Science.gov

Sample records for geochemistry water dynamics

  1. Geochemistry

    ERIC Educational Resources Information Center

    Ailin-Pyzik, Iris B.; Sommer, Sheldon E.

    1977-01-01

    Enumerates some of the research findings in geochemistry during the last year, including X-ray analysis of the Mars surface, trace analysis of fresh and esterarine waters, and analysis of marine sedements. (MLH)

  2. The Global Water Cycle Geochemistry, and Environment

    NASA Astrophysics Data System (ADS)

    Bricker, Owen P.

    In the preface the authors state, as reasons for producing this book, the need for an appropriate undergraduate-level text on water chemistry and the desire to provide broader coverage of atmospheric and environmental chemistry than is found in other existing books on this topic. They have attempted to write a book that could be understood by almost anyone with an elementarv knowledge of science, yet could still serve as a source of geochemical and environmental data for researchers in a variety of fields. The authors have succeeded admirably in achieving these difficult goals.

  3. Geochemistry and the understanding of ground-water systems

    USGS Publications Warehouse

    Glynn, Pierre D.; Plummer, L. Niel

    2005-01-01

    Geochemistry has contributed significantly to the understanding of ground-water systems over the last 50 years. Historic advances include development of the hydrochemical facies concept, application of equilibrium theory, investigation of redox processes, and radiocarbon dating. Other hydrochemical concepts, tools, and techniques have helped elucidate mechanisms of flow and transport in ground-water systems, and have helped unlock an archive of paleoenvironmental information. Hydrochemical and isotopic information can be used to interpret the origin and mode of ground-water recharge, refine estimates of time scales of recharge and ground-water flow, decipher reactive processes, provide paleohydrological information, and calibrate ground-water flow models. Progress needs to be made in obtaining representative samples. Improvements are needed in the interpretation of the information obtained, and in the construction and interpretation of numerical models utilizing hydrochemical data. The best approach will ensure an optimized iterative process between field data collection and analysis, interpretation, and the application of forward, inverse, and statistical modeling tools. Advances are anticipated from microbiological investigations, the characterization of natural organics, isotopic fingerprinting, applications of dissolved gas measurements, and the fields of reaction kinetics and coupled processes. A thermodynamic perspective is offered that could facilitate the comparison and understanding of the multiple physical, chemical, and biological processes affecting ground-water systems.

  4. Relating salt marsh pore water geochemistry patterns to vegetation zones and hydrologic influences

    NASA Astrophysics Data System (ADS)

    Moffett, Kevan B.; Gorelick, Steven M.

    2016-03-01

    Physical, chemical, and biological factors influence vegetation zonation in salt marshes and other wetlands, but connections among these factors could be better understood. If salt marsh vegetation and marsh pore water geochemistry coorganize, e.g., via continuous plant water uptake and persistently unsaturated sediments controlling vegetation zone-specific pore water geochemistry, this could complement known physical mechanisms of marsh self-organization. A high-resolution survey of pore water geochemistry was conducted among five salt marsh vegetation zones at the same intertidal elevation. Sampling transects were arrayed both parallel and perpendicular to tidal channels. Pore water geochemistry patterns were both horizontally differentiated, corresponding to vegetation zonation, and vertically differentiated, relating to root influences. The geochemical patterns across the site were less broadly related to marsh hydrology than to vegetation zonation. Mechanisms contributing to geochemical differentiation included: root-induced oxidation and nutrient (P) depletion, surface and creek-bank sediment flushing by rainfall or tides, evapotranspiration creating aerated pore space for partial sediment flushing in some areas while persistently saturated conditions hindered pore water renewal in others, and evapoconcentration of pore water solutes overall. The concentrated pore waters draining to the tidal creeks accounted for 41% of ebb tide solutes (median of 14 elements), including being a potentially toxic source of Ni but a slight sink for Zn, at least during the short, winter study period in southern San Francisco Bay. Heterogeneous vegetation effects on pore water geochemistry are not only significant locally within the marsh but may broadly influence marsh-estuary solute exchange and ecology.

  5. Dynamic groundwater flows and geochemistry in a sandy nearshore aquifer over a wave event

    NASA Astrophysics Data System (ADS)

    Malott, Spencer; O'Carroll, Denis M.; Robinson, Clare E.

    2016-07-01

    Dynamic coastal forcing influences the transport of pollutants in nearshore aquifers and their ultimate flux to coastal waters. In this study, field data are presented that show, for the first time, the influence of a period of intensified wave conditions (wave event) on nearshore groundwater flows and geochemistry in a sandy beach. Field measurements at a freshwater beach allow wave effects to be quantified without other complex forcing that are present along marine shorelines (e.g., tides). Pressure transducer data obtained over an isolated wave event reveal the development of transient groundwater flow recirculations. The groundwater flows were simulated in FEFLOW using a phase-averaged wave setup approach to represent waves acting on the sediment-water interface. Comparison of measured and simulated data indicates that consideration of wave setup alone is able to adequately capture wave-induced perturbations in groundwater flows. While prior studies have shown sharp pH and redox spatial zonations in nearshore aquifers, this study reveals rapid temporal variations in conductivity, pH, and redox (ORP) in shallow sediments (up to 0.5 m depth) in response to varying wave conditions. Comparison of head gradients with calculated conductivity and pH mixing ratios indicates the controlling effect of the wave-induced water exchange and flows in driving the observed geochemical dynamics. While we are not able to conclusively determine the extent to which temporal variations are caused by conservative mixing versus reactive processes, the pH and ORP variations observed will have significant implications for the fate of reactive pollutants discharging through sandy nearshore aquifers.

  6. Scale-dependent temporal variations in stream water geochemistry

    USGS Publications Warehouse

    Nagorski, S.A.; Moore, J.N.; McKinnon, T.E.; Smith, D.B.

    2003-01-01

    A year-long study of four western Montana streams (two impacted by mining and two "pristine") evaluated surface water geochemical dynamics on various time scales (monthly, daily, and bi-hourly). Monthly changes were dominated by snowmelt and precipitation dynamics. On the daily scale, post-rain surges in some solute and particulate concentrations were similar to those of early spring runoff flushing characteristics on the monthly scale. On the bi-hourly scale, we observed diel (diurnal-nocturnal) cycling for pH, dissolved oxygen, water temperature, dissolved inorganic carbon, total suspended sediment, and some total recoverable metals at some or all sites. A comparison of the cumulative geochemical variability within each of the temporal groups reveals that for many water quality parameters there were large overlaps of concentration ranges among groups. We found that short-term (daily and bi-hourly) variations of some geochemical parameters covered large proportions of the variations found on a much longer term (monthly) time scale. These results show the importance of nesting short-term studies within long-term geochemical study designs to separate signals of environmental change from natural variability.

  7. Scale-dependent temporal variations in stream water geochemistry.

    PubMed

    Nagorski, Sonia A; Moore, Iohnnie N; McKinnon, Temple E; Smith, David B

    2003-03-01

    A year-long study of four western Montana streams (two impacted by mining and two "pristine") evaluated surface water geochemical dynamics on various time scales (monthly, daily, and bi-hourly). Monthly changes were dominated by snowmelt and precipitation dynamics. On the daily scale, post-rain surges in some solute and particulate concentrations were similar to those of early spring runoff flushing characteristics on the monthly scale. On the bi-hourly scale, we observed diel (diurnal-nocturnal) cycling for pH, dissolved oxygen, water temperature, dissolved inorganic carbon, total suspended sediment, and some total recoverable metals at some or all sites. A comparison of the cumulative geochemical variability within each of the temporal groups reveals that for many water quality parameters there were large overlaps of concentration ranges among groups. We found that short-term (daily and bi-hourly) variations of some geochemical parameters covered large proportions of the variations found on a much longer term (monthly) time scale. These results show the importance of nesting short-term studies within long-term geochemical study designs to separate signals of environmental change from natural variability.

  8. Complex serpentinizing systems and the deep biosphere: metabolic opportunities depend on the geochemistry of mixing waters

    NASA Astrophysics Data System (ADS)

    Cardace, D.; Meyer-Dombard, D. R.; Hoehler, T. M.; Uzunlar, N.

    2010-12-01

    A suite of field sites located on or near serpentine associated with a peridotite from Turkey (southern strand of the Northern Anatolian Fault Zone) allow simultaneous evaluation of the geology, mineralogy, aqueous geochemistry, and microbiology. In this work, we present aqueous geochemistry of spring fluids tapping subsurface hydrological regimes impacted to differing extents by serpentinization of regionally important ultramafic blocks and also by ongoing hydrothermal activity and infiltration of meteoric water (see summary table below). We model the feasibility of metabolisms including sulfate reduction, iron oxidation, nitrate reduction, methanogenesis, and methanotrophy based on the geochemistry of spring, seep, and thermal well waters. We predict that microbiology should follow geochemistry in this subsurface environment, and clarify geochemical controls on chemosynthetic metabolisms in serpentinizing systems and systems in which serpentinization co-occurs with other geological processes, in relevant mixing scenarios. The finding that subsurface mafic and ultramafic rock formations can, and apparently do (see companion poster, Meyer-Dombard et al.), host microbial life has direct implications for origin of life debates and astrobiology.

  9. Geochemistry and the understanding of ground-water systems

    NASA Astrophysics Data System (ADS)

    Glynn, Pierre D.; Plummer, L. Niel

    2005-03-01

    Geochemistry has contributed significantly to the understanding of ground-water systems over the last 50 years. Historic advances include development of the hydrochemical facies concept, application of equilibrium theory, investigation of redox processes, and radiocarbon dating. Other hydrochemical concepts, tools, and techniques have helped elucidate mechanisms of flow and transport in ground-water systems, and have helped unlock an archive of paleoenvironmental information. Hydrochemical and isotopic information can be used to interpret the origin and mode of ground-water recharge, refine estimates of time scales of recharge and ground-water flow, decipher reactive processes, provide paleohydrological information, and calibrate ground-water flow models. Progress needs to be made in obtaining representative samples. Improvements are needed in the interpretation of the information obtained, and in the construction and interpretation of numerical models utilizing hydrochemical data. The best approach will ensure an optimized iterative process between field data collection and analysis, interpretation, and the application of forward, inverse, and statistical modeling tools. Advances are anticipated from microbiological investigations, the characterization of natural organics, isotopic fingerprinting, applications of dissolved gas measurements, and the fields of reaction kinetics and coupled processes. A thermodynamic perspective is offered that could facilitate the comparison and understanding of the multiple physical, chemical, and biological processes affecting ground-water systems. La géochimie a contribué de façon importante à la compréhension des systèmes d'eaux souterraines pendant les 50 dernières années. Les avancées ont portées sur le développement du concept des faciès hydrochimiques, sur l'application de la théorie des équilibres, l'étude des processus d'oxydoréduction, et sur la datation au radiocarbone. D'autres concepts, outils et

  10. Geochemistry of surface and pore water at USGS coring sites in wetlands of South Florida, 1994 and 1995

    USGS Publications Warehouse

    Orem, William H.; Lerch, Harry E.; Rawlik, Peter

    2002-01-01

    In this report, we present preliminary data on surface and pore water geochemistry from 22 sites in south Florida sampled during 1994 and 1995. These results are part of a larger study designed to evaluate the role of biogeochemical processes in sediments in the cycling of carbon, nitrogen, phosphorus, and sulfur in the south Florida ecosystem. The data are briefly discussed in regard to regional trends in the concentrations of chemical species, and general diagenetic processes in sediments. These results are part of a larger study designed to evaluate the role of biogeochemical processes in sediments in the cycling of carbon, nitrogen, phosphorus, and sulfur in the south Florida ecosystem. These elements play a crucial role in regulating organic sedimentation, nutrient dynamics, redox conditions, and the biogeochemistry of mercury in the threatened wetlands of south Florida. Pore water samples for chemical analyis were obtained using a piston corer/squeezer designed to avoid compression of the sediment and avoid oxidation and contamination of the pore water samples. Results show distinct regional trends in both surface water and pore water geochemistry. Most chemical species in surface and pore water show peak concentrations in Water Conservation Area 2A, with diminishing concentrations to the south and west into Water Conservation Area 3A, and Everglades National Park. The largest differences observed were for phosphate and sulfide, with concentrations in pore waters in Water Conservation Area 2A up to 500x higher than concentrations observed in freshwater marsh areas of Water Conservation Area 3A and Everglades National Park. Sites near the Hillsboro Canal in Water Conservation Area 2A are heavily contaminated with both phosphorus and sulfur. Pore water profiles for dissolved reactive phosphate suggest that recycling of phosphorus at these contaminated sites occurs primarily in the upper 20 cm of sediment. High levels of sulfide in pore water in Water

  11. The lipid geochemistry of interstitial waters of recent marine sediments

    SciTech Connect

    Saliot, A.; Brault, M.; Boussuge, C. )

    1988-04-01

    To elucidate the nature of biogeochemical processes occurring at the water-sediment interface, the authors have analyzed fatty acids, n-alkanes and sterols contained in interstitial waters collected from oxic and anoxic marine sediments in the eastern and western intertropical Atlantic Ocean and in the Arabian Sea. Lipid concentrations in interstitial waters vary widely and are generally much higher than concentrations encountered in the overlying sea water. Higher concentrations in interstitial water are observed in environments favorable for organic input and preservation of the organic matter in the water column and in the surficial sediment. The analysis of biogeochemical markers in the various media of occurrence of the organic matter such as sea water, suspended particles, settling particles and sediment is discussed in terms of differences existing between these media and bio-transformations of the organic matter at the water-sediment interface.

  12. Ground-water quality and geochemistry, Carson Desert, western Nevada

    USGS Publications Warehouse

    Lico, Michael S.; Seiler, R.L.

    1994-01-01

    Aquifers in the Carson Desert are the primary source of drinking water, which is highly variable in chemical composition. In the shallow basin-fill aquifers, water chemistyr varies from a dilute calcium bicarbonate-dominated water beneath the irrigated areas to a saline sodium chloride- dominated water beneath unirrigated areas. Water samples from the shallow aquifers commonly have dissolved solids, chloride, magnesium, sulfate, arsenic, and manganese concentrations that exceed State of Nevada drinking-water standards. Water in the intermediante basin-fill aquifers is a dilute sodium bicarbonate type in the Fallon area and a distinctly more saline sodium chloride type in the Soda Lake-Upsal Hogback area. Dissolved solids, chloride, arsenic, fluoride, and manganese concen- trations commonly exceed drinking-water standards. The basalt aquifer contains a dilute sodium bicarbonate chloride water. Arsenic concentrations exceed standards in all sampled wells. The concen- trations of major constituents in ground water beneath the southern Carson Desert are the result of evapotranspiration and natural geochemical reactions with minerals derived mostly from igneous rocks. Water with higher concentrations of iron and manganese is near thermodynamic equilibrium with siderite and rhodochrosite and indicates that these elements may be limited by the solubility of their respective carbonate minerals. Naturally occurring radionuclides (uranium and radon-222) are present in ground water from the Carson Desert in concen- tratons higher than proposed drinking-water standards. High uranium concentrations in the shallow aquifers may be caused by evaporative concentration and the release of uranium during dissolution of iron and manganese oxides or the oxidation of sedimentary organic matter that typically has elevated uranium concentrations. Ground water in the Carson Desert does not appear to have be contaminated by synthetic organic chemicals.

  13. Geochemistry of spring water, southeastern Uinta Basin, Utah and Colorado

    USGS Publications Warehouse

    Kimball, Briant A.

    1981-01-01

    The chemical quality of water in the southeastern Uinta Basin, Utah and Colorado, is important to the future development of the abundant oil-shale resources of the area. This report examines the observed changes in chemistry as water circulates in both shallow and deep ground-water systems. Mass-balance and mass-transfer calculations are used to define reactions that simulate the observed water chemistry in the mixed sandstone, siltstone, and carbonate lithology of the Green River Formation of Tertiary age. The mass-transfer calculations determine a reaction path particular to this system. The early dominance of calcite dissolution produces a calcium carbonate water. After calcite saturation, deeper circulation and further rock-water interaction cause the reprecipitation of calcite, the dissolution of dolomite and plagioclase, and the oxidation of pyrite; all combining to produce a calcium magnesium sodium bicarbonate sulfate water. The calculations suggest that silica concentrations are controlled by a kaolinite-Ca-montmorillonite phase boundary. Close agreement of mineral-saturation indices calculated by both an aqueous-equilibrium model and the mass-transfer model support the selection of reactions from the mass-transfer calculations.

  14. Geochemistry of Standard Mine Waters, Gunnison County, Colorado, July 2009

    USGS Publications Warehouse

    Verplanck, Philip L.; Manning, Andrew H.; Graves, Jeffrey T.; McCleskey, R. Blaine; Todorov, Todor; Lamothe, Paul J.

    2009-01-01

    In many hard-rock-mining districts water flowing from abandoned mine adits is a primary source of metals to receiving streams. Understanding the generation of adit discharge is an important step in developing remediation plans. In 2006, the U.S. Environmental Protection Agency listed the Standard Mine in the Elk Creek drainage basin near Crested Butte, Colorado as a superfund site because drainage from the Standard Mine enters Elk Creek, contributing dissolved and suspended loads of zinc, cadmium, copper, and other metals to the stream. Elk Creek flows into Coal Creek, which is a source of drinking water for the town of Crested Butte. In 2006 and 2007, the U.S. Geological Survey undertook a hydrogeologic investigation of the Standard Mine and vicinity and identified areas of the underground workings for additional work. Mine drainage, underground-water samples, and selected spring water samples were collected in July 2009 for analysis of inorganic solutes as part of a follow-up study. Water analyses are reported for mine-effluent samples from Levels 1 and 5 of the Standard Mine, underground samples from Levels 2 and 3 of the Standard Mine, two spring samples, and an Elk Creek sample. Reported analyses include field measurements (pH, specific conductance, water temperature, dissolved oxygen, and redox potential), major constituents and trace elements, and oxygen and hydrogen isotopic determinations. Overall, water samples collected in 2009 at the same sites as were collected in 2006 have similar chemical compositions. Similar to 2006, water in Level 3 did not flow out the portal but was observed to flow into open workings to lower parts of the mine. Many dissolved constituent concentrations, including calcium, magnesium, sulfate, manganese, zinc, and cadmium, in Level 3 waters substantially are lower than in Level 1 effluent. Concentrations of these dissolved constituents in water samples collected from Level 2 approach or exceed concentrations of Level 1 effluent

  15. Geochemistry of oil-field water from the North Slope

    SciTech Connect

    Kharaka, Y.K.; Carothers, W.W.

    1989-01-01

    Knowledge of the chemical composition of oil-field water is important in understanding the origin and migration of petroleum as well as the water mineral reactions that affect the porosity and permeability of the reservoir rocks. This knowledge is essential in interpreting electric logs and in determining potential pollution, corrosion, and disposal problems of water produced with oil and gas. Finally, the chemical composition of water is an important factor in determining the conditions (temperature, pressure) for the formation of clathrates. This chapter reports detailed chemical analyses of seven formation-water samples from wells within the NPRA and one surface-and two formation-water samples from the Prudhoe Bay oil field. The authors also report {delta}D and {delta}{sup 18}O values for eight of the water samples as well as analyses for gases from six wells. The formation-water samples were obtained from depths ranging from about 700 to 2800 m and from reservoir rocks ranging in age from Mississippian (Lisburne Group) to Triassic. The reservoir rocks are sandstone except for sample 79-AK-5, which was obtained from a limestone interbedded with sandstone. Generally, the pre-Cretaceous sandstone reservoir rocks on the North Slope have a similar mineral composition. Van de Kamp (1979) gave the following description of these sandstones: Quartz (usually monocrystalline) and chert are the major components; carbonate and clay are variable. Carbonate occurs as detrital grains and as cement, siderite being the most common type. Siderite can form as much as 30 percent of the rock. Clay occurs as a common matrix, generally making up less than 10 percent of the rock. Accessory minerals include pyrite, plagioclase, microcline, glauconite, zircon, sphene, tourmaline, and muscovite.

  16. Thermal Water's Isotope Geochemistry Study of Evros Area, NE Greece

    NASA Astrophysics Data System (ADS)

    Elissavet, Dotsika; Paraskevi, Chantzi

    2016-10-01

    Thermal waters from Evros area were collected and subjected to chemical and isotopic analysis in order to understand all the physicochemical mechanisms (mixing, dilution, precipitating) that contribute to the shallow and deep geothermal water tables and determine the origin of these fluids as well as their mineralization. Physicochemical characteristics EC, T°C, pH was determined at the field. The ionic concentrations of samples indicate solutions with high salinity. Two chemical water types were arisen: Na-SO4 concerning low temperatures and shallow aquifers and Na- Cl concerning high temperatures and deeper geothermal circulation. The ratio Br/Cl definitely considered marine origin indicator is the same as the sea confirming the involvement of the seawater in the geothermal system. The marine component and water-rock interaction process under high temperatures seem to contribute to the mineralization of thermal waters. Moreover, water-rock interaction process is also responsible for the alternation of δ18O values. Geothermometers concluded to a middle enthalpy geothermal field.

  17. Coral skeletal geochemistry as a monitor of inshore water quality.

    PubMed

    Saha, Narottam; Webb, Gregory E; Zhao, Jian-Xin

    2016-10-01

    Coral reefs maintain extraordinary biodiversity and provide protection from tsunamis and storm surge, but inshore coral reef health is degrading in many regions due to deteriorating water quality. Deconvolving natural and anthropogenic changes to water quality is hampered by the lack of long term, dated water quality data but such records are required for forward modelling of reef health to aid their management. Reef corals provide an excellent archive of high resolution geochemical (trace element) proxies that can span hundreds of years and potentially provide records used through the Holocene. Hence, geochemical proxies in corals hold great promise for understanding changes in ancient water quality that can inform broader oceanographic and climatic changes in a given region. This article reviews and highlights the use of coral-based trace metal archives, including metal transported from rivers to the ocean, incorporation of trace metals into coral skeletons and the current 'state of the art' in utilizing coral trace metal proxies as tools for monitoring various types of local and regional source-specific pollution (river discharge, land use changes, dredging and dumping, mining, oil spills, antifouling paints, atmospheric sources, sewage). The three most commonly used coral trace element proxies (i.e., Ba/Ca, Mn/Ca, and Y/Ca) are closely associated with river runoff in the Great Barrier Reef, but considerable uncertainty remains regarding their complex biogeochemical cycling and controlling mechanisms. However, coral-based water quality reconstructions have suffered from a lack of understanding of so-called vital effects and early marine diagenesis. The main challenge is to identify and eliminate the influence of extraneous local factors in order to allow accurate water quality reconstructions and to develop alternate proxies to monitor water pollution. Rare earth elements have great potential as they are self-referencing and reflect basic terrestrial input.

