parent PAHs, indicating that one source of the PAH contaminants in Galveston Bay was petroleum and petroleum products. Four to six ring parent PAHs, which are indicative of combustion source , were higher than those of 2–3 ring parent PAHs, suggesting incomplete combustion generated PAHs was another source of PAHs into Galveston Bay. Concentrations of parent PAHs in sediments ranged from 57 to 670 ng g−1 and were much lower than those in oysters. Sediments from one site had a high PAH concentration of 5,800 ng g−1. Comparison of the compositions and concentrations of PAHs between sediment and oysters suggests that oysters preferentially bioaccumulate four to six ring PAHs. PAH composition in sediments suggests that the sources of PAH pollution in Galveston Bay were predominantly pyrogenic, while petroleum related PAHs were secondary contributions into the Bay.  相似文献   

4.
Concentration of aliphatic, aromatic, and chlorinated hydrocarbons were determined from 33 surface-sediment samples taken from the Tidal Basin, Washington Ship Channel, and the Anacostia and Potomac rivers in Washington, D.C. In conjunction with these samples, selected storm sewers and outfalls also were sampled to help elucidate general sources of contamination to the area. All of the sediments contained detectable concentrations of aliphatic and aromatic hydrocarbons, DDT (total dichlorodiphenyltrichloroethane), DDE (dichlorodiphenyldichloroethene), DDD (dichlorodiphenyldichloroethane), PCBs (total polychlorinated biphenyls) and total chlordanes (oxy-, α-, and γ-chlordane and cis + trans-nonachlor). Sediment concentrations of most contaminants were highest in the Anacostia River just downstream of the Washington Navy Yard, except for total chlordane, which appeared to have upstream sources in addition to storm and combined sewer runoff. This area has the highest number of storm and combined sewer outfalls in the river. Potomac River stations had lower concentrations than other stations. Total hydrocarbons (THC), normalized to the fine-grain fraction (clay + silt, < 63 μm), ranged from 120 μg g?1 to, 1,900 μg g?1 fine-grain sediment. The hydrocarbons were dominated by the unresolved complex mixture (UCM), with total polycyclic aromatic hydrocarbons (PAHs) concentrations ranging from 4 μg g?1 to 33 μg g?1 fine-grain sediment. Alkyl-substituted compounds (e.g., C1 to C4 methyl groups) of naphthalene, fluorene, phenanthrere + anthracene, and chrysene series dominated the polycyclic aromatic hydrocarbons (PAHs). Polycyclic aromatic hydrocarbons, saturated hydrocarbons, and the unresolved complex mixture (UCM) distributions reflect mixtures of combustion products (i.e., pyrogenic sources) and direct discharges of petroleum products. Total PCB concentrations ranged from 0.075 μg g?1 to 2.6 μg g?1 fine-grain sediment, with highest concentrations in the Anacostia River. Four to six C1-substituted biphenyls were the most-prevalent PCBs. Variability in the PCB distribution was observed in different sampling areas, reflecting, differing proportion of Arochlor inputs and degradation. The concentration of all contaminants was generally higher in sediments closer to known sewer outfalls, with concentrations of total hydrocarbon, PAHs, and PCBs as high as 6,900 μg g?1, 620 μg g?1, and 20 μg g?1 fine-grain sediment, respectively. Highest PCB concentrations were found in two outfalls that drain into the Tidal Basin. Concentrations of organic contaminants from sewers draining to the Washington Ship Channel and Anacostia River had higher concentrations than sediments of the mid-channel or river. Sources of PCBs appear to be related to specific outfalls, while hydrocarbon inputs, especially PAHs, are diffuse, and may be related to street runoff. Whereas most point-source contaninant inputs have been regulated, the importance of nonpoint source inputs must be assessed for their potential addition of contaminants to aquatic ecosystems. This study indicates that in large urban areas, nonpoint sources deliver substantial amounts of contaminants to ecosystems through storm and combined sewer systems, and control of these inputs must be addressed.  相似文献   