  18. Geochemistry of clathrate-derived methane in Arctic Ocean waters

    SciTech Connect

    Elliott, S.M.; Reagan, M.T.; Moridis, G.J.; Cameron-Smith, P.J.

    2010-03-15

    Alterations to the composition of seawater are estimated for microbial oxidation of methane from large polar clathrate destabilizations, which may arise in the coming century. Gas fluxes are taken from porous flow models of warming Arctic sediment. Plume spread parameters are then used to bracket the volume of dilution. Consumption stoichiometries for the marine methanotrophs are based on growth efficiency and elemental/enzyme composition data. The nutritional demand implied by extra CH{sub 4} removal is compared with supply in various high latitude water masses. For emissions sized to fit the shelf break, reaction potential begins at one hundred micromolar and falls to order ten a thousand kilometers downstream. Oxygen loss and carbon dioxide production are sufficient respectively to hypoxify and acidify poorly ventilated basins. Nitrogen and the monooxygenase transition metals may be depleted in some locations as well. Deprivation is implied relative to existing ecosystems, along with dispersal of the excess dissolved gas. Physical uncertainties are inherent in the clathrate abundance, patch size, outflow buoyancy and mixing rate. Microbial ecology is even less defined but may involve nutrient recycling and anaerobic oxidizers.

  19. Long-term agricultural non-point source pollution loading dynamics and correlation with outlet sediment geochemistry

    NASA Astrophysics Data System (ADS)

    Ouyang, Wei; Jiao, Wei; Li, Xiaoming; Giubilato, Elisa; Critto, Andrea

    2016-09-01

    Some agricultural non-point source (NPS) pollutants accumulate in sediments in the outlet sections of watersheds. It is crucial to evaluate the historical interactions between sediment properties and watershed NPS loading. Therefore, a sediment core from the outlet of an agricultural watershed was collected. The core age was dated using the 210Pb method, and sedimentation rates were determined using the constant rate of supply (CRS) model. The total nitrogen (TN), total phosphorus (TP), Cd, Pb, Cu, Ni and Cr accumulations in the sediment generally showed fluctuating increases, with the highest sedimentation fluxes all occurring in approximately 1998. The measurement of specific mass sedimentation rates reflected a record of watershed soil erosion dynamics. Using SWAT (Soil and Water Assessment Tool) to simulate long-term watershed agricultural NPS pollution loadings, the historical interactions between sediment properties and NPS loadings were further evaluated. The N leaching process weakened these interactions, but the historical accumulations of TP and heavy metals in sediments generally correlated well with watershed NPS TP loading. The regression analysis suggested that Pb and Cr were the most suitable indexes for assessing long-term NPS TN and TP pollution, respectively. Assessing the NPS loading dynamics using the vertical characteristics of sediment geochemistry is a new method.

  20. Environmental geochemistry for surface and subsurface waters in the Pajarito Plateau and outlying areas, New Mexico

    SciTech Connect

    Blake, W.D.; Goff, F.; Adams, A.I.; Counce, D.

    1995-05-01

    This report provides background information on waters in the Los Alamos and Santa Fe regions of northern New Mexico. Specifically, the presented data include major element, trace element, and isotope analyses of 130 water samples from 94 different springs, wells, and water bodies in the area. The region considered in this study extends from the western edge of the Valles Caldera to as far east as Santa Fe Lake. For each sample, the presented analysis includes fourteen different major elements, twenty-six trace elements, up to five stable isotopes, and tritium. In addition, this data base contains certain characteristics of the water that are calculated from the aforementioned raw data, including the water`s maximum and minimum residence times, as found from tritium levels assuming no contamination, the water`s recharge elevation, as found from stable isotopes, and the charge balance of the water. The data in this report are meant to provide background information for investigations in groundwater hydrology and geochemistry, and for environmental projects. For the latter projects, the presented information would be useful for determining the presence of contamination it any one location by enabling one to compare potential contaminant levels to the background levels presented here. Likely locations of interest are those possibly effected by anthropogenic activities, including locations in and around Los Alamos National Laboratory, White Rock Canyon, and developed areas in the Rio Grande Valley.

  1. Hydrology, geochemistry and geothermal aspects of the thermal waters from Switzerland and adjacent alpine regions

    NASA Astrophysics Data System (ADS)

    Vuataz, François-David

    1983-11-01

    Waters of 19 thermal areas in Switzerland and adjacent alpine regions were studied to acquire a better knowledge of their deep thermal circulation, geochemistry and low-temperature geothermal potential. A systematic multisampling and multitracing program was executed over a complete hydrologic cycle for each of the 19 thermal areas. Pertinent physical, chemical and isotopic parameters were measured and analyzed on thermal and nonthermal waters during nine sampling periods. Thermal water occurrences are generally related either to Triassic evaporites or to the weathered and fractured zone between crystalline basements (or ranges) and their sedimentary cover. Emergence areas are located in faulted or overthrust zones. Sulfate and calcium are the two principal ions responsible for the mineralization of most thermal waters. Actually, gypsum and anhydrite are more often encountered in Triassic evaporites than halite. Many variations of the water geochemistry, caused by seasonal changes, have been recorded during the hydrologic cycle. From mineralization, temperature and discharge variations, it has been possible to distinguish fast or delayed responses to rain or snow-melt events and mixing between deep-thermal and shallow-cold waters. Chemical geothermometers were tested on these warm waters. The chalcedony and Na-K-Ca geothermometers seem to be the only ones which display calculated temperatures in reasonable agreement with known local geothermal gradients or bottom-hole temperatures. The majority of inferred reservoir temperatures ranges from 40° to 60°C. Oxygen-18 and deuterium results show that most thermal waters fit along the meteoric water line, with some exceptions due to Mediterranean precipitation, possible water-rock isotopic exchange or mixing with connate waters. A regional oxygen-18 gradient has been established with altitude in order to locate and determine the elevation of intake areas. Tritium is very useful in the detection of mixing between deep

  2. Ground water geochemistry of Ballia district, Uttar Pradesh, India and mechanism of arsenic release.

    PubMed

    Chauhan, Vivek Singh; Nickson, R T; Chauhan, Divya; Iyengar, L; Sankararamakrishnan, Nalini

    2009-03-01

    Threat to human health worldwide due to the natural contamination of arsenic in ground waters has led to extensive studies on factors controlling the distribution of arsenic and conditions leading to arsenic mobilization in different arsenic contaminated areas. Another aspect of the arsenic crisis, especially in South Asia, is the degree of spatial variability of ground water arsenic concentrations. Thus it becomes necessary to study the source and the processes involved in arsenic mobilization into ground water under such conditions. An arsenic contaminated area namely, Ballia district of UP was chosen for this study. A set of 56 samples were collected from India Mark II hand pumps (30-33 m depth) thrice in a year namely pre-monsoon (April '07), monsoon (July '06) and winter seasons (December '06). Nine samples were also collected from deep bore well hand pumps (66-75 m) to study the difference in geochemistry with the shallow pumps. Various water quality parameters like As(III), As(V), sulfate, nitrate, phosphate, bicarbonate, ammonia, were determined. Arsenic concentrations ranged from 0 to 468 microg L(-1) in ground water collected from depths of 30-33 m. In the deeper wells (66-75 m), arsenic concentrations ranged from 12 to 20 microg L(-1). Most samples contained both As(III) and As(V) and the concentration of As(III) was generally equal/higher than As(V). Not much variation of arsenic concentration was observed when sampled in summer, monsoon and winter seasons. Correlation studies among various water quality parameters revealed that reductive dissolution of FeOOH was the most probable mechanism for release of arsenic.

  3. Geochemistry of Surface and Ground Water in Cement Creek from Gladstone to Georgia Gulch and in Prospect Gulch, San Juan County, Colorado

    USGS Publications Warehouse

    Johnson, Raymond H.; Wirt, Laurie; Manning, Andrew H.; Leib, Kenneth J.; Fey, David L.; Yager, Douglas B.

    2007-01-01

    In San Juan County, Colo., the effects of historical mining continue to contribute metals to ground water and surface water. Previous research by the U.S. Geological Survey identified ground-water discharge as a significant pathway for the loading of metals to surface water in the upper Animas River watershed from both acid-mine drainage and acid-rock drainage. In support of this ground-water research effort, Prospect Gulch was selected for further study and the geochemistry of surface and ground water in the area was analyzed as part of four sampling plans: (1) ten streamflow and geochemistry measurements at five stream locations (four locations along Cement Creek plus the mouth of Prospect Gulch from July 2004 through August 2005), (2) detailed stream tracer dilution studies in Prospect Gulch and in Cement Creek from Gladstone to Georgia Gulch in early October 2004, (3) geochemistry of ground water through sampling of monitoring wells, piezometers, mine shafts, and springs, and (4) samples for noble gases and tritium/helium for recharge temperatures (recharge elevation) and ground-water age dating. This report summarizes all of the surface and ground-water data that was collected and includes: (1) all sample collection locations, (2) streamflow and geochemistry, (3) ground-water geochemistry, and (4) noble gas and tritium/helium data.

  4. Salt marsh pore water geochemistry does not correlate with microbial community structure

    NASA Astrophysics Data System (ADS)

    Koretsky, Carla M.; Van Cappellen, Philippe; DiChristina, Thomas J.; Kostka, Joel E.; Lowe, Kristi L.; Moore, Charles M.; Roychoudhury, Alakendra N.; Viollier, Eric

    2005-01-01

    Spatial and temporal trends in pore water geochemistry and sediment microbial community structure are compared at three intertidal sites of a saltmarsh on Sapelo Island, GA. The sites include a heavily bioturbated, unvegetated creek bank, a levee with dense growth of Spartina alterniflora, and a more sparsely vegetated ponded marsh site. The redox chemistry of the pore waters ranges from sulfide-dominated at the ponded marsh site to suboxic at the creek bank site. At the three sites, the vertical redox stratification of the pore waters is more compressed in summer than in winter. The trends in redox chemistry reflect opposing effects of sediment respiration and pore water irrigation. Intense and deep burrowing activity by fiddler crabs at the creek bank site results in the efficient oxidation of reduced byproducts of microbial metabolism and, hence, the persistence of suboxic conditions to depths of 50 cm below the sediment surface. Increased supply of labile organic substrates at the vegetated sites promotes microbial degradation processes, leading to sharper redox gradients. At the levee site, this is partly offset by the higher density and deeper penetration of roots and macrofaunal burrows. Surprisingly, the microbial community structure shows little correlation with the variable vertical redox zonation of the pore waters across the saltmarsh. At the three sites, the highest population densities of aerobic microorganisms, iron- plus manganese-reducing bacteria, and sulfate reducers coexist within the upper 10 cm of sediment. The absence of a clear vertical separation of these microorganisms is ascribed to the high supply of labile organic matter and intense mixing of the topmost sediment via bioturbation.

  5. Organic geochemistry and pore water chemistry of sediments from Mangrove Lake, Bermuda

    USGS Publications Warehouse

    Hatcher, P.G.; Simoneit, B.R.T.; MacKenzie, F.T.; Neumann, A.C.; Thorstenson, D.C.; Gerchakov, S.M.

    1982-01-01

    Mangrove Lake, Bermuda, is a small coastal, brackish-water lake that has accumulated 14 m of banded, gelatinous, sapropelic sediments in less than 104 yr. Stratigraphic evidence indicates that Mangrove Lake's sedimentary environment has undergone three major depositional changes (peat, freshwater gel, brackish-water gel) as a result of sea level changes. The deposits were examined geochemically in an effort to delineate sedimentological and diagenetic changes. Gas and pore water studies include measurements of sulfides, ammonia, methane, nitrogen gas, calcium, magnesium, chloride, alkalinity, and pH. Results indicate that sulfate reduction is complete, and some evidence is presented for bacterial denitrification and metal sulfide precipitation. The organic-rich sapropel is predominantly algal in origin, composed mostly of carbohydrates and insoluble macromolecular organic matter called humin with minor amounts of proteins, lipids, and humic acids. Carbohydrates and proteins undergo hydrolysis with depth in the marine sapropel but tend to be preserved in the freshwater sapropel. The humin, which has a predominantly aliphatic structure, increases linearly with depth and composes the greatest fraction of the organic matter. Humic acids are minor components and are more like polysaccharides than typical marine humic acids. Fatty acid distributions reveal that the lipids are of an algal and/or terrestrial plant source. Normal alkanes with a total concentration of 75 ppm exhibit two distribution maxima. One is centered about n-C22 with no odd/even predominance, suggestive of a degraded algal source. The other is centered at n-C31 with a distinct odd/even predominance indicative of a vascular plant origin. Stratigraphic changes in the sediment correlate to observed changes in the gas and pore water chemistry and the organic geochemistry. ?? 1982.

  6. One-carbon (bio?)geochemistry in subsurface waters of the serpentinizing Coast Range Ophiolite

    NASA Astrophysics Data System (ADS)

    Hoehler, T. M.; McCollom, T.; Schrenk, M. O.; Kubo, M.; Cardace, D.

    2011-12-01

    Serpentinization - the aqueous alteration of ultramafic rocks - typically imparts a highly reducing and alkaline character to the reacting fluids. In turn, these can influence the speciation and potential for metabolism of one-carbon compounds in the system. We examined the aqueous geochemistry and assessed the biological potential of one-carbon compounds in the subsurface of the McLaughlin Natural Reserve (Coast Range Ophiolite, California, USA). Fluids from wells sunk at depths of 25-90 meters have pH values ranging from 9.7 to 11.5 and dissolved inorganic carbon (DIC concentrations) generally below 60 micromolar. Methane is present at concentrations up to 1.3 millimolar (approximately one-atmosphere saturation), and hydrogen concentrations are below 15 nanomolar, suggesting active consumption of H2 and production of CH4. However, methane production from CO2 is thermodynamically unfavorable under these conditions. Additionally, the speciation of DIC predominantly into carbonate at these high pH values creates a problem of carbon availability for any organisms that require CO2 (or bicarbonate) for catabolism or anabolism. A potential alternative is carbon monoxide, which is present in these waters at concentrations 2000-fold higher than equilibrium with atmospheric CO. CO is utilized in a variety of metabolisms, including methanogenesis, and bioavailability is not adversely affected by pH-dependent speciation (as for DIC). Methanogenesis from CO under in situ conditions is thermodynamically favorable and would satisfy biological energy requirements with respect to both Gibbs Energy yield and power.

  7. One-carbon (bio ?) Geochemistry in Subsurface Waters of the Serpentinizing Coast Range Ophiolite

    NASA Technical Reports Server (NTRS)

    Hoehler, Tori M.; Mccollom, Tom; Schrenk, Matt; Cardace, Dawn

    2011-01-01

    Serpentinization - the aqueous alteration of ultramafic rocks - typically imparts a highly reducing and alkaline character to the reacting fluids. In turn, these can influence the speciation and potential for metabolism of one-carbon compounds in the system. We examined the aqueous geochemistry and assessed the biological potential of one-carbon compounds in the subsurface of the McLaughlin Natural Reserve (Coast Range Ophiolite, California, USA). Fluids from wells sunk at depths of 25-90 meters have pH values ranging from 9.7 to 11.5 and dissolved inorganic carbon (DIC concentrations) generally below 60 micromolar. Methane is present at concentrations up to 1.3 millimolar (approximately one-atmosphere saturation), and hydrogen concentrations are below 15 nanomolar, suggesting active consumption of H2 and production of CH4. However, methane production from CO2 is thermodynamically unfavorable under these conditions. Additionally, the speciation of DIC predominantly into carbonate at these high pH values creates a problem of carbon availability for any organisms that require CO2 (or bicarbonate) for catabolism or anabolism. A potential alternative is carbon monoxide, which is present in these waters at concentrations 2000-fold higher than equilibrium with atmospheric CO. CO is utilized in a variety of metabolisms, including methanogenesis, and bioavailability is not adversely affected by pH-dependent speciation (as for DIC). Methanogenesis from CO under in situ conditions is thermodynamically favorable and would satisfy biological energy requirements with respect to both Gibbs Energy yield and power.

  8. The Dynamics of Flowing Waters.

    ERIC Educational Resources Information Center

    Mattingly, Rosanna L.

    1987-01-01

    Describes a series of activities designed to help students understand the dynamics of flowing water. Includes investigations into determining water discharge, calculating variable velocities, utilizing flood formulas, graphing stream profiles, and learning about the water cycle. (TW)

  9. A Water Geochemistry Study of Indian Wells Valley, Inyo and Kern Counties, California, Volume 1. Geochemistry Study and Appendix A

    DTIC Science & Technology

    1989-09-01

    8217 OWENSI JLAKE 3 M NAP CENTER BOUNDARY _ ANELE AREA <Approximate :R., boundary of ..... ground-water basin COSO RANGE 36000 - £ I~VALLEY! /\\. . ROSE...the minerals with I exchange properties to be zeolites . We believe that clays in the alluvium and valleysediments are more probably the minerals

  10. Trace Element and As Geochemistry of Surface Waters around Mammoth Mountain, CA

    NASA Astrophysics Data System (ADS)

    Hunt, K. M.; Ellis, A. S.; Raskin, S.; Khachikian, C.

    2012-12-01

    Mammoth Mountain has been studied because of high CO2 emissions since a 1989 earthquake swarm. The current study is part of ongoing research that is investigating the relationship between the elevated CO2 and the mountain's hydrosphere and mineral weathering. This project builds upon previous analyses of major ion chemistry of Mammoth Mountain springs by analyzing the trace element and contaminant geochemistry. Analyses show variations in both trace/minor elements and contaminants. Sr values vary from less than 0.04 to more than 200(μg/L), and are positively correlated to Ca. Sr and Ca have similar chemical behavior and Sr can replace Ca in silicate minerals. Globally, waters draining silicates have low Ca/Na and Sr/Na ratios (Gaillardet et. Al 1999). Molar ratios for the springs in this study plot on a mixing line between the largely felsic silicates known to compose the area around Mammoth Mountain and the more mafic silicates in the Devils Post Pile area. However, the Sr/Na ratio was high, causing the values to shift to the right of Gaillardet's line for global silicate weathering. This may indicate differential mineral weathering but more research is necessary. Arsenic is present in values ranging from less than 0.03 to more than 200(μg/L). The U.S EPA maximum contaminant level for As is 10ppb and six sample locations were above the MCL. A study of Eastern Sierra Nevada rivers shows that possible sources of As are weathering of As-rich rocks, volcanic deposits, and input of high-As geothermal spring waters (Johannesson et al. 1997). In Hot Creek, located in the Owens Valley near Mammoth Mountain, elevated As concentrations have been shown to be the result of geothermal inputs (Hering 1997).

  11. Geochemistry of the Deep Water Bamboo Coral Isidella; Intermediate Depth and Surface Ocean Chemical Recorder

    NASA Astrophysics Data System (ADS)

    Spero, H. J.; Jang, N. A.; Adkins, J. F.

    2003-12-01

    Geochemical analyses of deep water corals have provided a wealth of data on past ocean circulation and chemical changes. Information obtained from these carbonate precipitating organisms generally reflects ambient conditions at the depth of growth. The bamboo coral, Isidella sp., belongs to a group of deep water Octocorals that live at intermediate ocean depths ( ˜200-1500m) and produce a calcite skeleton that is divided by proteinaceous gorgonin internodes. Because, the calcite and organic regions of the skeleton are precipitated simultaneously, their chemistries are temporally coupled. Stable isotope, radiocarbon and 210Pb data were obtained from several specimens of Isidella sp. that were collected in fishing dredges from the outer continental shelf near Pt. Reyes, CA (38° N 123.4° W ˜220 m). 210Pb analyses on one of the specimens suggests the coral was ~15-80 years old. δ 13C and δ 18O data from the calcite skeleton display the typical nonequilibrium covariation that has been described previously, thereby limiting the use of these data in reconstructing environmental temperatures. Although δ 13C analyses of the organic internodes produced typical marine values of -16.9+/-0.1‰ (n=17), δ 15N values were unusually high, 13.8+/-0.4‰ . Because the internode geochemistry records the organic chemistry of sinking particulate matter ingested by the coral, the enriched δ 15N data reflect the chemistry of local upwelled NO3 that was strongly influenced by subsurface denitrification. AMS analyses of the center and outer edge of the skeleton (branch diameter = 2.2 cm) and adjacent organic internodes (growth proceeds from center outwards) yield 14C ages of 2065 and 2000+/-35 years for the calcite (Δ 14C = -226.4 and -220.3‰ ) and 785 and 765+/-35 years for the organic node (Δ 14C = -93.1 and -90.7‰ ) respectively. The calcite AMS ages record the 14C reservoir age of upper N. Pacific thermocline waters whereas the organic data record the surface ocean

  12. Fluid geochemistry of the Mondragone hydrothermal systems (southern Italy): water and gas compositions vs. geostructural setting

    NASA Astrophysics Data System (ADS)

    Cuoco, Emilio; Minissale, Angelo; Di Leo, Antonella "Magda"; Tamburrino, Stella; Iorio, Marina; Tedesco, Dario

    2017-02-01

    The geochemistry of natural thermal fluids discharging in the Mondragone Plain has been investigated. Thermal spring emergences are located along the Tyrrhenian coast in two different areas: near Padule-S. Rocco (41°7.5'N 13°53.4'E) at the foot of Mt. Petrino, and near Levagnole (41°8.5'N 13°51.3'E) at the foot of Mt. Pizzuto. The water isotopic composition of both thermal discharges is lighter than the one of local shallow groundwater (δ18O ≅ -6.3‰ SMOW vs. ≅ -5.9‰; δD ≅ -40‰ SMOW vs. ≅ -36‰, respectively) as a consequence of inland higher altitude of recharge by rainfall, suggesting that thermal water undergoes a deep and long flow-path before emerging along the coast. The chemical composition of the highest temperature samples of two areas points that fluids in the hydrothermal reservoir(s) interact with similar lithologies, since they are both hosted in the lower sedimentary carbonate formations of the Campanian-Latial Apennine succession. However, the two spring systems are different in terms of temperature and salinity (Levagnole: ≅50 °C and 8.9 g/L vs. Padule: ≅32 °C and 7.4 g/L, respectively). The higher salinity of Levagnole springs is due to a longer interaction with evaporite material embedded in Miocene sedimentary formations and to the eventual mixing, during rising, with fresh seawater close to the seashore. The chemical and isotopic composition of the free gases associated with the springs, again suggests a different source of the two hydrothermal systems. Comparing the 3He/4He measured ratios with other gas emissions located NE and SE of Mt. Massico-Roccamonfina alignment, it is evident that the Levagnole thermal springs are related to the northern Latial mantle wedge where the 3He/4He is about 0.5 R/Ra, whereas the Padule-S. Rocco springs, although being only 3.5 km south of Levagnole, are related to the Campanian mantle wedge where R/Ra is always ≥2.0. Such a difference in 3He/4He ratio in a very short distance

  13. Sulfur geochemistry of hydrothermal waters in Yellowstone National Park: IV Acid-sulfate waters

    USGS Publications Warehouse

    Kirk, Nordstrom D.; Blaine, McCleskey R.; Ball, J.W.