5.
Sediment analysis is used for detecting pollution sources; in addition, sediments are increasingly investigated as a pollution proper and as a carrier and possible source of contaminants in aquatic systems. Amongst the various groups of pollutants which possess a strong affinity to sedimentary materials, heavy metals and polycyclic aromatic hydrocarbons present the greatest environmental hazard. A review is given of pre-civilisational concentrations (“background” values) of both heavy metals and polycyclic aromatic hydrocarbons in fluviatile sediments, and their development during the past 100 years. The impact of sediment associated heavy metal pollution on both biota and water is discussed.  相似文献   

6.
Concentrations of dissolved nitrate, silicate, and phosphate in water flooding intertidal sediments at Pecks Cove and along the axis of Cumberland Basin, Bay of Fundy were measured throughout the year. Exchanges of dissolved nutrients between intertidal sediments and overlying water were measured by enclosing water in chambers over undisturbed sediment. Nitrate concentrations in the water usually decreased during incubations while silicate was released by sediments during summer and consumed during fall. Particles which settled in sediment traps exposed during periods of high tide were stirred in filtered seawater to measure nutrient exchange. The flux of nutrients between the intertidal sediments and settled particles and seawater was estimated from incubation experiments and the observed nitrogen content in surface sediments and suspended particulate material. There was a net import of dissolved nitrate and silicate into Cumberland Basin from Chignecto Bay during early summer, at all other times there was a net export. Despite the low primary productivity and rigorous physical environment, biological activity has a measurable impact on dissolved nutrient concentrations in the waters of Cumberland Basin.  相似文献   

7.
Estuaries receive large quantities of suspended sediments following the first major storm of the water year. The first-flush events transport the majority of suspended sediments in any given year, and because of their relative freshness in the hydrologic system, these sediments may carry a significant amount of the sediment-associated pesticide load transported into estuaries. To characterize sediment-associated pesticides during a first-flush event, water and suspended sediment samples were collected at the head of the San Francisco Bay during the peak in suspended sediment concentration that followed the first major storm of the 1996 hydrologic year. Samples were analyzed for a variety of parameters as well as 19 pesticides and degradation products that span a wide range of hydrophobicity. Tidal mixing at the head of the estuary mixed relatively fresh suspended sediment transported down the rivers with suspended sediments in estuary waters. Segregation of the samples into groups with similar degrees of mixing between river and estuary water revealed that transport of suspended sediments from the Sacramento-San Joaquin drainage basin strongly influenced the concentration and distribution of sediment-associated pesticides entering the San Francisco Bay. The less-mixed suspended sediment contained a different distribution of pesticides than the sediments exposed to greater mixing. Temporal trends were evident in pesticide content after samples were segregated according to mixing history. These results indicate sampling strategies that collect at a low frequency or do not compare samples with similar mixing histories will not elucidate basin processes. Despite the considerable influence of mixing, a large number of pesticides were found associated with the suspended sediments. Few pesticides were found in the concurrent water samples and in concentrations much lower than predicted from equilibrium partitioning between the aqueous and sedimentary phases. The observed sediment-associated pesticide concentrations may reflect disequilibria between sedimentary and aqueous phases resulting from long equilibration times at locations where pesticides were applied, and relatively short transit times over which re-equilibration may occur.  相似文献   