    2009-01-01

    Many waters sampled in Yellowstone National Park, both high-temperature (30-94 ??C) and low-temperature (0-30 ??C), are acid-sulfate type with pH values of 1-5. Sulfuric acid is the dominant component, especially as pH values decrease below 3, and it forms from the oxidation of elemental S whose origin is H2S in hot gases derived from boiling of hydrothermal waters at depth. Four determinations of pH were obtained: (1) field pH at field temperature, (2) laboratory pH at laboratory temperature, (3) pH based on acidity titration, and (4) pH based on charge imbalance (at both laboratory and field temperatures). Laboratory pH, charge imbalance pH (at laboratory temperature), and acidity pH were in close agreement for pH ??10%, a selection process was used to compare acidity, laboratory, and charge balance pH to arrive at the best estimate. Differences between laboratory and field pH can be explained based on Fe oxidation, H2S or S2O3 oxidation, CO2 degassing, and the temperature-dependence of pK2 for H2SO4. Charge imbalances are shown to be dependent on a speciation model for pH values 350 mg/L Cl) decrease as the Cl- concentration increases from boiling which appears inconsistent with the hypothesis of H2S oxidation as a source of hydrothermal SO4. This trend is consistent with the alternate hypothesis of anhydrite solubility equilibrium. Acid-sulfate water analyses are occasionally high in As, Hg, and NH3 concentrations but in contrast to acid mine waters they are low to below detection in Cu, Zn, Cd, and Pb concentrations. Even concentrations of SO4, Fe, and Al are much lower in thermal waters than acid mine waters of the same pH. This difference in water chemistry may explain why certain species of fly larvae live comfortably in Yellowstone's acid waters but have not been observed in acid rock drainage of the same pH.

  14. Dynamics of protein hydration water.

    PubMed

    Wolf, M; Emmert, S; Gulich, R; Lunkenheimer, P; Loidl, A

    2015-09-01

    We present the frequency- and temperature-dependent dielectric properties of lysozyme solutions in a broad concentration regime, measured at subzero temperatures, and compare the results with measurements above the freezing point of water and on hydrated lysozyme powder. Our experiments allow examining the dynamics of unfreezable hydration water in a broad temperature range. The obtained results prove the bimodality of the hydration shell dynamics. In addition, we find indications of a fragile-to-strong transition of hydration water.

  15. Application of Hydrogen Isotope Geochemistry to Volcanology: Recent Perspective on Eruption Dynamics

    SciTech Connect

    Nakamura, M.; Kasai, Y.; Sato, N.; Yoshimura, S.

    2008-02-25

    Degassing of magma is central to understand the dynamics of volcanic eruption. Hydrogen isotopic composition of volcanic rocks reflects degassing processes. The natural obsidian samples in some eruptions typically show a gently and then rapidly decreasing {delta}D trends with decreasing water content; this led to the two-stage degassing model, with closed-system volatile exsolution (batch fractionation of hydrogen isotope) during the explosive phase followed by open-system degassing (Rayleigh fractionation) to produce the low {delta}D value of the dome and flow lavas. However, the relationship between pattern of degassing (and fractionation) and mode of eruption is controversial. Based on the CO{sub 2}/H{sub 2}O ratio of the obsidians, Rust et al. suggested that the analyzed samples with relatively constant {delta}D value and high water content were buffered (re-equilibrated) with vapor of relatively constant isotopic composition, assuming that silicic magma along conduit wall is fragmented and highly permeable. However, the timing and mechanism of the shift to open system degassing (Rayleigh fractionation) has not been clarified. To further constrain the eruption dynamics, experimental study on the hydrogen isotope fractionation during degassing would be helpful, although common noble metals used as sample capsules, including Au, are permeable to hydrogen at magmatic temperature, and even to water molecule in the prolonged run, probably due to the change of grain boundary properties such as thermal grooving.

  16. Maps showing water geochemistry of the Buffalo Peaks Wilderness Study Area, Lake, Park, and Chaffee Counties, Colorado

    USGS Publications Warehouse

    Nowlan, G.A.; Ficklin, Walter H.; Dover, Robert A.

    1985-01-01

    This report presents results of geochemical studies carried out in June and July of 1982 in the Buffalo Peaks Wilderness Study Area, Colo. (see index map). Samples of water were collected from 84 streams and 18 springs draining the study area. Tabulations of the analyses and a sample locality map are in Ficklin and others (1984). The geochemistry of stream sediments and panned concentrates of the study area is in Nowlan and Gerstel (1985). The geology of the study area and vicinity is in Hedlund (1985). The mineral resource potential of the study area is described in Hedlund and others (1983). This report (1) assists in the assessment of the mineral resource potential of the Buffalo Peaks Wilderness Study Area; and (2) compares analyses of water samples with analyses of stream-sediment and panned-concentrate samples (Nowlan and Gerstel, 1985).

  17. Tidally driven water column hydro-geochemistry in a remediating acidic wetland

    NASA Astrophysics Data System (ADS)

    Johnston, Scott G.; Keene, Annabelle F.; Bush, Richard T.; Sullivan, Leigh A.; Wong, Vanessa N. L.

    2011-10-01

    SummaryManaged tidal inundation is a newly evolved technique for remediating coastal acid sulphate soil (CASS) wetlands. However, there remains considerable uncertainty regarding the hydro-geochemical pathways and spatiotemporal dynamics of residual H + and metal(loid) mobilisation into the tidal fringe surface waters of these uniquely iron-rich landscapes. Here, we examine the hydrology and water column chemistry across the intertidal slope of a remediating CASS wetland during several tide cycles. There was extreme spatial and temporal dynamism in water column chemistry, with pH fluctuating by ˜3 units (˜3.5-6.5) during a single tide cycle. Acute acidity was spatially confined to the upper intertidal slope, reflecting surface sediment properties, and tidal overtopping is an important pathway for mobilisation of residual H + and Al 3+ to the water column. Marine derived HCO3- was depleted from surface waters migrating across the intertidal slope and a strong gradient in HCO3- was observed from the tidal fringe to the adjacent tributary channel and nearby estuary. Tidal forcing generated oscillating hydraulic gradients in the shallow fringing aquifer, favouring ebb-tide seepage and driving rapid, heterogeneous advection of groundwater on the lower intertidal slope via surface connected macropores. A combination of diffusive and advective flux across the sediment-water interface led to persistent, elevated surface water Fe 2+ (˜10-1000 μM). The geochemical processes associated with Fe 2+ mobilisation displayed distinct spatial zonation, with low pH, proton-promoted desorption occurring on the upper intertidal slope, whilst circum-neutral pH, Fe(III)-reducing processes dominated the lower intertidal slope. Arsenic was also mobilised into surface waters on the lower intertidal slope under moderate pH (˜6.0) conditions and was strongly positively correlated with Fe 2+. Saturation index values for aragonite were substantially depressed (-1 to -5) and significantly

  18. Distribution and geochemistry of contaminated subsurface waters in fissured volcanogenic bed rocks of the Lake Karachai Area, Chelyabinsk, Southern Urals

    SciTech Connect

    Solodov, I.N.; Belichkin, V.I.; Zotov, A.V.; Kochkin, B.T.; Drozhko, E.G.; Glagolev, A.V.; Skokov, A.N.

    1994-06-01

    The present investigation is devoted to the study of the distribution and geochemistry of contaminated subsurface waters, beneath the site of temporary storage of liquid radioactive waste known as Lake Karachai. For this purpose a method of hydrogeochemical logging (HGCL) together with standard hydrogeochemical and geophysical methods of uncased hole logging were used. The distribution of sodium nitrate brine plumes in the subsurface was determined by the physical and physico-chemical properties of these brines and by the petrochemical composition of enclosing rocks and the structural setting of the flow paths. The latter is represented by fractures and large faults in the bedrock of volcanogenic and volcanogenic-sedimentary rocks of intermediate-to-basic composition. The volcanogenic rocks are overlain in some places by a thin cover of unconsolidated sediments, i.e., by loams and relatively impermeable silts. Contaminated waters flow-in accordance with the eluvium bottom relief towards local areas of natural (Mishelyak and Techa rivers) and artificial (Novogomenskii water intake) discharge of subsurface waters. The large Mishelyak fault, southwest of Lake Karachai and under fluvial sediments of the Mishelyak, is assumed to significantly influence the flow pattern of contaminated waters, diverting them from an intake of drinking water.

  19. Impact of Phosphogypsum waste on the Geochemistry of the coastal water of Ghannouche -Gabes (SE of Tunisia).

    NASA Astrophysics Data System (ADS)

    Ben Amor, R.; Fathallah, S.; Gueddari, M.

    2009-04-01

    Impact of Phosphogypsum waste on the Geochemistry of the coastal water of Ghannouche -Gabes (SE of Tunisia). R. Ben Amor, S. Fathallah, M. Gueddari (R.U. of Geochemistry and of Environmental Geology, Faculty of Sciences of Tunis, Department of Geology, 2092 Manar I) Corresponding author: R. Ben Amor; E-mail:magba_rim@yahoo.fr The littoral Ghannouche - Gabes (SE of Tunisia), has been known since the 1970's, an important industrialization especially after the installation of the chemical complex for the treatment of phosphates. These industries are at the origin of various waste materials, the most significant one is phosphogypsum (PG) which is released into the sea. The aim of this paper is to identify and to analyze the different entropic and natural factors, which govern the chemical composition in major elements, dissolved oxygen, pH and temperature of Ghannouche -Gabes coastal water, while studying, in particular, the impact of PG waste on the spatial distribution of these parameters. The result of the chemical analyses of the samples taken in June 2003, show that Na, K and Cl are conserved in solution and they evolve with constant Na/Cl and K/Cl ratio. The values of these ratios are similar to sea water average. The concentration of the other elements are controlled, first, by processes of precipitation or dissolution of the carbonated (Ca, Mg and HCO3) or sulphated (Ca and SO4) minerals, and second, by dilution or evaporation phenomena and by the phosphogypsum waste. The spatial distribution of these elements, of the pH, the dissolved oxygen and the temperature and the result of the saturation index with respect to calcite, gypsum and fluorite, by using of the PhreeqC program, show that the zone, located at north of the study area, between the commercial and the fishing port, is highly influenced by the PG waste. In this area, where the PG is released and which is relatively sheltered by the dams of the commercial and fishing port, waters are characterised by

  20. Seasonal hyporheic dynamics control coupled microbiology and geochemistry in Colorado River sediments

    NASA Astrophysics Data System (ADS)

    Danczak, Robert E.; Sawyer, Audrey H.; Williams, Kenneth H.; Stegen, James C.; Hobson, Chad; Wilkins, Michael J.

    2016-12-01

    Riverbed microbial communities play an oversized role in many watershed ecosystem functions, including the processing of organic carbon, cycling of nitrogen, and alterations to metal mobility. The structure and activity of microbial assemblages depend in part on geochemical conditions set by river-groundwater exchange or hyporheic exchange. To assess how seasonal changes in river-groundwater mixing affect these populations in a snowmelt-dominated fluvial system, vertical sediment and pore water profiles were sampled at three time points at one location in the hyporheic zone of the Colorado River and analyzed by using geochemical measurements, 16S rRNA gene sequencing, and ecological modeling. Oxic river water penetrated deepest into the subsurface during peak river discharge, while under base flow conditions, anoxic groundwater dominated shallower depths. Over a 70 cm thick interval, riverbed sediments were therefore exposed to seasonally fluctuating redox conditions and hosted microbial populations statistically different from those at both shallower and deeper locations. Additionally, microbial populations within this zone were shown to be the most dynamic across sampling time points, underlining the critical role that hyporheic mixing plays in constraining microbial abundances. Given such mixing effects, we anticipate that future changes in river discharge in mountainous, semiarid western U.S. watersheds may affect microbial community structure and function in riverbed environments, with potential implications for biogeochemical processes in riparian regions.

  1. Applicability of Electrical and Electroanalytical Techniques to Detect Water and Characterize the Geochemistry of Undisturbed Planetary Soils

    NASA Technical Reports Server (NTRS)

    Seshadri, S.; Buehler, M. G.; Anderson, R. C.; Kuhlman, G. M.; Keymeulen, D.; Cheung, I. W.; Schaap, M. G.

    2005-01-01

    The search for life is a primary goal of NASA s planetary exploration program. The search is, of necessity, tiered in both the detection approach (looking for evidence of microbial fossils or the presence of water in the geological history of a planetary body and/or looking for evidence of water, energy sources, precursors to life, signatures of life and/or life itself in the present day planetary environment) and in the survey method (scale, range, specificity) employed. Terrestrial investigations suggests that life as we know it requires water. Thus, the search for extant microbial life and habitats requires identifying water-bearing soils. Determining Reduction-Oxidation (REDOX) couples present in water, once it is found, provides information on soil geochemistry and identifies potential chemical energy sources for life. Mars offers a near-term target for conducting this search. The identification of gully formation [1], layered deposits [2] and elemental ratios of bromine and chlorine [3] present indirect evidence that water was abundant locally in the Martian past. Additionally, Viking images of polar ice and frost formation on the surface of Mars demonstrate that water can exist in at least some near-surface regions of present-day Mars. Atmospheric pressure data further suggest that liquid water may be stable for short periods of time in the mid-latitudes of the Martian surface. [4] Measurements of the global distribution of hydrogen in the Martian regolith offer tantalizing indirect evidence that water may at least exist in near-surface soils. [5] Evidently, any water to be found is likely to exist as soil mixtures at levels ranging between approx.0.5% and approx.5 %.

  2. Occurrence and geochemistry of radium in water from principal drinking-water aquifer systems of the United States

    USGS Publications Warehouse

    Szabo, Z.; dePaul, V.T.; Fischer, J.M.; Kraemer, T.F.; Jacobsen, E.

    2012-01-01

    competing ions Ca, Mg, Ba and Sr, and occasionally of dissolved solids, K, SO 4 and HCO 3. The other water type to frequently contain elevated concentrations of the Ra radioisotopes was acidic (low pH), and had in places, high concentrations of NO 3 and other acid anions, and on occasion, of the competing divalent cations, Mn and Al. One or the other of these broad water types was commonly present in each of the PAs in which elevated concentrations of combined Ra occurred. Concentrations of 226Ra or 228Ra or combined Ra correlated significantly with those of the above listed water-quality constituents (on the basis of the non-parametric Spearman correlation technique) and loaded on principal components describing the above water types from the entire data set and for samples from the PAs with the highest combined Ra concentrations.Concentrations of 224Ra and 226Ra were significantly correlated to those of 228Ra (Spearman's rank correlation coefficient, +0.236 and +0.326, respectively). Activity ratios of 224Ra/ 228Ra in the water samples were mostly near 1 when concentrations of both isotopes were greater than or equal to 0.037Bq/L (1pCi/L), the level above which analytical results were most reliable. Co-occurrence among these highest concentrations of the Ra radionuclides was most likely in those PAs where chemical conditions are most conducive to Ra mobility (e.g. acidic North Atlantic Coastal Plain). The concentrations of 224Ra were occasionally greater than 0.037Bq/L and the ratios of 224Ra/ 228Ra were generally highest in the PAs composed of alluvial sands and Cretaceous/Tertiary sandstones from the western USA, likely because concentrations of 224Ra are enhanced in solution relative to those of 228Ra by alpha recoil from the aquifer matrix. Rapid adsorption of the two Ra isotopes (controlled by the alkaline and oxic aquifer geochemistry) combined with preferential faster recoil of 224Ra generates a 224Ra/ 228Ra ratio much greater than

  3. Water quality and geochemistry of the mountain fynbos ecosystem in the vicinity of Citrusdal, South Africa

    NASA Astrophysics Data System (ADS)

    Compton, J.; Soderberg, K.

    2003-12-01

    % clay). TMG ground waters studied have low ionic strength (0.2-1 mM) and electrical conductivity (2.5-12 mS/m). The low pH helps to keep trace metals in solution, particularly iron and manganese, which tend to precipitate in the presence of oxygen near the surface. The presence of metals in solution contributes to the ability of the ground waters studied to buffer the addition of hydroxyl ion (Base Neutralizing Capacity) in the acidity titration. The Acid Neutralizing Capacity, or the ability to buffer acid, increases downstream along the main valley as agricultural runoff increases. The size of the major elemental reservoirs and the fluxes among them are approximated from chemical analyses of the bedrock, soil, vegetation, and waters of the ecosystem. These estimates are used in a simplified box model to discuss the element dynamics within the fynbos ecosystem of a headwater catchment underlain by the Peninsula Formation. The data support the idea that soil and vegetation act as a filter, selectively retaining elements from the water, particularly K and Mn, but also including Ca, Mg, Fe, and Al. The properties of the ecosystem that allow for this retention of elements could be disrupted by human activities.

  4. Water geochemistry and hydrogeology of the shallow aquifer at Roosevelt Hot Springs, southern Utah: A hot dry rock prospect

    SciTech Connect

    Vuataz, F.D.; Goff, F.

    1987-12-01

    On the western edge of the geothermal field, three deep holes have been drilled that are very hot but mostly dry. Two of them (Phillips 9-1 and Acord 1-26 wells) have been studied by Los Alamos National Laboratory for the Hot Dry Rock (HDR) resources evaluation program. A review of data and recommendations have been formulated to evaluate the HDR geothermal potential at Roosevelt. The present report is directed toward the study of the shallow aquifer of the Milford Valley to determine if the local groundwater would be suitable for use as make-up water in an HDR system. This investigation is the result of a cooperative agreement between Los Alamos and Phillips Petroleum Co., formerly the main operator of the Roosevelt Hot Springs Unit. The presence of these hot dry wells and the similar setting of the Roosevelt area to the prototype HDR site at Fenton Hill, New Mexico, make Roosevelt a very good candidate site for creation of another HDR geothermal system. This investigation has two main objectives: to assess the water geochemistry of the valley aquifer, to determine possible problems in future make-up water use, such as scaling or corrosion in the wells and surface piping, and to assess the hydrogeology of the shallow groundwaters above the HDR zone, to characterize the physical properties of the aquifer. These two objectives are linked by the fact that the valley aquifer is naturally contaminated by geothermal fluids leaking out of the hydrothermal reservoir. In an arid region where good-quality fresh water is needed for public water supply and irrigation, nonpotable waters would be ideal for an industrial use such as injection into an HDR energy extraction system. 50 refs., 10 figs., 10 tabs.

  5. Hydrology and geochemistry of thermal ground water in southwestern Idaho and north-central Nevada

    SciTech Connect

    Young, H.W.; Lewis, R.E.

    1980-12-01

    The study area occupies about 14,500 square miles in southwestern Idaho and north-central Nevada. Thermal ground water occurs under artesian conditions, in discontinuous or compartmented zones, in igneous or sedimentary rocks of Tertiary age. Ground-water movement is generally northward. Temperatures of the ground water range from about 30/sup 0/ to more than 80/sup 0/C. Chemical analyses of water from 12 wells and 9 springs indicate that nonthermal waters are a calcium bicarbonate type; thermal waters are a sodium bicarbonate type. Chemical geothermometers indicate probable maximum reservoir temperatures are near 100/sup 0/C. Concentration of tritium in the thermal water water is near zero.

  6. Combine the soil water assessment tool (SWAT) with sediment geochemistry to evaluate diffuse heavy metal loadings at watershed scale.

    PubMed

    Jiao, Wei; Ouyang, Wei; Hao, Fanghua; Huang, Haobo; Shan, Yushu; Geng, Xiaojun

    2014-09-15

    Assessing the diffuse pollutant loadings at watershed scale has become increasingly important when formulating effective watershed water management strategies, but the process was seldom achieved for heavy metals. In this study, the overall temporal-spatial variability of particulate Pb, Cu, Cr and Ni losses within an agricultural watershed was quantitatively evaluated by combining SWAT with sediment geochemistry. Results showed that the watershed particulate heavy metal loadings displayed strong variability in the simulation period 1981-2010, with an obvious increasing trend in recent years. The simulated annual average loadings were 20.21 g/ha, 21.75 g/ha, 47.35 g/ha and 21.27 g/ha for Pb, Cu, Cr and Ni, respectively. By comparison, these annual average values generally matched the estimated particulate heavy metal loadings at field scale. With spatial interpolation of field loadings, it was found that the diffuse heavy metal pollution mainly came from the sub-basins dominated with cultivated lands, accounting for over 70% of total watershed loadings. The watershed distribution of particulate heavy metal losses was very similar to that of soil loss but contrary to that of heavy metal concentrations in soil, highlighting the important role of sediment yield in controlling the diffuse heavy metal loadings.

  7. The Dynamics of Supercooled Water

    NASA Astrophysics Data System (ADS)

    Mallamace, Francesco

    2011-03-01

    We present an overview of recent experiments performed on transport properties of water in the deeply supercooled region, a temperature region of fundamental importance in the science of water. We report data of nuclear magnetic resonance, quasi-elastic neutron scattering, Fourier-transform infrared spectroscopy, and Raman spectroscopy, studying water confined in nano-meter-scale environments (nano-tubes and the protein hydration water) and in bulk solutions. When contained within small pores, water does not crystallise, and can be supercooled well below its homogeneous nucleation temperature Th. On this basis it is possible to carry out a careful analysis of the well known thermodynamical anomalies of water. Studying the temperature and pressure dependencies of water dynamics, we show that the liquid-liquid phase transition (LLPT) hypothesis represents a reliable model for describing liquid water. In this model, water in the liquid state is a mixture of two different local structures, characterised by different densities, namely the low density liquid (LDL) and the high-density liquid (HDL). The LLPT line should terminate at a special transition point: a low-T liquid-liquid critical point. In particular We discuss the following experimental findings on liquid water: (i) a crossover from non-Arrhenius behaviour at high T to Arrhenius behaviour at low T in transport parameters; (ii) a breakdown of the Stokes-Einstein relation; (iii) the existence of a Widom line, which is the locus of points corresponding to maximum correlation length in the p-T phase diagram and which ends in the liquid-liquid critical point; (iv) the direct observation of the LDL phase; (v) a minimum in the density at approximately 70K below the temperature of the density maximum. In our opinion these results represent the experimental proofs of the validity of the LLPT hypothesis.

  8. Sediment Microbial Community Dynamics and Geochemistry During Oxic and Hypoxic Periods in the Gulf of Mexico

    EPA Science Inventory

    Seasonal hypoxia in the benthic waters of the Louisiana Coastal Shelf contributes to the Gulf of Mexico "dead zone" phenomena. Limited information is available on sedimentary biogeochemical interactions during periods of hypoxia.

  9. Impact of glacial/interglacial changes in water column geochemistry on the diagenetic cycling of barium in Black Sea sediments

    NASA Astrophysics Data System (ADS)

    Kasten, S.; Henkel, S.; Mogollón, J. M.; Nöthen, K.; Franke, C.; Bogus, K.; Robin, E.; Bahr, A.; Blumenberg, M.; Pape, T.; Seifert, R.; Marz, C.; De Lange, G. J.

    2012-12-01

    Changes in depositional conditions and redox environment over time affect biogeochemical processes in the seabed and in this way control the variable and selective preservation, alteration and formation of various sediment constituents and attributes - including particulate organic matter, mineral assemblages and magnetic properties. As many of these solid-phase compounds are used as paleo-environmental tracers or stratigraphic tools an assessment of diagenetic influences on the sedimentary record is crucial for accurate environmental reconstructions. We present an integrated approach of pore-water and solid-phase geochemistry as well as transport reaction modeling for sediments of the Black Sea to assess the biogeochemical history of these deposits with particular emphasis on post-depositional redistribution of barium as a consequence of changes in water column geochemistry and redox (Henkel et al., 2012). High-resolution sedimentary records of major and minor elements (Al, Ba, Ca, Sr, Ti), total organic carbon (TOC), and profiles of pore-water constituents (SO42-, CH4, Ca2+, Ba2+, Mg2+, alkalinity) were obtained for two gravity cores (core 755, 501 m water depth and core 214, 1686 m water depth) from the northwestern Black Sea. The records were examined in order to gain insight into the cycling of Ba in anoxic marine sediments characterized by a shallow sulfate-methane transition (SMT) as well as the applicability of barite as a primary productivity proxy in such a setting. The Ba records are strongly overprinted by diagenetic barite (BaSO4) remobilization and precipitation; authigenic Ba enrichments were found at both sites at and slightly above the current SMT. Transport reaction modeling was applied to simulate the migration of the SMT during the changing geochemical conditions after the Holocene seawater intrusion into the Black Sea. Based on this, sediment intervals affected by diagenetic Ba redistribution were identified. Results reveal that the intense

  10. Geochemistry of waters in the Valley of Ten Thousand Smokes region, Alaska

    USGS Publications Warehouse

    Keith, T.E.C.; Thompson, J.M.; Hutchinson, R.A.; White, L.D.

    1992-01-01

    Meteoric waters from cold springs and streams outside of the 1912 eruptive deposits filling the Valley of Ten Thousand Smokes (VTTS) and in the upper parts of the two major rivers draining the 1912 deposits have similar chemical trends. Thermal springs issue in the mid-valley area along a 300-m lateral section of ash-flow tuff, and range in temperature from 21 to 29.8??C in early summer and from 15 to 17??C in mid-summer. Concentrations of major and minor chemical constituents in the thermal waters are nearly identical regardless of temperature. Waters in the downvalley parts of the rivers draining the 1912 deposits are mainly mixtures of cold meteoric waters and thermal waters of which the mid-valley thermal spring waters are representative. The weathering reactions of cold waters with the 1912 deposits appear to have stabilized and add only subordinate amounts of chemical constituents to the rivers relative to those contributed by the thermal waters. Isotopic data indicate that the mid-valley thermal spring waters are meteoric, but data is inconclusive regarding the heat source. The thermal waters could be either from a shallow part of a hydrothermal system beneath the 1912 vent region or from an incompletely cooled, welded tuff lens deep in the 1912 ash-flow sheet of the upper River Lethe area. Bicarbonate-sulfate waters resulting from interaction of near-surface waters and the cooling 1953-1968 southwest Trident plug issue from thermal springs south of Katmai Pass and near Mageik Creek, although the Mageik Creek spring waters are from a well-established, more deeply circulating hydrothermal system. Katmai caldera lake waters are a result of acid gases from vigorous drowned fumaroles dissolving in lake waters composed of snowmelt and precipitation. ?? 1992.

  11. Hydrology and geochemistry of thermal ground water in southwestern Idaho and north-central Nevada

    SciTech Connect

    Young, H.W.; Lewis, R.E.

    1982-01-01

    Chemical analyses of water from 12 wells and 9 springs indicate that nonthermal waters are a calcium bicarbonate type; thermal waters are a sodium carbonate or bicarbonate type. Chemical geothermometers indicate probable maximum reservoir temperatures are near 100/sup 0/ Celsius. Concentration of tritium in the thermal water is near zero. Depletion of stable isotopes in the hot waters relative to present-day meteoric waters indicates recharge to the system probably occurred when the climate averaged 3/sup 0/ to 5/sup 0/ Celsius colder than at present. Temperatures about 3.5/sup 0/ Celsius colder than at present occurred during periods of recorded Holocene glacial advances and indicate a residence time of water in the system of at least several thousand years. Residence time calculated on the basis of reservoir volume and thermal-water discharge is 3400 to 6800 years for an effective reservoir porosity of 0.05 and 0.10, respectively. Preliminary analyses of carbon-14 determinations indicate an age of the hot waters of about 18,000 to 25,000 years. The proposed conceptual model for the area is one of an old system, where water has circulated for thousands, even tens of thousands, of years. Within constraints imposed by the model described, reservoir thermal energy for the geothermal system in southwestern Idaho and north-central Nevada is about 130 x 10/sup 18/ calories.

  12. Geochemistry and origins of mineralized waters in the Floridan aquifer system, northeastern Florida

    USGS Publications Warehouse

    Phelps, G.G.

    2001-01-01

    Increases in chloride concentration have been observed in water from numerous wells tapping the Floridan aquifer system in northeastern Florida. Although most increases have been in the eastern part of Duval County, Florida, no spatial pattern in elevated chloride concentrations is discernible. Possible sources of the mineralized water include modern seawater intrusion; unflushed Miocene-to-Pleistocene-age seawater or connate water in aquifer sediments; or mineralized water from deeper zones of the aquifer system or from formations beneath the Floridan aquifer system. The purpose of this study was to document the chemical and isotopic characteristics of water samples from various aquifer zones, and from geochemical and hydrogeologic data, to infer the source of the increased mineralization. Water samples were collected from 53 wells in northeastern Florida during 1997-1999. Wells tapped various zones of the aquifer including: the Fernandina permeable zone (FPZ), the upper zone of the Lower Floridan aquifer (UZLF), the Upper Floridan aquifer (UFA), and both the UFA and the UZLF. Water samples were analyzed for major ions and trace constituents and for isotopes of carbon, oxygen, hydrogen, sulfur, strontium, chlorine, and boron. Samples of rock from the aquifer were analyzed for isotopes of oxygen, carbon, and strontium. In general, water from various aquifer zones cannot be differentiated based on chemistry, except for water from FPZ wells. Major-ion concentrations vary as much within the upper zone of the Lower Floridan aquifer and the Upper Floridan aquifer as between these two zones. Simple models of mixing between fresh ground water and either modern seawater or water from the FPZ as a mineralized end member show that many water samples from the UZLF aquifer and the UFA are enriched in bicarbonate, calcium, magnesium, sulfate, fluoride, and silica and are depleted in sodium and potassium (as compared to concentrations predicted by simple mixing). Chemical mass

  13. Effects of slow recovery rates on water column geochemistry in aquitard wells

    USGS Publications Warehouse

    Schilling, K.E.

    2011-01-01

    Monitoring wells are often installed in aquitards to verify effectiveness for preventing migration of surface contaminants to underlying aquifers. However, water sampling of aquitard wells presents a challenge due to the slow recovery times for water recharging the wells, which can take as long as weeks, months or years to recharge depending on the sample volume needed. In this study, downhole profiling and sampling of aquitard wells was used to assess geochemical changes that occur in aquitard wells during water level recovery. Wells were sampled on three occasions spanning 11years, 1year and 1week after they were purged and casing water showed substantial water chemistry variations. Temperature decreased with depth, whereas pH and specific conductance increased with depth in the water column after 11years of water level recovery. Less stable parameters such as dissolved O2 (DO) and Eh showed strong zonation in the well column, with DO stratification occurring as the groundwater slowly entered the well. Oxidation of reduced till groundwater along with degassing of CO2 from till pore water affects mineral solubility and dissolved solid concentrations. Recommendations for sampling slowly recovering aquitard wells include identifying the zone of DO and Eh stratification in the well column and collecting water samples from below the boundary to better measure unstable geochemical parameters. ?? 2011 Elsevier Ltd.

  14. Isotope Geochemistry and Chronology of Offshore Ground Water Beneath Indian River Bay, Delaware

    USGS Publications Warehouse

    Böhlke, John Karl; Krantz, David E.

    2003-01-01

    Results of geophysical surveys in Indian River Bay, Delaware, indicate a complex pattern of salinity variation in subestuarine ground water. Fresh ground-water plumes up to about 20 meters thick extending hundreds of meters offshore are interspersed with saline ground water, with varying degrees of mixing along the salinity boundaries. It is possible that these features represent pathways for nutrient transport and interaction with estuarine surface water, but the geophysical data do not indicate rates of movement or nutrient sources and reactions. In the current study, samples of subestuarine ground water from temporary wells with short screens placed 3 to 22 meters below the sediment-water interface were analyzed chemically and isotopically to determine the origins, ages, transport pathways, and nutrient contents of the fresh and saline components. Apparent ground-water ages determined from chlorofluorocarbons (CFCs), sulfur hexafluoride (SF6), tritium (3H), and helium isotopes (3He and 4He) commonly were discordant, but nevertheless indicate that both fresh and saline ground waters ranged from a few years to at least 50 years in age. Tritium-helium (3H-3He) ages, tentatively judged to be most reliable, indicate that stratified offshore freshwater plumes originating in distant recharge areas on land were bounded by relatively young saline water that was recharged locally from the overlying estuary. Undenitrified and partially denitrified nitrate of agricultural or mixed origin was transported laterally beneath the estuary in oxic and suboxic fresh ground water. Ammonium produced by anaerobic degradation of organic matter in estuarine sediments was transported downward in suboxic saline ground water around the freshwater plumes. Many of the chemical and isotopic characteristics of the subestuarine ground waters are consistent with conservative mixing of the fresh (terrestrial) and saline (estuarine) endmember water types. These data indicate that freshwater plumes

  15. Ground-water quality and geochemistry in Carson and Eagle Valleys, western Nevada and eastern California

    USGS Publications Warehouse

    Welch, Alan H.

    1994-01-01

    Aquifers in Carson and Eagle Valleys are an important source of water for human consumption and agriculture. Concentrations of major constituents in water from the principal aquifers on the west sides of Carson and Eagle Valleys appear to be a result of natural geochemical reactions with minerals derived primarily from plutonic rocks. In general, water from principal aquifers is acceptable for drinking when compared with current (1993) Nevada State drinking-water maximum contaminant level standards. Water was collected and analyzed for all inorganic constituents for which primary or secondary drinking-water standards have been established. About 3 percent of these sites had con- stituents that exceeded one or more primary or secondary drinking-water standards have been established. About 3 percent of these sites had con- stituents that exceeded one or more primary standards and water at about 10 percent of the sites had at least one constituent that surpassed a secondary standard. Arsenic exceeded the standard in water at less than 1 percent of the principal aquifer sites; nitrate surpassed its standard in water at 3 percent of 93 sites. Water from wells in the principal aquifer with high concentrations of nitrate was in areas where septic systems are used; these concentrations indicate that contamination may be entering the wells. Concentrations of naturally occurring radionuclides in water from the principal aquifers, exceed the proposed Federal standards for some constituents, but were not found t be above current (1993) State standards. The uranium concen- trations exceeded the proposed 20 micrograms per liter Federal standard at 10 percent of the sites. Of the sites analyzed for all of the inorganic constituents with primary standards plus uranium, 15 percent exceed one or more established standards. If the proposed 20 micrograms per liter standard for uranium is applied to the sampled sites, then 23 percent would exceed the standard for uranium or some other

  16. The occurrence and geochemistry of fluoride in some natural waters of Kenya

    NASA Astrophysics Data System (ADS)

    Gaciri, S. J.; Davies, T. C.

    1993-03-01

    In recent years the acquisition of considerable additional data on the hydrogeochemical behaviour of fluoride in natural waters of Kenya has been made possible by extensive surface-water and groundwater sampling campaigns as well as by improvements in analytical techniques. Ultimately, the principal source of fluoride relates to emissions from volcanic activity associated with the East African Rift System. Through various intermediate steps, but also directly, fluoride passes into the natural water system and components of the food chain. Ingestion by man is mainly through drinking water and other beverages. River waters in Kenya generally have a fluoride concentration lower than the recommended level (1.3 ppm) for potable water, thus promoting susceptibility to dental caries. Groundwaters and lake waters show considerably higher fluoride contents, resulting in the widespread incidence of fluorosis in areas where groundwater is the major source of drinking water, and lake fish is a regular component of the diet. This paper presents a synthesis of the data so far obtained on the sources and distribution of fluoride in the hydrological system of Kenya, examines the extent of fluorine toxicity and puts forward recommendations to combat or minimise the problem.

  17. Isotope geochemistry of thermal and nonthermal waters in the Valles caldera, Jemez Mountains, northern New Mexico

    SciTech Connect

    Vuataz, F.D.; Goff, F.

    1986-02-10

    Over 100 stable isotope and 45 tritium analyses from thermal and nonthermal waters of the Jemez Mountains region, New Mexico, have been used to define the hydrodynamics of the Valles caldera (Baca) geothermal system and related geothermal fluids of the region. Evaluation of 36 cold meteoric waters yields an equation for the Jemez Mountains meteoric water line of deltaD = 8delta/sup 18/O+12, while further evaluation of nine cold meteoric waters yields an equation relating recharge elevation to deuterium content of E(meters) = -44.9 (deltaD)-1154. Based on the deuterium content of five Baca well waters (223/sup 0/--294/sup 0/C), the average recharge elevation of the Valles geothermal system ranges from 2530 to 2890 m. This range of elevations falls between the elevations of the lowest point of the caldera floor (2400 m) and the summit of the resurgent dome inside the caldera (3430 m). Thus stable isotopes indicate that the caldera depression probably serves as a recharge basin for the deep geothermal system. Although cold spring waters of the Jemez Mountains region consist of meteoric water, tritium analyses show that most of them contain water between 20 and 75 years old.

  18. Arsenic in ground water of the United States: occurrence and geochemistry

    USGS Publications Warehouse

    Welch, Alan H.; Westjohn, D.B.; Helsel, Dennis R.; Wanty, Richard B.

    2000-01-01

    Concentrations of naturally occurring arsenic in ground water vary regionally due to a combination of climate and geology. Although slightly less than half of 30,000 arsenic analyses of ground water in the United States were 1 μg/L, about 10% exceeded 10 μg/L. At a broad regional scale, arsenic concentrations exceeding 10 μg/L appear to be more frequently observed in the western United States than in the eastern half. Arsenic concentrations in ground water of the Appalachian Highlands and the Atlantic Plain generally are very low ( 1 μg/L). Concentrations are somewhat greater in the Interior Plains and the Rocky Mountain System. Investigations of ground water in New England, Michigan, Minnesota, South Dakota, Oklahoma, and Wisconsin within the last decade suggest that arsenic concentrations exceeding 10 μg/L are more widespread and common than previously recognized.Arsenic release from iron oxide appears to be the most common cause of widespread arsenic concentrations exceeding 10 μg/L in ground water. This can occur in response to different geochemical conditions, including release of arsenic to ground water through reaction of iron oxide with either natural or anthropogenic (i.e., petroleum products) organic carbon. Iron oxide also can release arsenic to alkaline ground water, such as that found in some felsic volcanic rocks and alkaline aquifers of the western United States. Sulfide minerals are both a source and sink for arsenic. Geothermal water and high evaporation rates also are associated with arsenic concentrations 10g/L in ground and surface water, particularly in the west.Arsenic release from iron oxide appears to be the most common cause of widespread arsenic concentrations exceeding 10 µg/L a ground water. This can occur in response to different geochemical conditions, including release of arsenic to ground water through reaction of iron oxide with either natural or anthropogenic (i.e., petroleum products) organic carbon. Iron oxide also can

  19. Flow and geochemistry along shallow ground-water flowpaths in an agricultural area in southeastern Wisconsin

    USGS Publications Warehouse

    Saad, D.A.; Thorstenson, D.C.

    1998-01-01

    Ground water recharging at mid- and downgradient wells is oxic and contains dissolved nitrate, whereas the ground water discharging to the stream is anoxic and contains dissolved ammonium. Redox environments were defined at each well on the basis of relative concentrations of various dissolved redox-active species. Chemically permissible flowpaths inferred from the observed sequence of redox environments at well sites are consistent with flowpaths in the ground-water flow model. The transition from nitrate in recharging ground water to ammonium in ground water discharging to the stream suggests the possibility of nitrate reduction along the flowpath. None of the techniques employed in this study, however, were able to prove the occurrence of this reaction.

  20. Deep subsurface drip irrigation using coal-bed sodic water: part II. geochemistry

    USGS Publications Warehouse

    Bern, Carleton R.; Breit, George N.; Healy, Richard W.; Zupancic, John W.

    2013-01-01

    Waters with low salinity and high sodium adsorption ratios (SARs) present a challenge to irrigation because they degrade soil structure and infiltration capacity. In the Powder River Basin of Wyoming, such low salinity (electrical conductivity, EC 2.1 mS cm-1) and high-SAR (54) waters are co-produced with coal-bed methane and some are used for subsurface drip irrigation(SDI). The SDI system studied mixes sulfuric acid with irrigation water and applies water year-round via drip tubing buried 92 cm deep. After six years of irrigation, SAR values between 0 and 30 cm depth (0.5-1.2) are only slightly increased over non-irrigated soils (0.1-0.5). Only 8-15% of added Na has accumulated above the drip tubing. Sodicity has increased in soil surrounding the drip tubing, and geochemical simulations show that two pathways can generate sodic conditions. In soil between 45-cm depth and the drip tubing, Na from the irrigation water accumulates as evapotranspiration concentrates solutes. SAR values >12, measured by 1:1 water-soil extracts, are caused by concentration of solutes by factors up to 13. Low-EC (-1) is caused by rain and snowmelt flushing the soil and displacing ions in soil solution. Soil below the drip tubing experiences lower solute concentration factors (1-1.65) due to excess irrigation water and also contains relatively abundant native gypsum (2.4 ± 1.7 wt.%). Geochemical simulations show gypsum dissolution decreases soil-water SAR to 14 and decreasing EC in soil water to 3.2 mS cm-1. Increased sodicity in the subsurface, rather than the surface, indicates that deep SDI can be a viable means of irrigating with sodic waters.

  1. Water geochemistry of the Lucero Uplift, New Mexico: geothermal investigation of low-temperature mineralized fluids

    SciTech Connect

    Goff, F.; McCormick, T.; Gardner, J.N.; Trujillo, P.E.; Counce, D.; Vidale, R.; Charles, R.

    1983-04-01

    A detailed geochemical investigation of 27 waters of the Lucero uplift, central New Mexico, was performed to determine if the fluids originate from a high-temperature geothermal system along the Rio Grande rift. Two types of mineralized water issue from the Lucero region: a relatively saline (high-Cl, high-SO/sub 4/) type and a relatively dilute (low-Cl, high-SO/sub 4/) type. Emergence temperatures of both types range from 12 to 26/sup 0/C. Chemical data and thermodynamic and geothermometer calculations all indicate that both water types are in equilibrium with carbonate and evaporite minerals found in local Colorado Plateau rocks at surface temperatures or slightly higher. Stable isotope data do not indicate high-temperature rock-water interaction. Although evidence is seen for mixing between mineralized waters and dilute surface waters, no evidence for mixing of a deep hot fluid and surface waters is seen. Dilute mineral waters, which issue from a large area of Chinle Formation on the west side of the Lucero uplift, may be useful for low-temperature geothermal applications with appropriate design of equipment. Saline mineral waters, which leak from a zone of faulted and folded rocks along the Comanche fault zone, do not appear to have much, if any, geothermal potential due to their low-temperature, restricted distribution, and high concentration of dissolved solids. No evidence that saline mineral waters are associated with Quaternary faults of the Rio Grande rift or Quaternary basaltic volcanism within the immediate area is seen.

  2. The marine geochemistry of actinium-227: Evidence for its migration through sediment pore water

    SciTech Connect

    Nozaki, Yoshiyuki; Yamada, Masatoshi ); Nikaido, Hirofumi )

    1990-10-01

    {sup 227}Ac with a half life of 21.8 years has a potential utility as a tracer of deep water circulation and mixing studies on time scales less than 100 years. Here the authors present the first measurement of {sup 227}Ac profile in the pore water of Northwest Pacific deep-sea sediment and in the {approximately}10,000 m long water column of Izu-Ogasawara Trench. The results clearly show that {sup 227}Ac is supplied from the sediment to the overlying water through migration in the pore water. The model calculation indicates that the molecular diffusion alone through sediment porewater can support only a half of the standing crop of excess {sup 227}Ac in the water column and the enhanced supply of {sup 227}Ac by particle mixing is necessary to account for the remainder. Thus, bioturbation in the deep sea plays an important role in controlling the flux of some short-lived radionuclides such as {sup 227}Ac and {sup 228}Ra across the sediment-water interface.

  3. Radium isotope geochemistry of thermal waters, Yellowstone National Park, Wyoming, USA

    SciTech Connect

    Sturchio, N.C.; Bohlke, J.K.; Markun, F.J. )

    1993-03-01

    Radium isotope activities ([sup 226]Ra, [sup 228]Ra, and [sup 224]Ra), chemical compositions, and sulfur isotope ratios in sulfate were determined for water samples from thermal areas in Yellowstone National Park, Wyoming. Activities of [sup 226]Ra in these waters range from <0.2 to 37.9 dpm/kg. Activity ratios of [sup 228]Ra/[sup 226]Ra range from 0.26 to 14.2, and those of [sup 224]Ra/[sup 228]Ra range from 0.73 to 3.1. Radium concentrations are inversely correlated with aquifer equilibration temperatures (estimated from dissolved silica concentrations), while [Ra/Ba][sub aq] and [sup 228]Ra/[sup 226]Ra activity ratios depend upon U/Ba and Th/U ratios in aquifer rocks. Major controls on Ra concentration in Yellowstone thermal waters are inferred to be (1) barite saturation (at Norris Geyser Basin, Mammoth Hot Springs, and other northern areas) and (2) zeolite-water ion exchange (at Upper Geyser Basin). The data are consistent with a model in which (1) radium and barium are supplied to water by bulk dissolution of aquifer rock, and (2) chemical equilibration of water with rock is rapid relative to the 1602 year half-life of [sup 226]Ra. The [sup 228]Ra/[sup 226]Ra activity ratios of the waters may in some cases reflect surface enrichments of [sup 232]Th and/or may indicate that [alpha]-recoil input of [sup 228]Ra is rapid relative to water-rock chemical equilibration. Activity ratios of [sup 224]Ra/[sup 228]Ra indicate a nearly ubiquitous [sup 224]Ra excess that generally increases with decreasing pH. Near-surface ([le]100 m) thermal water flow velocities at Mammoth Hot Springs are estimated from [sup 224]Ra/[sup 228]Ra variation to be [ge]1 m h[sup [minus]1]. 73 refs., 4 figs., 4 tabs.