8.
The Hudson-Raritan Estuary is one of several United States coastal areas where chemical data have suggested a potential for contaminant-related biological effects, and multiyear intensive bioeffects surveys have been conducted by the National Oceanic and Atmospheric Administration. The severity and spatial patterns in sediment toxicity were determined in an estuary-wide survey during spring 1991 using amphipods, bivalve larvae, and luminescent bacteria as test organisms. Spatial patterns in toxicity corresponded to the distributions of a number of toxic chemicals in the sediments. Areas that exhibited the greatest sediment toxicity included the upper East River, Arthur Kill, Newark Bay, and Sandy Hook Bay. The lower Hudson River adjacent to Manhattan Island, upper New York Harbor, lower New York Harbor off Staten Island, and parts of western Raritan Bay generally showed lower toxicity. Supporting chemical analyses of the sediments, including acid-volatile sulfide and simultaneously-extracted metals, suggested that metals were generally not the cause of the observed toxicity, with the possible exception of mercury. Among all contaminants analyzed, toxicity was most strongly associated with polynuclear aromatic hydrocarbons, which were substantially more concentrated in toxic samples than in nontoxic samples, and which frequently exceeded sediment quality criteria.  相似文献   

9.
Polycyclic aromatic hydrocarbon (PAH) and aliphatic hydrocarbon concentrations have been determined for sediments and associated pore waters collected at 2 sites (11 stations) in Puget Sound, Washington (northwest U.S.A.). These sediments have been contaminated to varying degrees by hydrocarbons from a creosote plant and from various combustion sources. PAH were not detected in pore waters of sediments whose PAH were primarily derived from combustion and natural sources, even though pore water concentrations predicted from sediment concentrations and two-phase equilibrium partitioning models were above detection limits from most PAH. Equilibrium partition coefficients calculated from field aqueous and solid phase data from an area contaminated with creosote agreed with laboratory-derived coefficients to within a factor of ± 4. Pore water concentrations of creosote-derived aliphatic hydrocarbons increase with increasing concentration in bulk sediments. However, pore water concentrations of natural and contaminant aliphatic hydrocarbons are much higher than predicted by solubility data, possibly due to association with nonfilterable dissolved organic matter and colloids. Other major factors controlling hydrocarbon pore water concentrations include differential hydrocarbon sources, specific particle associations and solubility.  相似文献   

10.
The blue crab,Callinectes sapidus, is an abundant and widely distributed species in the Chesapeake Bay. It also supports a valuable fishery. Minimal information concerning concentrations of toxic organic compounds in crustaceans of the southern Chesapeake Bay is currently available. As a consequence, a study to determine the tissue burdens and behavior of lipophilic polycylic aromatic compounds (PACs) in these organisms was undertaken. Highest concentrations of PACs were detected in hepatopancreas, followed by ovarian and muscle tissues. Extractable lipid levels in the tissues were positively correlated with organic xenobiotic concentrations. The major contaminants detected in blue crabs sampled from the southern bay were alkylated PACs, as opposed to unsubstituted polynuclear aromatic hydrocarbons which have been reported to predominate in molluscs and sediments of the bay. This dichotomy may be due to differences in contaminant bioavailability or in the relative abilities of the organisms to eliminate xenobiotics. Crabs from both heavily industrialized and relatively undeveloped areas, showed evidence of exposure. These data suggest that localized areas of contamination and episodic contaminant releases may result in xenobiotic body burdens in mobile/migratory species. Crabs acutely exposed to radiolabeled benzo(a)pyrene in the laboratory were capable of rapid bioaccumulation. After transfer to clean water, the organisms efficiently eliminated this material, although at a rate slower than that observed for accumulation. Evidence that ecdysis in crustaceans may affect the disposition of PACs was also witnessed in these experiments. Differences in tissue concentrations of benzo(a)pyrene derived material were observed between crabs of various sex, maturity, and molt stages.  相似文献   

11.
Chemical composition of 24 elements for sediments and suspended solids, water parameters and the diatoms from Yatsushiro Bay tidal flat, Kuma River, and Arase Dam have been determined to examine changes from 2002 to 2013. In 2002, sediment delivered to the bay by the Kuma River was restricted by the Arase Dam; however, in April 2010 two gates were opened and also repeated seasonal flushing allowing resumption of natural sediment transport. Bulk chemical composition of the tidal flat sediments has changed since 2002, with marked decreases in concentrations of As, Zn, Pb and total sulfur. Decreased heavy metal contents in 2012 and 2013 for bay sediments after opening the dam and repeated flushing is attributed to dilution by previously impounded quartz and feldspar. Restoration of natural sediment transport by opening the dam and repeated flushing has thus brought about a recovery in the Yatsushiro marine environment.  相似文献   