  4. Hydro geochemistry Study of Yamama formation water in southern Iraqi oil Fields, Migration,Diagensis

    NASA Astrophysics Data System (ADS)

    Ali, A. A.; SOC Team

    2013-05-01

    Yamama Formation (Lower Cretaceous) form one of the main oil reservoir in southern Iraq, the present study deals with the general physical and chemical characteristics of Yamama formation water in selected oil fields - southern Iraq. Via the collecting the available water analysis data in in selected 10 wells in southern Iraqi oil fields, Well Logs, as well as, the technical final well reports. The task of this study is to illustrate the chemical and physical variation among the study oil wells, and their relation with the depositional environment, the grading of temperature and pressure, the reason behind of over pressure phenomenon, besides the delineation of oil migration and water reservoir movement direction. The study confirms the occurrences of two types of formation water; the first one is the connate water, which is brine, hypersaline, and marine in nature reflects the possibility of hydrocarbon accumulations. And the second is mixing water reflects the mixing of original marine water with percolating meteoric water for various degree. Regarding the hydrochemical ratios, the direction of water movement and oil migration is from northeast toward west and south west starting from Messan oil Fields, moreover, the secondary migration of oil is in the same direction. The western migration of oil and water attributed to the enhancement of porosity and permeability in this direction, which in turn means the possibility of finding new stratigraphic traps in this direction mainly western of Nasiriya and Garraf areas. The relationship between depositional environment and diagenetic processes in one hand, and the sediment logical units; tidal lime granular unit revealed the occurrences of khidar al-may which extends up to Al-Managish in Kuwait and Nahar Umar - Majnoon, Nasiriya - Abu Amood, as well as the clayey units represented by isolated and semi isolated lagoonal deposits. Based on the ionic ratios in AlZubair, Nahar Umer and Al-Kifil oil fields, outer shelf

  5. Radium isotope geochemistry of thermal waters, Yellowstone National Park, Wyoming, USA

    NASA Astrophysics Data System (ADS)

    Sturchio, N. C.; Bohlke, J. K.; Markun, F. J.

    1993-03-01

    Radium isotope activities ( 226Ra, 228Ra, and 224Ra), chemical compositions, and sulfur isotope ratios in sulfate were determined for water samples from thermal areas in Yellowstone National Park, Wyoming. Activities of 226Ra in these waters range from <0.2 to 37.9 dpm/kg. Activity ratios of 228Ra /226Ra range from 0.26 to 14.2, and those of 224Ra /228Ra range from 0.73 to 3.1. Radium concentrations are inversely correlated with aquifer equilibration temperatures (estimated from dissolved silica concentrations), while[ Ra/Ba] aq and 228Ra /226Ra activity ratios depend upon U/Ba and Th/U ratios in aquifer rocks. Major controls on Ra concentration in Yellowstone thermal waters are inferred to be (1) barite saturation (at Morris Geyser Basin, Mammoth Hot Springs, and other northern areas) and (2) zeolitewater ion exchange (at Upper Geyser Basin). The data are consistent with a model in which (1) radium and barium are supplied to water by bulk dissolution of aquifer rock, and (2) chemical equilibration of water with rock is rapid relative to the 1602 year half-life of 226Ra. The 228Ra /226Ra activity ratios of the waters may in some cases reflect surface enrichments of 232Th and/or may indicate that α-recoil input of 228Ra is rapid relative to water-rock chemical equilibration. Activity ratios of 224Ra /228Ra indicate a nearly ubiquitous 224Ra excess that generally increases with decreasing pH. Near-surface (≤100 m) thermal water flow velocities at Mammoth Hot Springs are estimated from 224Ra /228Ra variation to be ≥ 1 m h -1.

  6. European Cold-Water Corals: Hydrography and Geochemistry. What is the message?

    NASA Astrophysics Data System (ADS)

    Dullo, W.-C.; Rüggeberg, A.; Flögel, S.

    2009-04-01

    Cold-water corals are known to be abundant in the world's oceans forming unique reef structures mainly built up by colonial azooxanthellate scleractinians Lophelia pertusa and Madrepora oculata. Focusing on the European continental margin, these cold-water coral reefs occur on moraine ridges off Norway to small coral topped mounds and huge coral banks in the Rockall Trough, the Porcupine Seabight, the Gulf of Cadiz, but only have a patchy occurrence in the Mediterranean Sea. Living cold-water coral reefs occur over a wide bathymetric and hydrographical range. We found that cold-water coral reefs are limited to different intermediate water masses. Measurements of the physical and geological properties showed that parameters such as temperature, salinity, dissolved oxygen content, current intensities, and different substrates vary widely without specifically impacting the distribution of living cold-water coral reefs. The habitat of living reefs along the Atlantic European continental margin comprises a temperature-salinity field, with its lower boundary equivalent to the Intermediate Salinity Maximum (ISM). Therefore, cold-water corals of these reefs may report environmental changes, present and past, if the proper geochemical tools are applied. Sr-isotopes seem to be a very promising proxy, since they portray very well the temperature conditions of the ambient seawater from which the coral precipitates. The correlation of established proxies such as ^18O and ^13C with temperature is possible as well, however, it remains difficult since there is no direct temperature equation applicable as in shallow-water corals. Other temperature proxies such as Sr/Ca, Mg/Ca and U/Ca are in?uenced by the complex microstructure of the aragonite skeleton, the rate of calci?cation, and other vital effects observed for coral species. We will present a variety of established and new proxies and will discuss their application and interpretation potential.

  7. [Geochemistry of surface and ground water in the Lijang basin, Northwest Yunnan].

    PubMed

    Pu, Tao; He, Yuan-Qing; Zhu, Guo-Feng; Zhang, Wei; Cao, Wei-Hong; Chang, Li; Wang, Chun-Feng

    2012-01-01

    The study focused on the chemical element compositions of river water and groundwater in Lijiang Basin. Water samples were collected in Baishui, Sanshu, Geji and Shuhe rivers in Lijiang Basin to analyze pH, conductivity and ion concentration, in order to understand the contributions of anthropogenic activities and rock weathering to river solutes. The results show that all water samples are mildly alkaline and are rich in Ca2+ and HCO3-, which account for 54.8 and 92.4 percentage of total ion concentration respectively. Obvious variations have been perceived during monsoon and westward wind season. The ion concentration of river water is lower than that of groundwater. With decreasing elevation, the ion concentrations are found to increase considerably in the study region. According to source study of major ions, water chemistry is mainly influenced by precipitation rock weathering and dissolving processes. In addition, precipitation is an important factor in monsoon seasons whereas the anthropogenic inputs have lead to light pollution on water in residential district.

  8. Geochemistry of formation waters from the Lower Silurian Clinton Formation (Albion Sandstone), eastern Ohio

    SciTech Connect

    Sanders, L.L. )

    1991-10-01

    Waters of the petroleum-bearing Clinton formation (Albion Sandstone) of eastern Ohio are highly concentrated brines with average total dissolved solids (TDS) of 250,000 ppm. Sodium, calcium, and chloride account for 97% of the TDS. Distribution of divalent metal chlorides (MCl{sub 2}) allows inference of an up-dip paleoflow direction, although present-day flow is probably down-dip paleoflow direction, although present-day flow is probably down-dip. Solute distribution may have been emplaced during early basin development; it thus provides a snapshot of paleoflow. Formation structure alone can not explain MCl{sub 2} trends; they probably also are controlled by regional variation in salt thickness. Major constituent data do not indicate that membrane filtration affected the waters. High bromide content (mean = 1,860 ppm) of the water indicates that they originated from evaporating seawater. They probably are related genetically to the Salina evaporite group. Calculations show that several subsequent diagenetic reactions can account for the observed major ion composition. Recrystallization of aragonite and dolomitization of calcite probably occurred as the waters moved through the big Lime and/or the Packer Shell carbonates. Cation exchange and chlorite formation probably altered water composition during interaction with shales of the Cabot Head formation and within the Clinton. Minor constituents of the waters appear to be controlled by reactions with clays.

  9. Ground-water quality and geochemistry in Dayton, Stagecoach, and Churchill Valleys, western Nevada

    USGS Publications Warehouse

    Thomas, James M.; Lawrence, Stephen J.

    1994-01-01

    The U.S. Geological Survey investigated the quality of ground water in the Dayton, Stagecoach, and Churchill Valleys as part of the Carson River Basin National Water-Quality Assessment (NAWQA) pilot study. Four aquifer systems have been de- lineated in the study area. Principal aquifers are unconsolidated deposits at altitudes of less than 4,900 feet above sea level and more than 50 feet below land surface. Shallow aquifers are at altitudes of less than 4,900 feet and less than 50 feet below land surface. Upland aquifers are above 4,900 feet and provide recharge to the principal aquifers. Thermal aquifers, defined as those having a water temperature greater than 30 degrees Celsius, are also present. Ground water used in Dayton, Stagecoach, and Churchill Valleys is pumped from principal aquifers in unconsolidated basin-fill deposits. Ground water in these aquifers originates as precipitation in the adjacent mountains and is recharged by the Carson River and by underflow from adjacent upstream valleys. Ground-water flow is generally parallel to the direction of surface-water flow in the Carson River. Ground water is discharged by pumping, evapo- transpiration, and underflow into the Carson River. The results of geochemical modeling indicate that as ground water moves from upland aquifers in mountainous recharge areas to principal aquifers in basin-fill deposits, the following processes probably occur: (1) plagioclase feldspar, sodium chloride, gypsum (or pyrite), potassium feldspar, and biotite dissolve; (2) calcite precipitates; (3) kaolinite forms; (4) small amounts of calcium and magnesium in the water exchange for potassium on aquifer minerals; and (5) carbon dioxide is gained or lost. The geochemical models are consistent with (1) phases identified in basin- fill sediments; (2) chemical activity of major cations and silica; (3) saturation indices of calcite and amorphous silica; (4) phase relations for aluminosilicate minerals indicated by activity diagrams; and

  10. Geochemistry of ground water in the Gallup, Dakota, and Morrison aquifers, San Juan Basin, New Mexico

    USGS Publications Warehouse

    Dam, W.L.

    1995-01-01

    Ground water was sampled from wells completed in the Gallup, Dakota, and Morrison aquifers in the San Juan Basin, New Mexico, to examine controls on solute concentrations. Samples were collected from 38 wells primarily from the Morrison aquifer (25 wells) in the northwestern part of the basin. A series of samples was collected along ground-water flow paths; dissolved constituents varied horizontally and vertically. The understanding of the flow system changed as a result of the geochemical analyses. The conceptual model of the flow system in the Morrison aquifer prior to the study reported here assumed the Westwater Canyon Member of the Morrison aquifer as the only significant regional aquifer; flow was assumed to be two dimensional; and vertical leakage was assumed to be negligible. The geochemical results indicate that the Westwater Canyon Member is not the only major water-yielding zone and that the flow system is three dimensional. The data presented in this report suggest an upward component of flow into the Morrison aquifer. The entire section above and below the Morrison aquifer appears to be controlled by a three-dimensional flow regime where saline brine leaks near the San Juan River discharge area. Predominant ions in the Gallup aquifer were calcium bicarbonate in recharge areas and sodium sulfate in discharge areas. In the Dakota aquifer, predominant ions were sodium bicarbonate and sodium sulfate. Water in the Morrison aquifer was predominantly sodium bicarbonate in the recharge area, changing to sodium sulfate downgradient. Chemical and radioisotopic data indicate that water from overlying and underlying units mixes with recharge water in the Morrison aquifer. Recharge water contained a large ratio of chlorine-36 to chlorine and a small ratio of bromide to chloride. Approximately 10 miles downgradient, samples from four wells completed in the Morrison aquifer were considerably different in composition compared to recharge samples. Oxygen stable

  11. Seasonal nutrient dynamics in the Anacostia River (D.C., USA): geochemistry and hydrocarbon biomarkers

    NASA Astrophysics Data System (ADS)

    Sarraino, S.; Frantz, D. E.; Macavoy, S. E.

    2010-12-01

    The seasonal biogeochemistry of the urban Anacostia River (Washington D.C. USA) was investigated. Chemical parameters examined include: inorganics (Ca, Mg, Na, S, K, P, NO3, NH4, PO4, B, Ba, Ni, Co); fatty acids and other hydrocarbons; C, N and S stable isotopes; and other water chemistry indicators (hardness, salinity, alkalinity, soluble salts, SAR, TDS). Between April and July 2010, water and sediment were sampled from three tidal freshwater sites along the Anacostia River (UP, MID, and DWN). Two of the selected sites, UP and DWN, are located next to a combined sewage outflow. Water column nutrient analysis shows increasing availability of ammonium (NH4) and nitrate (NO3) at all sites between April and July. At MID, the site showing the highest rates of nutrient growth over the sampling period, NH4 concentrations increase from 0.13 to 1.49 µg/L and NO3 concentrations increase from 0.71 to 2.88 mg/L. A marked NO3 pulse is observed at the DWN site in early May; NO3 concentrations jump from 0.68 to 3.36 mg/L between April 5 and May 6, decreasing to 1.22 mg/L by May 20. Unlike UP and MID, which show NH4 and NO3 increasing concurrently, this NO3 pulse at DWN is accompanied with a decline in NH4 levels, suggestive of an allochthonous NO3 source. Forthcoming stable isotope data are expected to characterize the source of such nitrogen inputs, as well as organic material, throughout the year. Preliminary GC-MS analysis of isolated fatty acids does not explicitly suggest bacterial or higher plant dominance in the spring; however, some notable compounds were identified, such as the PAH fluoranthene, naphthoquinone, and testosterone, as well as a number of cholesterols and other steroids. Higher proportions of bacterial fatty acid biomarkers are expected during the summer. Principle Component Analysis (PCA) of the chemistry data suggests geochemical variables, rather than nutrients, are the driving forces of observed trends. PCA, along with fatty acid characterization and

  12. Change in Magma Dynamics at Okataina Rhyolite Caldera revealed by Plagioclase Textures and Geochemistry

    NASA Astrophysics Data System (ADS)

    Shane, P. A. R.

    2015-12-01

    A fundamental reorganization of magma dynamics at Okataina volcano, New Zealand, occurred at 26 ka involving a change from smaller volume, high-temperature rhyodacite magmas to a lower eruptive tempo of larger volume, low-temperature, rhyolite magmas. Zircon studies demonstrate the presence of a periodically active, long-lived (100,000 yr) magmatic reservoir. However, there is little correlation between periods of zircon crystallization and eruption events. In contrast, the changing magmatic dynamics is revealed in plagioclase growth histories. Crystals from the ~0.7 ka Kaharoa eruption are characterized by resorbed cores displaying a cellular-texture of high-An (>40) zones partially replaced by low-An (<30) zones, surrounded by a resorption surface and a prominent normal-zoned rim (An50-20). Elevated An, Fe, Mg, Sr and Ti follow the resorption surface and display rimward depletion trends, accompanied by Ba and REE enrichment. The zonation is consistent with fractional crystallization and cooling. The cores display wide trace element diversity, pointing to crystallization in a variety of melts, before transport and mixing into a common magma where the rims grew. Plagioclase from the ~36 ka Hauparu eruption display several regrowth zones separated by resorption surfaces, which surround small resorbed cores with a spongy cellular texture of variable An content (An 40-50). The crystals display step-wise re-growth of successively higher An, Fe, Mg and Ti content, consistent with progressive mafic recharge. Two crystal groups are distinguished by trace element chemistry indicating growth in separate melts and co-occurrence via magma-mingling. The contrasting zoning patterns in plagioclase correspond to the evolutionary history of magmatism at Okataina. Emptying of the magma reservoir following caldera eruption at 46 ka reduced barriers to mafic magma ascent. This is recorded by the frequent resorption and recharge episodes in Hauparu crystals. Subsequent re

  13. Hydrogeology, Aquifer Geochemistry, and Ground-Water Quality in Morgan County, West Virginia

    USGS Publications Warehouse

    Boughton, Carol J.; McCoy, Kurt J.

    2006-01-01

    Private and public wells throughout Morgan County, W. Va., were tested to determine aquifer hydraulic, geochemical, and water-quality characteristics. The entire study area is located in the Valley and Ridge Physiographic Province, a region of complex geologic structure and lithology. Aquifers in the study area are characterized by thin to thick bedded formations with interbedding among the various limestones, shales, sandstones, and siltstones that are folded into a series of steeply dipping north-south trending anticlines and synclines. Zones of ground-water production typically consist of one to two fracture sets, with little to no production from unfractured bedrock matrix. Measurements of transmissivity range from 2 to 1,490 feet squared per day, with the larger transmissivities occurring near bedding contacts and in zones with cross-faulting or jointing. Ground water flows from recharge areas in the uplands to local drainages and to deeper flow systems that appear to be controlled by regional geologic structure. The overall flow direction is from south to north within the study area. Ground water within the study area is predominantly a calcium-bicarbonate type water reflecting contact with carbonate rocks. Sodium-bicarbonate and calcium-magnesium-sulfate end-members also exist, with many samples exhibiting mixing, which may be the result of flow between the differing rock types or within units containing both carbonate rocks and shales. Values of water-quality characteristics that were greater than U.S. Environmental Protection Agency drinking-water standards included radon-222, pH, turbidity, iron, manganese, aluminum, and total- and fecal-coliform and Escherichia coli (E. coli) bacteria. Concentrations of radon-222 were detected in all samples from all units, with the largest concentrations (1,330 and 2,170 picocuries per liter) from the Clinton Formation.

  14. Isotope geochemistry of waters affected by acid mine drainage in old labour sites (SE, Spain).

    NASA Astrophysics Data System (ADS)

    Pérez-Sirvent, Carmen; Martinez-Sanchez, Maria Jose; Garcia-Lorenzo, Maria Luz; Agudo, Ines; Hernandez-Cordoba, Manuel; Recio, Clemente

    2015-04-01

    The ore deposits of this zone have iron, lead and zinc as the main metal components. Iron is present in oxides, hydroxides, sulfides, sulfates, carbonates, and silicates; lead and zinc occur in sulfides (galena and sphalerite, respectively), carbonates, sulfates, and lead or zinc-bearing (manganese, iron) oxides. Mining started with the Romans and activity peaked in the second half of the 19th century and throughout the 20th century until the 1980's. From 1940 to 1957, mineral concentration was made by froth flotation and, prior to this, by gravimetric techniques. The mining wastes, or tailings, with a very fine particle size were deposited inland (tailings dams) and, since 1957, huge releases were made in directly the sea coast. The objective of this work was to evaluate processes affecting waters from abandoned mine sites by way of stable isotopic analysis, particularly H and O stable isotopes from water and S and O from dissolved sulfates. Several common chemical and physical processes, such as evaporation, water-rock interaction and mixing could alter water isotopic composition. Evaporation, which causes an enrichment in δD and δ18O in the residual water, is an important process in semiarid areas. The results obtained indicate that, for sites near the coast, waters are meteoric, and marine infiltration only takes place in the deepest layers near the shore or if water remains stagnated in sediments with low permeability. The main source of sulfate was the oxidation of sulfides, resulting in the liberation of acid, sulfate and metals. In order to assess the mechanism responsible for sulfide oxidation, the stoichiometric isotope balance model and the general isotope balance model were tested, suggesting that the oxidation via Fe3+ was predominant in the surface, and controlled by A. ferrooxidans, while at depth, sulfate reduction occurred.

  15. Cryptic Role of Zero-Valent Sulfur in Metal and Metalloid Geochemistry in Euxinic Waters

    NASA Astrophysics Data System (ADS)

    Helz, G. R.

    2014-12-01

    Natural waters that are isolated from the atmosphere in confined aquifers, euxinic basins and sediment pore waters often become sulfidic. These waters are conventionally described simply as reducing environments. But because nature does not constrain their exposure to reducing equivalents (e.g. from organic matter) and oxidizing equivalents (e.g. from Fe,Mn oxides), these reducing environments in fact vary cryptically in their redox characteristics. The implications for trace metal and metalloid cycles are only beginning to be explored. The activity of zero-valent sulfur (aS0), a virtual thermodynamic property, is a potentially useful index for describing this variation. At a particular temperature and ionic strength, aS0 can be quantified from knowledge of pH and the total S(0) to total S(-II) ratio. Although data are incomplete, the deep waters of the Black Sea (aS0 ca. 0.3) appear to be more reducing than the deep waters of the Cariaco Basin (aS0 ca. 0.5) even though both are perennially sulfidic. An apparent manifestation is a greater preponderance of greigite relative to mackinawite in the Cariaco Basin. Interestingly, greigite is stable relative to mackinawite in both basins but predominates only at the higher aS0. Values of aS0 in sulfidic natural waters span the range over which Hg-polysulfide complexes gain predominance over Hg sulfide complexes. Competition between these ligands is thought to influence biological methylation, mercury's route into aquatic and human food chains. In sulfidic deep ground waters, the redox state and consequent mobility of As, a global human hazard, will depend on aS0. At intermediate sulfide concentrations, higher aS0 favors more highly charged and thus less mobile As(V) species relative to As(III) species despite the overall reducing characteristics of such waters. Helz, G.R. (2014) Activity of zero-valent sulfur in sulfidic natural waters. Geochem. Trans. In press.

  16. Hydrology and geochemistry of thermal ground water in southwestern Idaho and north-central Nevada

    USGS Publications Warehouse

    Young, H.W.; Lewis, R.E.