12.
The degree and the contribution of each point source to the pollution were determined in the Izmit Bay during the period 1999–2000. During 8 campaigns, samples from 11 points in the channels and water samples from 5 points in the coastal sea were collected for chemical analysis. The important pollutant parameters taken into account are inflow of total organic carbon (TOC), total suspended solids (TSS), total phosphorus (TP), total nitrogen (TN), nitrate, ortho-phosphate, ammonia and total polycyclic aromatic hydrocarbons (t-PAHs) in the discharge channels, and TOC, TSS, nitrate, ortho-phosphate, chlorophyll-a, temperature, dissolved oxygen (DO), and salinity in the coastal stations of the Bay. It should be pointed out that the industrial wastewaters entering the bay are partially treated but domestic wastes are discharged directly into the surface waters without any treatment. Of the pollution parameters measured in the channels, the highest concentrations, except TP, were observed in the Dil River and in the Eastern Channel. Concentrations of TOC, TSS, TN, TP, ammonia, nitrate and o-phosphate were found at concentrations of 231, 290, 152, 3.8, 16, 79, and 3.07 mg/L, respectively. Annual inflows of TOC were 21,301, 580, and 775 t/year and for TSS were 26,742, 585, and 1505 t/year in the western, central and eastern parts, respectively. The results show that the water quality of the bay has been deteriorated and 80% of the pollution was caused by Dil River for all parameters measured.  相似文献   

13.
The effect of organic matter on the sorption of dissolved organic matter (DOM) on lake sediments is critical to understanding the fate and transport of contaminants at the sediment–water interface in lake ecosystems. Results indicate that DOM sorption on sediment is largely due to ligand exchange between the DOM and hydroxyl groups, and the amount of DOC sorbed is a linear function of added DOC. With increasing organic matter content the sediment has lower binding strength, higher releasing ability for DOM, and the higher amount of DOM sorbed by sediment naturally. There was no clear difference before and after the sediment was treated with H2O2, but the constant b implied that after the sediments were treated DOC release was promoted. Organic matter in the sediment tends to impede the sorption of DOC and results in a remarkable decrease in DOC sorption rates.  相似文献   

14.
Sediments from the Mackenzie Valley — two suspended and one river bottom — were analyzed for major and minor elements, mineralogy, particle size, and ability to release trace metals when subjected to mild leaching. Copper and zinc in suspended sediments and cadmium in bottom sediment occurred largely (70 to 84 percent for Cu, 72 to 98 percent for Zn, 75 to 81 percent for Cd) in a form that could not easily be separated from the sediments by 0.1M HC1 and EDTA solutions. Cadmium was present in suspended sediments in low concentrations, and was present totally in sorbed leachable form. Iron, manganese, cobalt and chromium were separable from the particulate phase by mild leaching. It was found that approximately 70 hours were required for an apparent steady state concentration to be attained in such leachings. Reaction of these sediments with Beaufort Sea water (salinity 22.3 parts per thousand) indicated that both iron and manganese were released from sediments to sea water to a very small degree. Copper, lead, and zinc, however, were absorbed by sediments from sea water.  相似文献   

15.
Allochthonous inputs of suspended particulate matter from freshwater environments to estuaries influence nutrient cycling and ecosystem metabolism. Contributions of different biogeochemical reactions to phosphorus dynamics in Tomales Bay, California, were determined by measuring dissolved inorganic phosphorus exchange between water and suspended particulate matter in response to changes in salinity, pH, and sediment redox. In serum bottle incubations of suspended particulate matter collected from the major tributary to the bay, dissolved inorganic phosphorus release increased with salinity during the initial 8 h; between 1–3 d, however, rates of release were similar among treatments of 0 psu, 16 psu, 24 psu, and 32 psu. Release was variable over the pH range 4–8.5, but dissolved inorganic phosphorus releases from sediments incubated for 24 h at the pH of fresh water (7.3) and seawater (8.1) were similarly small. Under oxidizing conditions, dissolved inorganic phosphorus release was small or dissolved inorganic phosphorus was taken up by particulate matter with total P content <50 μmoles P g?1; release was greater from suspended particulate matter with total phosphorus content >50 μmoles P g?1. In contrast, under reducing conditions maintained by addition of free sulfide (HS?), dissolved inorganic phosphorus was released from particles at all concentrations of total phosphorus in suspended particulate matter, presumably from the reduction of iron oxides. Since extrapolated dissolved inorganic phosphorus release from this abiotic source can account for only 12.5% of the total dissolved inorganic phosphorus flux from Tomales Bay sediments, we conclude most release from particles is due to organic matter oxidation that occurs after estuarine deposition. The abiotic, sedimentary flux of dissolved inorganic phosphorus, however, could contribute up to 30% of the observed net export of dissolved inorganic phosphorus from the entire estuary.  相似文献   

16.
We examined high frequency fluctuations in water quality parameters in two tropical coastal plain estuaries in response to changing tidal flow conditions. The variability in total suspended sediments (TSS), volatile suspended solids (VSS), total organic carbon (TOC) concentrations, and indicators of water quality, including pH, temperature, salinity, and dissolved oxygen, over one spring tidal cycle during the early wet monsoon season was measured in two estuaries in eastern Sumatra. The relatively high rainfall experienced throughout the year, in combination with the recent extensive vegetation clearing and modification of the landscape, resulted in significant concentrations of TSS, VSS, and TOC being discharged to coastal waters. Maximum values are reached on the ebb tide (TSS > 1,013 mg l−1; VSS > 800 mg l−1; TOC >60 mg l−1). The influence of freshwater discharge and tidal flow on water properties of the lower estuaries is also marked by the variability in salinity, dissolved oxygen, and pH over the tidal cycle, with minimum values for each of these parameters following maximum current velocities and after the completion of the strong ebb tide. Estimation of seaward sediment fluxes, which are of significant interest in a region where rapid environmental change is occurring, would require further examination of sedimentary processes, such as resuspension and advection of sediment, as well as a consideration of neap-spring tidal variations and the effect of seasonality on estuarine circulation.  相似文献   

17.
《Applied Geochemistry》2001,16(11-12):1429-1445
Polycyclic aromatic hydrocarbons (PAHs) were measured in surface sediments and dated core sediments from the Pearl river and estuary, China, to investigate the spatial and temporal variability of anthropogenic pollutants. The sediments from the sampling stations at the Guangzhou channel have the highest concentrations of PAHs, owing to contributions from the large amount of urban/industrial discharges from the city of Guangzhou. The significant decrease of PAHs concentrations in sediments from the Shiziyang channel is mainly attributed to the increasing degradation and desorption of low molecular weight PAHs and alkyl PAHs, and the dilution by less contaminated water and particles from the East river. The PAH contaminants were concentrated on the western side in the Lingding bay of the Pearl river estuary because of the hydrodynamic and sedimentation conditions. Based on the characteristics of the parent compound distributions (PCDs) and the alkyl homologue distributions (AHDs) of PAHs, the potential source of PAHs in sediments from each sampling station was identified. Results indicated that the pyrogenic (combustion) source, characterized by the abundance of parent PAHs, were predominant in the heavily contaminated station (ZB01) near the aging industrial area, and the petrogenic (petroleum- derived) PAHs were more abundant in the stations (ZB02, ZB03) adjacent to the petrochemical plant and shipping harbor. Sediments from Lingding bay show variable distributions of PAH composition and variety in the proportion of combustion and petrogenic sources for the PAHs in different stations. Perylene, a naturally derived PAH, was found to be highly abundant in less contaminated stations. Analysis of the dated sediments (210Pb) indicates that higher PAH concentrations occurred in the sediments deposited after 1980, and higher fluxes of PAHs discharged to the Pearl river are found after 1990.  相似文献   