    1980-01-01

    In southwestern Idaho and north-central Nevada, thermal groundwater occurs under artesian conditions in igneous or sedimentary rocks of Tertiary age. Temperatures of the groundwater range from 30 degrees to more than 80 degrees Celsius. Thermal waters are a sodium carbonate or bicarbonate type; nonthermal waters are a calcium bicarbonate. Chemical geothermometers indicate maximum reservoir temperatures near 100 degrees Celsius. Stable-isotope data indicate recharge to the system occurred when climate averaged 3 degrees to 5 degrees Celsius colder than at present; such conditions existed during Holocene glacial advances 3,000 and more than 8,000 years ago. Residence time calculated on the basis of reservoir volume and thermal-water discharge is 3,400 to 6,800 years. Considering estimates of heat flux in and heat discharged by conduction and convection, about 25.0 cubic feet per second, or about 18,000 acre-feet per year, of 50 degrees Celsius water is required to transport excess heat from the system advectively in groundwater. The conceptual model is one where water has circulated thousands, even tens of thousands, of years. Within model constraints, reservoir thermal energy for this geothermal system is 130x10 to the 18th power calories. (USGS)

  17. Precipitation of ikaite crystals in Antarctic marine sediments: implications from pore water geochemistry

    NASA Astrophysics Data System (ADS)

    Lu, Z.; Kennedy, H.; Rickaby, R. E.; Georg, B.; Shaw, S.; Lennie, A.; Pancost, R. D.

    2008-12-01

    Ikaite is a calcium carbonate hexahydrate (CaCO3•6H20) considered to be stable only at low temperatures. It has been found in form of tufa tower at locations where alkaline water mixes with water masses enriched in calcium (e.g. Ikka Fjord, Mono Lake). Large euhedral single crystals of ikaite were also recovered in marine sediments, associated with organic matter degradation, anaerobic oxidation of methane (AOM) and sulfate reduction. The hydration water in the ikaite crystals were demonstrated to record the oxygen isotope composition of the water from which they precipitated. Such a characteristic may allow using ikaite to reconstruct the ice volume in the past. For this purpose, the controls on its precipitation in the sediment column need to be investigated which is the main goal of this study. U.S. Antarctica Program cruise NBP0703 collected two cores with ikaite crystals at Antarctica Peninsula (Bransfield Strait and Firth of Tay). We determined major cation/anion concentrations, dissolved inorganic carbon (DIC) and δ13C composition of DIC in the pore waters in these two cores. Strong organic matter degradation or AOM in both cores results in quick consumption of sulfate in shallow part of the cores (SMT at around 3m).Rapid build-up of DIC is accompanied by the sharp decrease of dissolved calcium in the top 5m. Large variations were observed in δ13CDIC values (-20‰ to +13‰). The δ13C of ikaite in two cores were distinctive from each other (-19‰ and +4‰) corresponding to the DIC pools at different depths. The down core saturation state of the ikaite was modeled in PHREEQC based on the pore water chemistry, and the results are consistent with carbon isotope data, suggesting that these large crystals very likely formed within a narrow depth interval and a short time period (given high sedimentation rates of 0.5-1 cm/yr in this area).

  18. Implications of formation water movement based on isotopic data and elemental geochemistry, southwestern Ontario

    SciTech Connect

    Frape, S.K.; Dollar, P.; Fritz, P.; Travail, R.A.; McNutt, R.H.; MacQueen, R.W.

    1986-08-01

    Formation waters in Paleozoic sediments analyzed for /sup 2/H, /sup 18/O, /sup 87/Sr//sup 86/Sr, tritium, and major/minor contents show the following. (1) The stable isotope contents are typical for formation brines, but have /sup 18/O and /sup 2/H values that group according to formation age, with waters in Cambrian strata being most depleted; and the most concentrated brines do not compare well to known Michigan basin brines. Many waters are Ca-Na-Cl brines similar to typical Canadian shield brines, although the origin of the various chemical species may be masked by intense rock-water interaction. (2) The /sup 87/Sr//sup 86/Sr values for Cambrian brines range from 0.7095 to 0.7102. In one detailed study, the brine and calcite cement had the same value (0.7095), which is slightly higher than Cambrian seawater (0.7091-0.7092), and indicates that the cement precipitated from the brine during diagenesis. The reservoir rock has a /sup 87/Sr//sup 86/Sr value of 0.7330, indicating little or no water/rock exchange. Sr isotopic values for Ordovician brines range from 0.7095 to 0.7103, which is higher than Ordovician seawater (0.7085). In contrast, the Silurian Salina Formation brines and Silurian seawater values are the same (0.7085-0.7087). Despite an active tectonic history, causing considerable faulting and movement within Paleozoic and Precambrian rock strata, the isotopic results for the Cambrian indicate isotopic equilibrium between brine and cement; therefore, these formation waters have not moved since the calcite formed.

  19. Effects of acid mine effluent on sediment and water geochemistry, Ruttan Cu-Zn mine

    USGS Publications Warehouse

    Shilts, W.W.

    1996-01-01

    Waters were collected from the surface and bottom of four lakes as well as from the Churchill River and approximately 20 small ponds beside the Leaf Rapids-Ruttan mine-South Indian Lake road to determine geochemical variations related to tailings and waste rock disposal from the Ruttan Cu-Zn VHMS deposit. Using sonar profiling as a guide, grab samples and cores of sediments were also collected in Ruttan, Brehaut, Rusty, and Alto lakes to investigate the geochemical and sedimentological effects of liming the acid (pH 2.5) outflow from Ruttan Lake. Preliminary results indicate that metals anthropogenically enriched in Ruttan Lake (Zn, Cd, and Hg in particular) are scavenged and precipitated at the inflow end of Brehaut Lake as a result of adding lime solutions to the Vermilion River, midway through the 500 m reach that connects Ruttan Lake and Brehaut Lake. Zn in Ruttan Lake water (up to 17 ppm) is precipitated in the limey sediment. Zn is not enriched in waters of Rusty Lake, the next lake downstream from Brehaut Lake. Rusty Lake has Zn concentrations comparable to background water from Alto Lake (<10 ppb Zn). At present, liming appears to be controlling metal migration effectively, but a body of Zn-Cd-Hg-rich carbonate precipitate occupies the south end of Brehaut Lake which, without liming, would be receiving water of pH 2.5 from Ruttan Lake, resulting in a remobilization of metals. The related study also showed that Zn concentrations are elevated in water in contact with waste rock used to upgrade sections of the Leaf Rapids-South Indian Lake and Brehaut Lake roads.

  20. Ground-Water Geochemistry of Kwajalein Island, Republic of the Marshall Islands, 1991

    USGS Publications Warehouse

    Tribble, Gordon W.

    1997-01-01

    Ground water on Kwajalein Island is an important source of drinking water, particularly during periods of low rainfall. Fresh ground water is found as a thin lens underlain by saltwater. The concentration of dissolved ions increases with depth below the water table and proximity to the shoreline as high-salinity seawater mixes with fresh ground water. The maximum depth of the freshwater lens is 37 ft. Chloride is assumed to be non-reactive under the range of geochemical conditions on the atoll. The concentration of chloride thus is used as a conservative constituent to evaluate freshwater-saltwater mixing within the aquifer. Concentrations of sodium and for the most part, potassium and sulfate, also appear to be determined by conservative mixing between saltwater and rain. Concentrations of calcium, magnesium, and strontium are higher than expected from conservative mixing; these higher concentrations are a result of the dissolution of carbonate minerals. An excess in dissolved inorganic carbon results from carbonate-mineral dissolution and from the oxidation of organic matter in the aquifer; the stoichiometric difference between excess dissolved inorganic carbon and excess bivalent cations is used as a measure of the amount of organic-matter oxidation. Organic-matter oxidation also is indicated by the low concentration of dissolved oxygen, high concentrations of nutrients, and the presence of hydrogen sulfide in many of the water samples. Low levels of dissolved oxygen indicate oxic respiration, and sulfate reduction is indicated by hydrogen sulfide. The amount of dissolved inorganic carbon released during organic-matter oxidation is nearly equivalent to the amount of carbonate-mineral dissolution. Organic-matter oxidation and carbonate-mineral dissolution seem to be most active either in the unsaturated zone or near the top of the water table. The most plausible explanation is that high amounts of oxic respiration in the unsaturated zone generate carbon dioxide

  1. Geohydrology and ground-water geochemistry at a sub-arctic landfill, Fairbanks, Alaska

    USGS Publications Warehouse

    Downey, J.S.

    1990-01-01

    The Fairbanks-North Star Borough, Alaska, landfill is located on silt, sand, and gravel deposits of the Tanana River flood plain, about 3 miles south of the city of Fairbanks water supply wells. The landfill has been in operation for about 25 years in this sub-arctic region of discontinuous permafrost. The cold climate limits biological activity within the landfill with corresponding low gas and leachate production. Chloride concentrations, specific conductance, water temperature, and earth conductivity measurements indicate a small plume of leachate flowing to the northwest from the landfill. The leachate remains near the water table as it flows northwestward toward a drainage ditch. Results of computer modeling of this local hydrologic system indicate that some of the leachate may be discharging to the ditch. Chemical data show that higher-than-background concentrations of several ions are present in the plume. However, the concentrations appear to be reduced to background levels within a short distance along the path of groundwater flow from the landfill, and thus the leachate is not expected to affect the water supply wells. (USGS)

  2. Water-rock interaction and geochemistry of groundwater from the Ain Azel aquifer, Algeria.

    PubMed

    Belkhiri, Lazhar; Mouni, Lotfi; Tiri, Ammar

    2012-02-01

    Hydrochemical, multivariate statistical, and inverse geochemical modeling techniques were used to investigate the hydrochemical evolution within the Ain Azel aquifer, Algeria. Cluster analysis based on major ion contents defined 3 main chemical water types, reflecting different hydrochemical processes. The first group water, group 1, has low salinity (mean EC = 735 μS/cm). The second group waters are classified as Cl-HCO(3)-alkaline earth type. The third group is made up of water samples, the cation composition of which is dominated by Ca and Mg with anion composition varying from dominantly Cl to dominantly HCO(3) plus SO(4). The varifactors obtained from R-mode FA indicate that the parameters responsible for groundwater quality variations are mainly related to the presence and dissolution of some carbonate, silicate, and evaporite minerals in the aquifer. Inverse geochemical modeling along groundwater flow paths indicates the dominant processes are the consumption of CO(2), the dissolution of dolomite, gypsum, and halite, along with the precipitation of calcite, Ca-montmorillonite, illite, kaolinite, and quartz.

  3. Trace element geochemistry in water from selected springs in Death Valley National Park, California

    SciTech Connect

    Kreamer, D.K.; Hodge, V.F.; Rabinowitz, I.; Johannesson, K.H.; Stetzenbach, K.J.

    1996-01-01

    Concentrations of 40 trace elements and other constituents in ground water from springs in Death Valley National Park were measured to investigate whether trace element composition of the ground water can be related to the aquifer materials. Samples from these springs were analyzed by inductively coupled plasma-mass spectrometry (ICP-MS) for the trace elements and by ion chromatography (IC) for the major anions. A Principal Component Analysis was performed on the data set. Surprise and Scotty`s Springs formed one group; Texas, Nevares, and Travertine Springs formed another group; and Mesquite Springs did not group with any of the others. Scotty`s and Surprise Spring issued from volcanic rocks; Texas, Nevares, and Travertine discharge from carbonate rocks; and Mesquite Spring is located in alluvial basin-fill deposits. The first three components in each principal Component Analysis accounted for approximately 95% of the variance in the data set. The Principal Component Analysis suggests that ground water inherits its trace element composition from the rocks or aquifer material with which it has interacted and may be used for the purpose of identifying ground-water movement and source.

  4. Occurrence and Geochemistry of Polonium-210 in Ground Water, Lahontan Valley, Nevada

    NASA Astrophysics Data System (ADS)

    Seiler, R. L.

    2008-12-01

    Substantially more gross alpha radioactivity than could be explained by the presence of uranium led to the discovery of polonium-210 in numerous domestic wells in Lahontan Valley, Nevada. Polonium-210 activities in water from 30 domestic wells ranged from <1 mBq/L to 2,800±95 mBq/L, with a median activity of 350 mBq/L. The source of the polonium is radioactive decay of uranium in sediments eroded from granitic rocks in the Sierra Nevada that has been transported into the valley. In the United States, polonium-210 activities greater than these have been reported for only a few wells in Florida and one well in Louisiana. Polonium-210 activities in ground water rarely exceed about 40 mBq/L because it strongly binds to sediments. On-going research in Lahontan Valley is aimed at identifying the biological and geological factors responsible for mobilization of the polonium. Preliminary results indicate that elevated polonium-210 activities (>400 mBq/L) are associated with anoxic (DO <0.1 mg/L), high pH (>8.5) water. Iron, but not manganese, increases monotonically with polonium. δ34SSO4 values indicate that sulfate reduction has occurred in all of the wells with elevated polonium-210 activities. However, sulfide concentrations were low (≤0.02 mg/L) in all but one well containing >130 mBq/L of polonium-210. This is consistent with previous investigations which have shown that polonium-210 is mobilized by sulfate- reducing bacteria and can remain in solution as long as sulfides do not accumulate. The polonium-210 in the water is not supported by lead-210. In Lahontan Valley ground water, uranium, radon, and polonium are the only significant alpha emitters. Radon and polonium activities are not statistically correlated and wells with elevated polonium-210 activities almost always have uranium concentrations <3 μg/L.

  5. Geochemistry and source waters of rock glacier outflow, Colorado Front Range

    USGS Publications Warehouse

    Williams, M.W.; Knauf, M.; Caine, N.; Liu, F.; Verplanck, P.L.

    2006-01-01

    We characterize the seasonal variation in the geochemical and isotopic content of the outflow of the Green Lake 5 rock glacier (RG5), located in the Green Lakes Valley of the Colorado Front Range, USA. Between June and August, the geochemical content of rock glacier outflow does not appear to differ substantially from that of other surface waters in the Green Lakes Valley. Thus, for this alpine ecosystem at this time of year there does not appear to be large differences in water quality among rock glacier outflow, glacier and blockslope discharge, and discharge from small alpine catchments. However, in September concentrations of Mg2+ in the outflow of the rock glacier increased to more than 900 ??eq L-1 compared to values of less than 40 ??eq L-1 at all the other sites, concentrations of Ca2+ were greater than 4,000 ??eq L-1 compared to maximum values of less than 200 ??eq L-1 at all other sites, and concentrations of SO42- reached 7,000 ??eq L-1, compared to maximum concentrations below 120 ??eq L-1 at the other sites. Inverse geochemical modelling suggests that dissolution of pyrite, epidote, chlorite and minor calcite as well as the precipitation of silica and goethite best explain these elevated concentrations of solutes in the outflow of the rock glacier. Three component hydrograph separation using end-member mixing analysis shows that melted snow comprised an average of 30% of RG5 outflow, soil water 32%, and base flow 38%. Snow was the dominant source water in June, soil water was the dominant water source in July, and base flow was the dominant source in September. Enrichment of ?? 18O from - 10??? in the outflow of the rock glacier compared to -20??? in snow and enrichment of deuterium excess from +17.5??? in rock glacier outflow compared to +11??? in snow, suggests that melt of internal ice that had undergone multiple melt/freeze episodes was the dominant source of base flow. Copyright ?? 2005 John Wiley & Sons, Ltd.

  6. The occurrence and geochemistry of salty ground water in the northern Atlantic Coastal Plain

    SciTech Connect

    Meisler, H.

    1989-01-01

    Salty ground water underlies freshwater in the eastern part of the northern Atlantic Coastal Plain. The transition zone between freshwater and saltwater is represented in this report by a series of maps showing the depths to chloride concentrations of 250, 1,000, 5,000, 10,000, and 18,000 milligrams per liter. The maps are based on chloride data obtained from water-quality analyses supplemented by interpretation of borehole spontaneous-potential and resistivity logs. They indicate that the transition zone between 250 and 18,000 milligrams of chloride per liter ranges in thickness from 400 to 2,200 feet. The saltwater-freshwater transition zone is shallowest in North Carolina and deepens northward, attaining its greatest depth in Maryland and New Jersey. It deepens inland from the coast except locally in North Carolina and in New Jersey, where it is deepest along the coast. Depth to the saltwater-freshwater transition zone is partly controlled by the natural flow pattern of fresh ground water; areas where the transition zone is relatively shallow commonly coincide with areas of natural ground-water discharge. The broad saltwater-freshwater transition zone is attributed to the mixing of freshwater and saltwater caused by large-scale sea-level fluctuations, probably during the late Tertiary and Quaternary. Mixing of freshwater with seawater predominates in North Carolina, whereas mixing with brine is more significant from Virginia to New Jersey. The most likely origin of the brine is from the leaching of evaporitic strata beneath the Continental Shelf and the westward movement of the brines, initially during basinal compaction and subsequently during periods of sea-level rise.

  7. Uranium-thorium isotope geochemistry of saline ground waters from central Missouri

    SciTech Connect

    Banner, J.L.; Chen, J.H.; Wasserburg, G.J.

    1989-03-01

    The isotopic and elemental distributions of uranium and thorium were examined in a suite of saline ground waters from central Missouri using mass spectrometric techniques. The waters were sampled from natural springs and artesian wells in Mississippian and Ordovician aquifers and have a wide range in salinity (5 to 26 /per thousand/), deltaD (/minus/108 to /minus/45 /per thousand/), and delta/sup 18/O (/minus/14.7 to /minus/6.5 /per thousand/) values. The suite of samples has a large range in /sup 238/U (50 to 200 x 10/sup /minus/12/g/g) and /sup 232/Th (0.3 to 9.1 x 10/sup /minus/12/g/g) concentrations and extremely high /sup 234/U//sup 238/U activity ratios ranging from 2.15 to 16.0. These isotopic compositions represent pronounced uranium-series disequilibrium compared with the value of modern seawater (1.15) or the equilibrium value (1.00). For such /sup 234/U-enriched waters, /sup 234/U//sup 238/U isotope ratios can be determined with a precision of /+-/ 10 /per thousand/ (2sigma) on 10 mL of sample and less than /+-/5 /per thousand/ on 100 mL. In contrast to the large /sup 234/U enrichments, /sup 230/Th//sup 238/U activity ratios in the ground waters are significantly lower than the equilibrium value. The more saline samples have markedly higher /sup 234/U//sup 238/U activity ratios and lower deltaD and delta/sup 18/O values. Unfiltered and filtered (< 0.1 ..mu..m) aliquots of a saline sample have the same isotopic composition and concentration of uranium, indicating uranium essentially occurs entirely as a dissolved species. The filtered/unfiltered concentration ratio for thorium in this sample is 0.29, demonstrating the predominant association of thorium with particulates.

  8. Travertines associated with the Alhama-Jaraba thermal waters (NE, Spain): Genesis and geochemistry

    NASA Astrophysics Data System (ADS)

    Asta, Maria P.; Auqué, Luis F.; Sanz, Francisco J.; Gimeno, Maria J.; Acero, Patricia; Blasco, Mónica; García-Alix, Antonio; Gómez, Javier; Delgado-Huertas, Antonio; Mandado, Juan

    2017-01-01

    Freshwater carbonates are interesting archives in palaeoenvironmental reconstructions. However, more studies of those systems are needed to fully understand past environments. In this work the actively-forming travertines of the Alhama-Jaraba thermal system were studied for the first time in order to evaluate the relationship between the geochemical and mineralogical composition and the environmental conditions during their formation. With that aim, a combination of petrographical, mineralogical, geochemical and stable isotope analyses were carried out. These carbonates provide a natural laboratory for the study of the effect of different variables (natural and anthropogenic) on carbonate precipitation. The results showed that there is a close relationship between the mineralogy of the solid precipitates and the formation temperature, and only the samples formed from overheated waters (40-60 °C) show significant concentrations of aragonite. Aragonite-bearing samples show higher concentrations in Sr, Ba and U while calcitic solids are enriched in Mg. These differences could be attributed to mineralogy, temperature or different precipitation rates. The geochemical evaluation of the chemistry of both the solids and their parental waters suggests that differences in the rate of CO2-degassing and, in some cases, evaporation are the primary environmental controls on isotopic compositions. In addition, the results show that, if strong evaporation and CO2-degassing are involved, calcite precipitation occurs under conditions of isotopic disequilibrium with its parental water. The results of our study are useful to interpret old depositional environments and palaeotemperatures.

  9. Fluoride geochemistry of thermal waters in Yellowstone National Park: I. Aqueous fluoride speciation

    USGS Publications Warehouse

    Deng, Y.; Nordstrom, D.K.; Blaine, McCleskey R.

    2011-01-01

    Thermal water samples from Yellowstone National Park (YNP) have a wide range of pH (1-10), temperature, and high concentrations of fluoride (up to 50mg/l). High fluoride concentrations are found in waters with field pH higher than 6 (except those in Crater Hills) and temperatures higher than 50??C based on data from more than 750 water samples covering most thermal areas in YNP from 1975 to 2008. In this study, more than 140 water samples from YNP collected in 2006-2009 were analyzed for free-fluoride activity by ion-selective electrode (ISE) method as an independent check on the reliability of fluoride speciation calculations. The free to total fluoride concentration ratio ranged from <1% at low pH values to >99% at high pH. The wide range in fluoride activity can be explained by strong complexing with H+ and Al3+ under acidic conditions and lack of complexing under basic conditions. Differences between the free-fluoride activities calculated with the WATEQ4F code and those measured by ISE were within 0.3-30% for more than 90% of samples at or above 10-6 molar, providing corroboration for chemical speciation models for a wide range of pH and chemistry of YNP thermal waters. Calculated speciation results show that free fluoride, F-, and major complexes (HF(aq)0, AlF2+, AlF2+ and AlF30) account for more than 95% of total fluoride. Occasionally, some complex species like AlF4-, FeF2+, FeF2+, MgF+ and BF2(OH)2- may comprise 1-10% when the concentrations of the appropriate components are high. According to the simulation results by PHREEQC and calculated results, the ratio of main fluoride species to total fluoride varies as a function of pH and the concentrations and ratios of F and Al. ?? 2011.

  10. Seeking evidence of multidisciplinarity in environmental geochemistry and health: an analysis of arsenic in drinking water research.

    PubMed

    Aderibigbe, Abiodun D; Stewart, Alex G; Hursthouse, Andrew S

    2017-02-24

    A multidisciplinary approach to research affords the opportunity of objectivity, creation of new knowledge and potentially a more generally acceptable solution to problems that informed the research in the first place. It increasingly features in national programmes supporting basic and applied research, but for over 40 years, has been the arena for many research teams in environmental geochemistry and health. This study explores the nature of multidisciplinary research in the earth and health sciences using a sample selected from co-authored articles reporting research on arsenic (As) in drinking water from 1979 to 2013. A total of 889 relevant articles were sourced using the online version of the science citation index-expanded (SCI-expanded). The articles were classified according to author affiliation and later by author discipline/research interests using the Revised Field of Science and Technology Frascati manual DSTI/EAS/STP/NESTI (2006) 19/FINAL and a decision algorithm. Few articles were published on the topic until 2000. More articles were published across all affiliations in the last 10 years of the review period (2004-2013) than in the first 10 years (1979-1988). Only 84 (~9%) articles fell within the "earth and health" only and "earth, health and other" categories when classification was undertaken by author affiliation alone. This suggests that level of collaboration between earth and health scientists in arsenic in drinking water research may be very low. By refining the classification further using author discipline/research interests, only 28 of the 84 articles appear to be co-authored by earth and health scientists alongside professionals in other fields. More than half of these 28 articles involved descriptive non-experimental, observational study designs, limited in direct causal hypotheses and mechanistic investigation. If collaborative research is to lead to the increased multidisciplinary research, early interaction should be encouraged

  11. Cr(VI) Occurrence and Geochemistry in Water From Public-Supply Wells in California

    SciTech Connect

    Izbicki, John A.; Wright, Michael T.; Seymour, Whitney A.; McCleskey, R. Blaine; Fram, Miranda S.; Belitz, Kenneth; Esser, Bradley K.