18.
Water column nutrients (nitrate, ammonium, soluble reactive phosphate, total Kjeldahl nitrogen, and total phosphorus) and suspended sediments (SS) were measured during one 44-h and two 28-h periods in March 1982 at two stations in Fourleague Bay, Louisiana, which is located at the mouth of the Atchafalaya River, a distributary of the Mississippi River. River water (a source of nitrate, total Kjeldahl nitrogen, total phosphorus, and suspended sediments to Fourleague Bay) flows into the upper reaches of the bay during high tide and frontal overrunning conditions with northerly and westerly winds. During one sampling period, decreasing wind speed and the rising tide resulted in Atchafalaya River water inundating the bay and nitrate concentrations in the upper bay increasing from 30–70 μM to 90–118 μM. Significant variations in nutrients associated with the movement of water masses from the river, marshes, and Gulf of Mexico occurred over several different time scales. Tidal transport occurred over 25-h periods, while frontal passages occurred at 3-d to 5-d intervals. Variability in nutrient and suspended sediment concentrations over these relatively short time scales can be as great as seasonal variability in the bay.  相似文献   

19.
The water, pore water, sediment, and fish samples were collected from the Hongfeng Reservoir in November 2003 and February 2004 in accordance with trace metal protocols. The average concentrations of total mercury (THg), dissolved mercury (DHg), reactive mercury, dissolved gaseous mercury, total methylmercury, and dissolved methylmercury in the water columns were 8.00, 5.70, 0.63, 0.05, 0.16, and 0.07 ng/L, respectively. THg and DHg in the water columns, THg in pore water and THg in lake sediments of the Hongfeng Reservoir showed the level of mercury in the Hongfeng Reservoir was higher than in other natural waters in the world due to the loading of a lot of waste water with relatively high concentrations of mercury, whereas methylmercury concentrations in fish (wet weight) varied from 1.73-51.00 ng/g, much lower than in most remote lakes and reservoirs reported in northern Europe and North America. Methylmercury distributions in pore water and sediments showed methylation occurred mainly in the upper several centimeters of sediment cores in the Hongfeng Reservoir. The concentrations of dissolved organic carbon, total suspended particles, total Hg, and methylmercury were higher at Houwu than those at Daba in November 2003. It is suggested that other pollutants such as N and P from fishing farm and other waste water at Houwu, which resulted in deterioration of water quality, affected the concentrations and distributions of mercury species in the reservoir.  相似文献   

20.
《Organic Geochemistry》1999,30(8):911-927
Adsorption of organic contaminants onto soils, sediments and other particulates has the potential to be a major controlling factor in their bioavailability, fate and behavior in the environment. Models for estimating the amount and stability of sorbed organic contaminants based on the fraction of organic carbon in a soil or sediment can oversimplify the process of sorption in the environment. In order to help understand sorption of organic contaminants in soils and sediments, we modeled various components of natural organic matter (NOM) that are possible substrates for sorption. These substrates include soot particles, lignin, humic and fulvic acids. The molecular scale interactions of selected aromatic hydrocarbons with different substrates were also simulated. Results of the simulations include the 3-D structures of the NOM components, changes in structure with protonation state and solvation and the sorption energy between PAH and substrate. This last parameter is an indicator of the amount of contaminant that will sorb and the energy required to free the contaminant from the substrate. Although the simulation results presented in this paper represent a first-order examination of NOM and contaminant interactions, the findings highlight a number of essential features that should be included in future molecular models of NOM and contaminant sorption.  相似文献   

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