    2015-08-18

    Hexavalent chromium, Cr(VI), in 918 wells sampled throughout California between 2004 and 2012 by the Groundwater Ambient Monitoring and Assessment Program—Priority Basin Project (GAMA—PBP) ranged from less than the study reporting limit (SRL) of 1 microgram per liter (μg/L) to 32 μg/L. Statewide, Cr(VI) was reported in 31 percent of sampled wells and equaled or exceeded the recently established (2014) California Maximum Contaminant Level (MCL) for Cr(VI) of 10 μg/L in 4 percent of sampled wells. Cr(VI) data collected for regulatory purposes overestimate Cr(VI) occurrence. Ninety percent of chromium was present as Cr(VI), which was detected more frequently and at higher concentrations in alkaline (pH > 8), oxic water, and more frequently in agricultural and urban land uses compared to native land uses. Chemical, isotopic (tritium and carbon-14), and noble-gas data show high Cr(VI) in water from wells in alluvial aquifers in the southern California deserts result from long groundwater-residence times and geochemical reactions such as silicate weathering that increase pH, while oxic conditions persist. High Cr(VI) in water from wells in alluvial aquifers along the west-side of the Central Valley results from high-chromium abundance in source rock eroded to form those aquifers, and areal recharge processes (including irrigation return) that mobilize chromium from the unsaturated zone. Cr(VI) co-occurred with oxyanions having similar chemistry, including vanadium, selenium, and uranium. Cr(VI) was positively correlated with nitrate, consistent with increased concentrations in areas of agricultural land use and mobilization of chromium from the unsaturated zone by irrigation return.

  12. Cr(VI) Occurrence and Geochemistry in Water From Public-Supply Wells in California

    DOE PAGES

    Izbicki, John A.; Wright, Michael T.; Seymour, Whitney A.; ...

    2015-08-18

    Hexavalent chromium, Cr(VI), in 918 wells sampled throughout California between 2004 and 2012 by the Groundwater Ambient Monitoring and Assessment Program—Priority Basin Project (GAMA—PBP) ranged from less than the study reporting limit (SRL) of 1 microgram per liter (μg/L) to 32 μg/L. Statewide, Cr(VI) was reported in 31 percent of sampled wells and equaled or exceeded the recently established (2014) California Maximum Contaminant Level (MCL) for Cr(VI) of 10 μg/L in 4 percent of sampled wells. Cr(VI) data collected for regulatory purposes overestimate Cr(VI) occurrence. Ninety percent of chromium was present as Cr(VI), which was detected more frequently and atmore » higher concentrations in alkaline (pH > 8), oxic water, and more frequently in agricultural and urban land uses compared to native land uses. Chemical, isotopic (tritium and carbon-14), and noble-gas data show high Cr(VI) in water from wells in alluvial aquifers in the southern California deserts result from long groundwater-residence times and geochemical reactions such as silicate weathering that increase pH, while oxic conditions persist. High Cr(VI) in water from wells in alluvial aquifers along the west-side of the Central Valley results from high-chromium abundance in source rock eroded to form those aquifers, and areal recharge processes (including irrigation return) that mobilize chromium from the unsaturated zone. Cr(VI) co-occurred with oxyanions having similar chemistry, including vanadium, selenium, and uranium. Cr(VI) was positively correlated with nitrate, consistent with increased concentrations in areas of agricultural land use and mobilization of chromium from the unsaturated zone by irrigation return.« less

  13. Cr(VI) occurrence and geochemistry in water from public-supply wells in California

    USGS Publications Warehouse

    Izbicki, John; Wright, Michael; Seymour, Whitney A.; McCleskey, R. Blaine; Fram, Miranda S.; Belitz, Kenneth; Esser, Bradley K.

    2015-01-01

    Hexavalent chromium, Cr(VI), in 918 wells sampled throughout California between 2004 and 2012 by the Groundwater Ambient Monitoring and Assessment-Priority Basin Project (GAMA-PBP) ranged from less than the study reporting limit of 1 microgram per liter (μg/L) to 32 μg/L. Statewide, Cr(VI) was reported in 31 percent of wells and equaled or exceeded the recently established (2014) California Maximum Contaminant Level (MCL) for Cr(VI) of 10 μg/L in 4 percent of wells. Cr(VI) data collected for regulatory purposes overestimated Cr(VI) occurrence compared to spatially-distributed GAMA-PBP data. Ninety percent of chromium was present as Cr(VI), which was detected more frequently and at higher concentrations in alkaline (pH ≥ 8), oxic water; and more frequently in agricultural and urban land uses compared to native land uses. Chemical, isotopic (tritium and carbon-14), and noble-gas data show high Cr(VI) in water from wells in alluvial aquifers in the southern California deserts result from long groundwater-residence times and geochemical reactions such as silicate weathering that increase pH, while oxic conditions persist. High Cr(VI) in water from wells in alluvial aquifers along the west-side of the Central Valley results from high-chromium in source rock eroded to form those aquifers, and areal recharge processes (including irrigation return) that can mobilize chromium from the unsaturated zone. Cr(VI) co-occurred with oxyanions having similar chemistry, including vanadium, selenium, and uranium. Cr(VI) was positively correlated with nitrate, consistent with increased concentrations in areas of agricultural land use and mobilization of chromium from the unsaturated zone by irrigation return.

  14. Mineralogy and geochemistry of efflorescent minerals on mine tailings and their potential impact on water chemistry.

    PubMed

    Grover, B P C; Johnson, R H; Billing, D G; Weiersbye, I M G; Tutu, H

    2016-04-01

    In the gold mining Witwatersrand Basin of South Africa, efflorescent mineral crusts are a common occurrence on and nearby tailings dumps during the dry season. The crusts are readily soluble and generate acidic, metal- and sulphate-rich solutions on dissolution. In this study, the metal content of efflorescent crusts at an abandoned gold mine tailings dump was used to characterise surface and groundwater discharges from the site. Geochemical modelling of the pH of the solution resulting from the dissolution of the crusts was used to better understand the crusts' potential impact on water chemistry. The study involved two approaches: (i) conducting leaching experiments on oxidised and unoxidised tailings using artificial rainwater and dilute sulphuric acid and correlating the composition of crusts to these leachates and (ii) modelling the dissolution of the crusts in order to gain insight into their mineralogy and their potential impact on receiving waters. The findings suggested that there were two chemically distinct discharges from the site, namely an aluminium- and magnesium-rich surface water plume and an iron-rich groundwater plume. The first plume was observed to originate from the oxidised tailings following leaching with rainwater while the second plume originated from the underlying unoxidised tailings with leaching by sulphuric acid. Both groups of minerals forming from the respective plumes were found to significantly lower the pH of the receiving water with simulations of their dissolution found to be within 0.2 pH units of experimental values. It was observed that metals in a low abundance within the crust (for example, iron) had a stronger influence on the pH of the resulting solutions than metals in a greater abundance (aluminium or magnesium). Techniques such as powder X-ray diffraction (PXRD) and in situ mineral determination techniques such as remote sensing can effectively determine the dominant mineralogy. However, the minerals or metals

  15. Geochemistry of summit fumarole vapors and flanking thermal/mineral waters at Popocatepetl Volcano, Mexico

    SciTech Connect

    Werner, C.; Goff, F.; Janik, C.J.

    1997-06-01

    Popocatepetl Volcano is potentially devastating to populations living in the greater Mexico City area. Systematic monitoring of fumarole gases and flanking thermal/mineral springs began in early 1994 after increased fumarolic and seismic activity were noticed in 1991. These investigations had two major objectives: (1) to determine if changes in magmatic conditions beneath Popocatepetl might be reflected by chemical changes in fumarolic discharges and (2) to determine if thermal/mineral spring waters in the vicinity of Popocatepetl are geochemically related to or influences by the magmatic system. This report summarizes results from these two discrete studies.

  16. Water and gas geochemistry of the Calatrava Volcanic Province (CVP) hydrothermal system (Ciudad Real, central Spain)

    NASA Astrophysics Data System (ADS)

    Vaselli, Orlando; Nisi, Barbara; Tassi, Franco; Giannini, Luciano; Grandia, Fidel; Darrah, Tom; Capecchiacci, Francesco; del Villar, Pèrez

    2013-04-01

    An extensive geochemical and isotopic investigation was carried out in the water and gas discharges of the Late Miocene-Quaternary Calatrava Volcanic Province (CVP) (Ciudad Real, Spain) with the aim reconstruct the fluid circulation in the area. CVP consists of a series of scattered (monogenetic) vents from where alkaline lava flows and pyroclastic deposits formed in two different periods. The first stage (8.7-6.4 Ma) mainly included ultra-potassic mafic extrusives, whilst the second stage (4.7-1.75 Ma) prevalently originated alkaline and ultra-alkaline volcanics. Both stages were followed by a volcanic activity that extended up to 1.3 and 0.7 Ma, respectively. This area can likely be regarded as one of the most important emitting zones of CO2 in the whole Peninsular Spain along with that of Selva-Emporda in northeastern Spain (Cataluña) and it can be assumed as one of the best examples of natural analogues of CO2 leakages in Spain. This latter aspect is further evidenced by the relatively common water-gas blast events that characterize the CCVF. In the last few years the presence of a CO2-pressurized reservoir at a relatively shallow level as indeed caused several small-sized explosion particularly during the drilling of domestic wells. The fluid discharging sites are apparently aligned along well-defined directions: NW-SE and NNW-SSE and subordinately, ENE-WSW, indicating a clear relationship between the thermal discharges and the volcanic centers that also distribute along these lineaments. The CVP waters are mostly hypothermal (up to 33 °C) and are generally Mg(Ca)-HCO3 in composition and occasionally show relatively high concentrations of Fe and Mn, with pH and electrical conductivity down to 5.5 and up to 6.5 mS/cm, respectively. The oxygen and hydrogen isotopes suggest a meteoric origin for these waters. The mantle source of these volcanic products is apparently preserved in the many CO2-rich (up to 990,000 mmol/mol) gas discharges that characterize CVP

  17. Hydrogeologic framework and geochemistry of the Edwards aquifer saline-water zone, south-central Texas

    USGS Publications Warehouse

    Groschen, George E.; Buszka, Paul M.

    1997-01-01

    Estimated in-place temperature of the samples collected indicates an increase with depth and (or) distance from the downdip limit of freshwater. The pH of the samples decreases with increasing distance from the downdip limit of freshwater, but the decrease is caused partly by the increase in temperature. Dissolved major ions and dissolved solids concentrations all indicate a progressive but monotonic increase in salinity from updip to downdip. The alkalinity of the water samples is predominantly bicarbonate because the low-molecular weight aliphatic-acid anion concentrations are small relative to the bicarbonate concentrations. The dissolved organic carbon concentrations also are lower than expected for an aquifer with economic amounts of oil and gas hydrocarbons.

  18. Organic geochemistry of deep ground waters from the Palo Duro Basin, Texas: implications for radionuclide complexation, ground-water origin, and petroleum exploration

    SciTech Connect

    Means, J.L.; Hubbard, N.J.

    1985-05-01

    This report describes the organic geochemistry of 11 ground-water samples from the Palo Duro Basin, Texas and discusses the implications of their organic geochemical compositions in terms of radionuclide complexation, ground-water origin, and the petroleum potential of two candidate repository sites in Deaf Smith and Swisher Counties. Short-chain aliphatic acid anions are the principal organic constituents present. Stability constant data and simple chemical equilibria calculations suggest that short-chain aliphatic acids are relatively weak complexing agents. The extent of complexation of a typical actinide by selected inorganic ligands present in these brines is expected to far outweigh actinide complexation by the aliphatic acid anions. Various lines of evidence suggest that some portion of the bromide concentrations in the brines is derived from the same source as the short-chain aliphatic acid anions. When the postulated organic components are subtracted from total bromide concentrations, the origins of the Palo Duro brines, based on chloride versus bromide relationships, appear largely consistent with origins based on isotopic evidence. The short-chain aliphatic acid anion content of the Palo Duro brines is postulated to have been much greater in the geologic past. Aliphatic acid anions are but one of numerous petroleum proximity indicators, which consistently suggest a greater petroleum exploration potential for the area surrounding the Swisher County site than the region encompassing the candidate site in Deaf Smith County. Short-chain aliphatic acid anions appear to provide a useful petroleum exploration tool as long as the complex reactions that may dimish their concentrations in ground water are recognized. 71 refs., 10 figs., 10 tabs.

  19. Geochemistry of Precambrian carbonates: II. Archean greenstone belts and Archean sea water.

    PubMed

    Veizer, J; Hoefs, J; Lowe, D R; Thurston, P C

    1989-01-01

    Carbonate rocks with geological attributes of marine sediments are a minor component of the Archean greenstone belts. Despite their relative scarcity, these rocks are important because they record chemical and isotopic properties of coeval oceans. The greenstones containing such carbonates appear to cluster at approximately 2.8 +/- 0.2 and approximately 3.5 +/- 0.1 Ga ago. The samples for the younger group are from the Abitibi, Yellowknife, Wabigoon (Steep Rock Lake), Michipicoten and Uchi greenstone belts of Canada and the "Upper Greenstones" of Zimbabwe. The older group includes the Swaziland Supergroup of South Africa, Warrawoona Group of Australia and the Sargur marbles of India. Mineralogically, the carbonates of the younger greenstones are mostly limestones and of the older ones, ferroan dolomites (ankerites); the latter with some affinities to hydrothermal carbonates. In mineralized areas with iron ores, the carbonate minerals are siderite +/- ankerite, irrespective of the age of the greenstones. Iron-poor dolomites represent a later phase of carbonate generation, related to post-depositional tectonic faulting. The original mineralogy of limestone sequences appears to have been an Sr-rich aragonite. The Archean carbonates yield near-mantle Sr isotopic values, with (87Sr/86Sr)o of 0.7025 +/- 0.0015 and 0.7031 +/- 0.0008 for younger and older greenstones, respectively. The best preserved samples give delta 13C of +1.5 +/- 1.5% PDB, comparable to their Phanerozoic counterparts. In contrast, the best estimate for delta 18O is -7% PDB. Archean limestones, compared to Phanerozoic examples, are enriched in 16O as well as in Mn2+ and Fe2+, and these differences are not a consequence of post-depositional alteration phenomena. The mineralogical and chemical attributes of Archean carbonates (hence sea water) are consistent with the proposition that the composition of the coeval oceans may have been buffered by a pervasive interaction with the "mantle", that is, with

  20. Arsenic-rich acid mine water with extreme arsenic concentration: mineralogy, geochemistry, microbiology, and environmental implications.

    PubMed

    Majzlan, Juraj; Plášil, Jakub; Škoda, Radek; Gescher, Johannes; Kögler, Felix; Rusznyak, Anna; Küsel, Kirsten; Neu, Thomas R; Mangold, Stefan; Rothe, Jörg

    2014-12-02

    Extremely arsenic-rich acid mine waters have developed by weathering of native arsenic in a sulfide-poor environment on the 10th level of the Svornost mine in Jáchymov (Czech Republic). Arsenic rapidly oxidizes to arsenolite (As2O3), and there are droplets of liquid on the arsenolite crust with high As concentration (80,000-130,000 mg·L(-1)), pH close to 0, and density of 1.65 g·cm(-1). According to the X-ray absorption spectroscopy on the frozen droplets, most of the arsenic is As(III) and iron is fully oxidized to Fe(III). The EXAFS spectra on the As K edge can be interpreted in terms of arsenic polymerization in the aqueous solution. The secondary mineral that precipitates in the droplets is kaatialaite [Fe(3+)(H2AsO4)3·5H2O]. Other unusual minerals associated with the arsenic lens are běhounekite [U(4+)(SO4)2·4H2O], štěpite [U(4+)(AsO3OH)2·4H2O], vysokýite [U(4+)[AsO2(OH)2]4·4H2O], and an unnamed phase (H3O)(+)2(UO2)2(AsO4)2·nH2O. The extremely low cell densities and low microbial biomass have led to insufficient amounts of DNA for downstream polymerase chain reaction amplification and clone library construction. We were able to isolate microorganisms on oligotrophic media with pH ∼ 1.5 supplemented with up to 30 mM As(III). These microorganisms were adapted to highly oligotrophic conditions which disabled long-term culturing under laboratory conditions. The extreme conditions make this environment unfavorable for intensive microbial colonization, but our first results show that certain microorganisms can adapt even to these harsh conditions.

  1. Influence of rock composition on the geochemistry of stream and spring waters from mountainous watersheds in the Gunnison, Uncompahgre, and Grand Mesa National Forests, Colorado

    USGS Publications Warehouse

    Miller, William Roger

    2002-01-01

    The ranges of geochemical baselines for stream and spring waters were determined and maps were constructed showing acid-neutralizing capacity and potential release of total dissolved solids for streams and spring waters for watersheds underlain by each of ten different rock composition types in the Gunnison, Uncompahgre, and Grand Mesa National Forests, Colorado (GMUG). Water samples were collected in mountainous headwater watersheds that have comparatively high precipitation and low evapotranspiration rates and that generally lack extensive ground-water reservoirs. Mountainous headwaters react quickly to changes in input of water from rain and melting snow and they are vulnerable to anthropogenic impact. Processes responsible for the control and mobility of elements in the watersheds were investigated. The geochemistry of water from the sampled watersheds in the GMUG, which are underlain by rocks that are relatively unmineralized, is compared to the geochemistry of water from the mineralized Redcloud Peak area. The water with the highest potential for release of total dissolved solids is from watersheds that are underlain by Paleozoic sedimentary rocks; that high potential is caused primarily by gypsum in those rocks. Water that has the highest acid-neutralizing capacity is from watersheds that are underlain by Paleozoic sedimentary rocks. The water from watersheds underlain by the Mancos Shale has the next highest acid-neutralizing capacity. Water that has the lowest acid-neutralizing capacity is from watersheds that are underlain by Tertiary ash-flow tuff. Tertiary sedimentary rocks containing oil shale, the Mesavede Formation containing coal, and the Mancos Shale all contain pyrite with elevated metal contents. In these mountainous head-water areas, water from watersheds underlain by these rock types is only slightly impacted by oxidation of pyrite, and over-all it is of good chemical quality. These geochemical baselines demonstrate the importance of rock

  2. Spatial and temporal dynamics of sediment in contrasted mountainous watersheds (Mexican transvolcanic belt and French Southern Alps) combining river gauging, elemental geochemistry and fallout radionuclides

    NASA Astrophysics Data System (ADS)

    Evrard, O.; Navratil, O.; Gratiot, N.; Némery, J.; Duvert, C.; Ayrault, S.; Lefèvre, I.; Legout, C.; Bonté, P.; Esteves, M.

    2009-12-01

    In mountainous environments, an excessive fine sediment supply to the rivers typically leads to an increase in water turbidity, contaminant transport and a rapid filling of reservoirs. This situation is particularly problematic in regions where water reservoirs are used to provide drinking water to large cities (e.g. in central Mexico) or where stream water is used to run hydroelectric power plants (e.g. in the French Southern Alps). In such areas, sediment source areas first need to be delineated and sediment fluxes between hillslopes and the river system must be better understood before implementing efficient erosion control measures. In this context, the STREAMS (« Sediment Transport and Erosion Across MountainS ») project funded by the French National Research Agency (ANR) aims at understanding the spatial and temporal dynamics of sediment at the scale of mountainous watersheds (between 500 - 1000 km2) located in contrasted environments. This 3-years study is carried out simultaneously in a volcanic watershed located in the Mexican transvolcanic belt undergoing a subhumid tropical climate, as well as in a sedimentary watershed of the French Southern Alps undergoing a transitional climate with Mediterranean and continental influences. One of the main specificities of this project consists in combining traditional monitoring techniques (i.e. installation of river gauges, turbidimeters and sediment samplers in several sub-catchments) and sediment fingerprinting using elemental geochemistry (measured by Instrumental Neutron Activation Analysis - INAA - and Inductively Coupled Plasma - Mass Spectrometry - ICP-MS) and fallout radionuclides (measured by gamma spectrometry). In the French watershed, geochemical analysis allows outlining different sediment sources (e.g. the contribution of calcareous vs. marl-covered sub-watersheds). Radionuclide ratios (e.g.Be-7/Cs-137) allow identifying the dominant erosion processes occurring within the watershed. Areas mostly

  3. Sulfur geochemistry of hydrothermal waters in Yellowstone National Park, Wyoming, USA. III. An anion-exchange resin technique for sampling and preservation of sulfoxyanions in natural waters

    USGS Publications Warehouse

    Druschel, G.K.; Schoonen, M.A.A.; Nordstorm, D.K.; Ball, J.W.; Xu, Y.; Cohn, C.A.

    2003-01-01

    A sampling protocol for the retention, extraction, and analysis of sulfoxyanions in hydrothermal waters has been developed in the laboratory and tested at Yellowstone National Park and Green Lake, NY. Initial laboratory testing of the anion-exchange resin Bio-Rad??? AG1-X8 indicated that the resin was well suited for the sampling, preservation, and extraction of sulfate and thiosulfate. Synthetic solutions containing sulfate and thiosulfate were passed through AG1-X8 resin columns and eluted with 1 and 3 M KCl, respectively. Recovery ranged from 89 to 100%. Comparison of results for water samples collected from five pools in Yellowstone National Park between on-site IC analysis (U.S. Geological Survey mobile lab) and IC analysis of resin-stored sample at SUNY-Stony Brook indicates 96 to 100% agreement for three pools (Cinder, Cistern, and an unnamed pool near Cistern) and 76 and 63% agreement for two pools (Sulfur Dust and Frying Pan). Attempts to extract polythionates from the AG1-X8 resin were made using HCl solutions, but were unsuccessful. Bio-Rad??? AG2-X8, an anion-exchange resin with weaker binding sites than the AG1-X8 resin, is better suited for polythionate extraction. Sulfate and thiosulfate extraction with this resin has been accomplished with KCl solutions of 0.1 and 0.5 M, respectively. Trithionate and tetrathionate can be extracted with 4 M KCl. Higher polythionates can be extracted with 9 M hydrochloric acid. Polythionate concentrations can then be determined directly using ion chromatographic methods, and laboratory results indicate recovery of up to 90% for synthetic polythionate solutions using AG2-X8 resin columns. ?? The Royal Society of Chemistry and the Division of Geochemistry of the American Chemical Society 2003.

  4. Sulfur geochemistry of hydrothermal waters in Yellowstone National Park: I. The origin of thiosulfate in hot spring waters

    USGS Publications Warehouse

    Xu, Y.; Schoonen, M.A.A.; Nordstrom, D.K.; Cunningham, K.M.; Ball, J.W.

    1998-01-01

    Thiosulfate (S2O2-3), polythionate (SxO2-6), dissolved sulfide (H2S), and sulfate (SO2-4) concentrations in thirty-nine alkaline and acidic springs in Yellowstone National Park (YNP) were determined. The analyses were conducted on site, using ion chromatography for thiosulfate, polythionate, and sulfate, and using colorimetry for dissolved sulfide. Thiosulfate was detected at concentrations typically less than 2 ??mol/L in neutral and alkaline chloride springs with low sulfate concentrations (C1-/SO2-4 > 25). The thiosulfate concentration levels are about one to two orders of magnitude lower than the concentration of dissolved sulfide in these springs. In most acid sulfate and acid sulfate-chloride springs (Cl-/SO2-4 < 10), thiosulfate concentrations were also typically lower than 2 ??mol/L. However, in some chloride springs enriched with sulfate (Cl-/SO2-4 between 10 to 25), thiosulfate was found at concentrations ranging from 9 to 95 ??mol/L, higher than the concentrations of dissolved sulfide in these waters. Polythionate was detected only in Cinder Pool, Norris Geyser basin, at concentrations up to 8 ??mol/L, with an average S-chain-length from 4.1 to 4.9 sulfur atoms. The results indicate that no thiosulfate occurs in the deeper parts of the hydrothermal system. Thiosulfate may form, however, from (1) hydrolysis of native sulfur by hydrothermal solutions in the shallower parts (<50 m) of the system, (2) oxidation of dissolved sulfide upon mixing of a deep hydrothermal water with aerated shallow groundwater, and (3) the oxidation of dissolved sulfide by dissolved oxygen upon discharge of the hot spring. Upon discharge of a sulfide-containing hydrothermal water, oxidation proceeds rapidly as atmospheric oxygen enters the water. The transfer of oxygen is particularly effective if the hydrothermal discharge is turbulent and has a large surface area.

  5. Sulfur geochemistry of hydrothermal waters in Yellowstone National Park. 1: The origin of thiosulfate in hot spring waters

    SciTech Connect

    Xu, Y.; Schoonen, M.A.A.; Nordstrom, D.K.; Cunningham, K.M.; Ball, J.W.

    1998-12-01

    Thiosulfate (S{sub 2}O{sub 3}{sup 2{minus}}), polythionate (S{sub x}O{sub 6}{sup 2{minus}}), dissolved sulfide (H{sub 2}S), and sulfate (SO{sub 4}{sup 2{minus}}) concentrations in thirty-nine alkaline and acidic springs in Yellowstone National Park (YNP) were determined. The analyses were conducted on site, using ion chromatography for thiosulfate, polythionate, and sulfate, and using colorimetry for dissolved sulfide. Thiosulfate was detected at concentrations typically less than 2 {micro}mol/L in neutral and alkaline chloride springs with low sulfate concentrations (Cl{sup {minus}}/SO{sub 4}{sup 2{minus}} > 25). The thiosulfate concentration levels are about one to two orders of magnitude lower than the concentration of dissolved sulfide in these springs. In most acid sulfate and acid sulfate-chloride springs (Cl{sup {minus}}/SO{sub 4}{sup 2{minus}} < 10), thiosulfate concentrations were also typically lower than 2 {micro}mol/L. However, in some chloride springs enriched with sulfate (Cl{sup {minus}}/SO{sub 4}{sup 2{minus}} between 10 and 25), thiosulfate was found at concentrations ranging from 9 to 95 {micro}mol/L, higher than the concentrations of dissolved sulfide in these waters. Polythionate was detected only in Cinder Pool, Norris Geyser basin, at concentrations up to 8 {micro}mol/L, with an average S-chain-length from 4.1 to 4.9 sulfur atoms. The results indicate that no thiosulfate occurs in the deeper parts of the hydrothermal system. Thiosulfate may form, however, from (1) hydrolysis of native sulfur by hydrothermal solutions in the shallower parts (<50 m) of the system, (2) oxidation of dissolved sulfide upon mixing of a deep hydrothermal water with aerated shallow groundwater, and (3) the oxidation of dissolved sulfide by dissolved oxygen upon discharge of the hot spring. Upon discharge of a sulfide-containing hydrothermal water, oxidation proceeds rapidly as atmospheric oxygen enters the water. The transfer of oxygen is particularly effective if the

  6. Medical geochemistry of tropical environments

    NASA Astrophysics Data System (ADS)

    Dissanayake, C. B.; Chandrajith, Rohana

    1999-10-01

    Geochemically, tropical environments are unique. This uniqueness stems from the fact that these terrains are continuously subjected to extreme rainfall and drought with resulting strong geochemical fractionation of elements. This characteristic geochemical partitioning results in either severe depletion of elements or accumulation to toxic levels. In both these situations, the effect on plant, animal and human health is marked. Medical geochemistry involves the study of the relationships between the geochemistry of the environment in which we live and the health of the population living in this particular domain. Interestingly, the relationships between geochemistry and health are most marked in the tropical countries, which coincidentally are among the poorest in the world. The very heavy dependence on the immediate environment for sustainable living in these lands enables the medical geochemist to observe correlations between particular geochemical provinces and the incidence of certain diseases unique to these terrains. The aetiology of diseases such as dental and skeletal fluorosis, iodine deficiency disorders, diseases of humans and animals caused by mineral imbalances among others, lie clearly in the geochemical environment. The study of the chemistry of the soils, water and stream sediments in relation to the incidence of geographically distributed diseases in the tropics has not only opened up new frontiers in multidisciplinary research, but has offered new challenges to the medical profession to seriously focus attention on the emerging field of medical geochemistry with the collaboration of geochemists and epidemiologists.

  7. Dynamics of deeply supercooled interfacial water.

    PubMed

    Swenson, Jan; Cerveny, Silvina

    2015-01-28

    In this review we discuss the relaxation dynamics of glassy and deeply supercooled water in different types of systems. We compare the dynamics of such interfacial water in ordinary aqueous solutions, hard confinements and biological soft materials. In all these types of systems the dielectric relaxation time of the main water process exhibits a dynamic crossover from a high-temperature non-Arrhenius temperature dependence to a low-temperature Arrhenius behavior. Moreover, at large enough water content the low-temperature process is universal and exhibits the same temperature behavior in all types of systems. However, the physical nature of the dynamic crossover is somewhat different for the different types of systems. In ordinary aqueous solutions it is not even a proper dynamic crossover, since the water relaxation decouples from the cooperative α-relaxation of the solution slightly above the glass transition in the same way as all secondary (β) relaxations of glass-forming materials. In hard confinements, the physical origin of the dynamic crossover is not fully clear, but it seems to occur when the cooperative main relaxation of water at high temperatures reaches a temperature where the volume required for its cooperative motion exceeds the size of the geometrically-confined water cluster. Due to this confinement effect the α-like main relaxation of the confined water seems to transform to a more local β-relaxation with decreasing temperature. Since this low-temperature β-relaxation is universal for all systems at high water content it is possible that it can be considered as an intrinsic β-relaxation of supercooled water, including supercooled bulk water. This possibility, together with other findings for deeply supercooled interfacial water, suggests that the most accepted relaxation scenarios for supercooled bulk water have to be altered.

  8. Geochemistry driven trends in microbial diversity and function across a temperature transect of a shallow water hydrothermal system off Milos (Greece)

    NASA Astrophysics Data System (ADS)

    Bühring, Solveig I.; Amend, Jan P.; Gómez Sáez, Gonzalo V.; Häusler, Stefan; Hinrichs, Kai-Uwe; Pichler, Thomas; Pop Ristova, Petra; Price, Roy E.; Santi, Ioulia; Sollich, Miriam

    2014-05-01

    The shallow water hydrothermal vents off Milos Island, Greece, discharge hot, slightly acidic, reduced fluids into colder, slightly alkaline, oxygenated seawater. Gradients in temperature, pH, and geochemistry are established as the two fluids mix, leading to the formation of various microbial microniches. In contrast to deep-sea hydrothermal systems, the availability of sun light allows for a combination of photo- and chemotrophic carbon fixation. Despite the comparably easy accessibility of shallow water hydrothermal systems, little is known about their microbial diversity and functioning. We present data from a shallow hydrothermal system off Milos Island, one of the most hydrothermally active regions in the Mediterranean Sea. The physico-chemical changes from ambient seafloor to hydrothermal area were investigated and documented by in situ microsensor profiling of temperature, pH, total reduced sulfur and dissolved oxygen alongside porewater geochemistry. The spatial microbial diversity was determined using a combination of gene- and lipid-based approaches, whereas microbial functioning was assessed by stable isotope probing experiments targeting lipid biomarkers. In situ microprofiles indicated an extreme environment with steep gradients, offering a variety of microniches for metabolically diverse microbial communities. We sampled a transect along a hydrothermal patch, following an increase in sediment surface temperature from background to 90°C, including five sampling points up to 20 cm sediment depth. Investigation of the bacterial diversity using ARISA revealed differences in the community structure along the geochemical gradients, with the least similarity between the ambient and highly hydrothermally impacted sites. Furthermore, using multivariate statistical analyses it was shown that variations in the community structure could be attributed to differences in the sediment geochemistry and especially the sulfide content, and only indirectly to shifts in

  9. Subseabed Disposal Project annual report, FY85 to termination of project: Physical Oceanography and Water Column Geochemistry Studies, October 1984 through May 1986

    SciTech Connect

    Kupferman, S.L.

    1987-05-01

    This report covers the work of the Physical Oceanography and Water Column Geochemistry (POWCG) Studies Group of the Subseabed Disposal Project (SDP) from October 1984 to termination of the project in May 1986. The overview of the work includes an introduction, general descriptions of the activities, and a summary. Detailed discussions are included as appendices. During the period of this report the POWCG Studies Group held a meeting to develop a long-term research plan for the Nares Abyssal Plain, which was recently designated as a study area for the Environmental Study Group of the SDP. The POWCG Studies Group has also planned and participated in two interdisciplinary oceanographic missions to the Nares which have resulted in the acquisition of data and samples which can be used to begin to understand the workings of the ecosystem at the site, and for developing a preliminary site assessment. The papers in the appendices have been processed for inclusion in the Energy Data Base.

  10. Dynamical conductivity of confined water

    NASA Astrophysics Data System (ADS)

    Artemov, V. G.

    2017-01-01

    The electrodynamic response of water confined in nanoporous MCM-41 is measured in the frequency range 1 MHz-3 THz at room temperature. The results are analyzed in the context of a recently proposed ionic model of water. We found an increase in dc-conductivity of confined water by 3 orders of magnitude (3.3 · 10-3 Ω-1 · m-1) compared to bulk water (5.5 · 10-6 Ω-1 · m-1). This is attributed to the increase of H3O+ and OH- ion mobility, due to a decrease of the effective potential amplitude by walls of the confining environment. We found that the absorption in the microwave frequency range is much smaller in the medium with confined water than in the bulk water, and the quadratic dependence of the conductivity (σ) on frequency (ω) becomes less steep and tends to σ ~ ω. The results are of fundamental importance and can be used for understanding of the proton transport in systems with water in the nanoconfined state.

  11. Estancia Basin dynamic water budget.

    SciTech Connect

    Thomas, Richard P.

    2004-09-01

    The Estancia Basin lies about 30 miles to the east of Albuquerque, NM. It is a closed basin in terms of surface water and is somewhat isolated in terms of groundwater. Historically, the primary natural outlet for both surface water and groundwater has been evaporation from the salt lakes in the southeastern portion of the basin. There are no significant watercourses that flow into this basin and groundwater recharge is minimal. During the 20th Century, agriculture grew to become the major user of groundwater in the basin. Significant declines in groundwater levels have accompanied this agricultural use. Domestic and municipal use of the basin groundwater is increasing as Albuquerque population continues to spill eastward into the basin, but this use is projected to be less than 1% of agricultural use well into the 21st Century. This Water Budget model keeps track of the water balance within the basin. The model considers the amount of water entering the basin and leaving the basin. Since there is no significant surface water component within this basin, the balance of water in the groundwater aquifer constitutes the primary component of this balance. Inflow is based on assumptions for recharge made by earlier researchers. Outflow from the basin is the summation of the depletion from all basin water uses. The model user can control future water use within the basin via slider bars that set values for population growth, water system per-capita use, agricultural acreage, and the types of agricultural diversion. The user can also adjust recharge and natural discharge within the limits of uncertainty for those parameters. The model runs for 100 years beginning in 1940 and ending in 2040. During the first 55 years model results can be compared to historical data and estimates of groundwater use. The last 45 years are predictive. The model was calibrated to match to New Mexico Office of State Engineer (NMOSE) estimates of aquifer storage during the historical period by

  12. Water dynamics in rigid ionomer networks

    NASA Astrophysics Data System (ADS)

    Osti, N. C.; Etampawala, T. N.; Shrestha, U. M.; Aryal, D.; Tyagi, M.; Diallo, S. O.; Mamontov, E.; Cornelius, C. J.; Perahia, D.

    2016-12-01

    The dynamics of water within ionic polymer networks formed by sulfonated poly(phenylene) (SPP), as revealed by quasi-elastic neutron scattering (QENS), is presented. These polymers are distinguished from other ionic macromolecules by their rigidity and therefore in their network structure. QENS measurements as a function of temperature as the fraction of ionic groups and humidity were varied have shown that the polymer molecules are immobile while absorbed water molecules remain dynamic. The water molecules occupy multiple sites, either bound or loosely constrained, and bounce between the two. With increasing temperature and hydration levels, the system becomes more dynamic. Water molecules remain mobile even at subzero temperatures, illustrating the applicability of the SPP membrane for selective transport over a broad temperature range.

  13. Improved water table dynamics in MODFLOW.

    PubMed

    Clemo, Tom

    2005-01-01

    The standard formulation of a block-centered finite-difference model, such as MODFLOW, uses the center of the cell as the location of a cell node. Simulations of a dynamic water table can be improved if the node of a cell containing the water table is located at the water table rather than at the center of the cell. The LPF package of MOD-FLOW-2000 was changed to position a cell's node at the water table in convertible cells with a water table. Improved accuracy in the upper regions of an unconfined aquifer is demonstrated for pumping from a partially penetrating well. The change introduces a nonlinearity into the solution of the flow equations that results in slightly slower convergence of the flow solution, 7% slower in the presented demonstration. Accuracy of simulations is improved where vertical flow is dominated by a moving water table, but not when a large water table gradient dominates over the water table movement.

  14. Water dynamics near solutes and surfaces

    NASA Astrophysics Data System (ADS)

    Moilanen, David Emil

    The hydrogen bonding structure and dynamics of water are fundamentally important in a wide range of chemical, biological, geological, and industrial systems. Infrared spectroscopy of the OD stretch of dilute HOD in H2 O provides a sensitive probe of the hydrogen bonding network of water. Water forms a nominally tetrahedral hydrogen bonding network as a liquid but rapid hydrogen bond switching events lead to fast water reorientation. A mechanism for water reorientation that involves large amplitude angular jumps has recently been proposed to describe the long time orientational dynamics. At short times, water molecules quickly sample a restricted range of angular space within an intact hydrogen bonding configuration. The amplitude of this inertial reorientation depends on the strength of the local hydrogen bonding network. When hydrogen bonds are stronger, the water is restricted to a smaller angular range about the hydrogen bond axis. Weaker hydrogen bonds allow larger angular excursions. A simple model for the angular hydrogen bond potential energy surface is presented based on the experimental data. Water is rarely found as a pure liquid in real systems. Often it is in contact with a surface and its dynamics are modified near the surface. Reverse micelles formed using the surfactant Aerosol-OT (AOT), water, and isooctane, as well as AOT lamellar structures provide well-defined, tunable model systems to study the dynamics of water interacting with an interface. Reverse micelles are spherical water pools with radii that can be varied from less than one nanometer up to tens of nanometers. Lamellar structures are surfactant bilayers separated by thin sheets of water ranging in thickness from approximately one nanometer up to four nanometers. In large reverse micelles and lamellar structures, the confined water can be separated into two components, a core of bulk-like water and a shell of interfacial water. Polarization selective pump-probe spectroscopy of the OD

  15. Fluid dynamics: How water explodes

    NASA Astrophysics Data System (ADS)

    Allen, Susan Davis

    2016-10-01

    Micro-explosions triggered by the absorption of X-ray laser light in drops and jets of water result in shock waves and in rapid heating and expansion of the liquid -- as now revealed in state-of-the-art experiments.

  16. Thermodynamics and dynamics of supercooled water

    NASA Astrophysics Data System (ADS)

    Mazza, Marco G.

    This thesis employs methods of statistical mechanics and numerical simulations to study some aspects of the thermodynamic and dynamic behavior of liquid water. As liquid water is cooled down into the supercooled state, some regions of the sample show correlated molecular motion. Previously, only the translational motion has been the object of investigation. Given the importance of orientational dynamics for water, a question that naturally arises is whether the rotational molecular motion also shows heterogeneous dynamics. We show that the most rotationally mobile molecules tend to form clusters, "rotational heterogeneities", and we study their dependence upon observation time and temperature. Further, we show evidence that molecules belonging to dynamic heterogeneities are involved in bifurcated bonds. Since the presence of dynamic heterogeneities is increasingly important as the temperature is lowered, one would expect a signature of this phenomenon in dynamical quantities. We study the effect of dynamic heterogeneities on the origin of the breakdown of the Stokes--- Einstein and Stokes---Einstein---Debye relations for water. These relations link the diffusivity to temperature and viscosity. We study the separation of time scales of dynamic heterogeneities and the diffusive regime. We also consider different sets of mobility, slowest and fastest, for both translational and rotational heterogeneities. A long-standing problem in biology is the seemingly universal loss of biological activity of all biomolecules, a phenomenon termed the "protein glass transition". We explore the connection between the hypothesized liquid-liquid phase transition of water, and the protein glass transition. We find that the protein glass transition coincides with the crossing of the Widom line of hydration water. Many different scenarios have been proposed to rationalize water's thermodynamic anomalies. We study a tell model for water using the Wolff' cluster algorithm, which permits

  17. Geochemistry of and radioactivity in ground water of the Highland Rim and Central Basin aquifer systems, Hickman and Maury counties, Tennessee

    USGS Publications Warehouse

    Hileman, G.E.; Lee, R.W.

    1993-01-01

    A reconnaissance of the geochemistry of and radioactivity in ground water from the Highland Rim and Central Basin aquifer systems in Hickman and Maury Counties, Tennessee, was conducted in 1989. Water in both aquifer systems typically is of the calcium or calcium magnesium bicarbonate type, but concentrations of calcium, magnesium, sodium, potassium, chloride, and sulfate are greater in water of the Central Basin system; differences in the concentrations are statistically significant. Dissolution of calcite, magnesium-calcite, dolomite, and gypsum are the primary geochemical processes controlling ground-water chemistry in both aquifer systems. Saturation-state calculations using the computer code WATEQF indicated that ground water from the Central Basin system is more saturated with respect to calcite, dolomite, and gypsum than water from the Highland Rim system. Geochemical environments within each aquifer system are somewhat different with respect to dissolution of magnesium-bearing minerals. Water samples from the Highland Rim system had a fairly constant calcium to magnesium molar ratio, implying congruent dissolution of magnesium-bearing minerals, whereas water samples from the Central Basin system had highly variable ratios, implying either incongruent dissolution or heterogeneity in soluble constituents of the aquifer matrix. Concentrations of radionuclides in water were low and not greatly different between aquifer systems. Median gross alpha activities were 0.54 picocuries per liter in water from each system; median gross beta activities were 1.1 and 2.3 picocuries per liter in water from the Highland Rim and Central Basin systems, respectively. Radon-222 concentrations were 559 and 422 picocuries per liter, respectively. Concentrations of gross alpha and radium in all samples were substantially less than Tennessee?s maximum permissible levels for community water-supply systems. The data indicated no relations between concentrations of dissolved

  18. Temporal changes in microbial ecology and geochemistry in produced water from hydraulically fractured Marcellus shale gas wells.

    PubMed

    Cluff, Maryam A; Hartsock, Angela; MacRae, Jean D; Carter, Kimberly; Mouser, Paula J

    2014-06-03

    Microorganisms play several important roles in unconventional gas recovery, from biodegradation of hydrocarbons to souring of wells and corrosion of equipment. During and after the hydraulic fracturing process, microorganisms are subjected to harsh physicochemical conditions within the kilometer-deep hydrocarbon-bearing shale, including high pressures, elevated temperatures, exposure to chemical additives and biocides, and brine-level salinities. A portion of the injected fluid returns to the surface and may be reused in other fracturing operations, a process that can enrich for certain taxa. This study tracked microbial community dynamics using pyrotag sequencing of 16S rRNA genes in water samples from three hydraulically fractured Marcellus shale wells in Pennsylvania, USA over a 328-day period. There was a reduction in microbial richness and diversity after fracturing, with the lowest diversity at 49 days. Thirty-one taxa dominated injected, flowback, and produced water communities, which took on distinct signatures as injected carbon and electron acceptors were attenuated within the shale. The majority (>90%) of the community in flowback and produced fluids was related to halotolerant bacteria associated with fermentation, hydrocarbon oxidation, and sulfur-cycling metabolisms, including heterotrophic genera Halolactibacillus, Vibrio, Marinobacter, Halanaerobium, and Halomonas, and autotrophs belonging to Arcobacter. Sequences related to halotolerant methanogenic genera Methanohalophilus and Methanolobus were detected at low abundance (<2%) in produced waters several months after hydraulic fracturing. Five taxa were strong indicators of later produced fluids. These results provide insight into the temporal trajectory of subsurface microbial communities after "fracking" and have important implications for the enrichment of microbes potentially detrimental to well infrastructure and natural gas fouling during this process.

  19. Geochemistry, Comparative Analysis, and Physical and Chemical Characteristics of the Thermal Waters East of Hot Springs National Park, Arkansas, 2006-09

    USGS Publications Warehouse

    Kresse, Timothy M.; Hays, Phillip D.

    2009-01-01

    rock collapse for uncased wells completed in highly fractured rock. However, the propagation of newly formed large fractures that potentially could damage well structures or result in pirating of water from production wells appears to be of limited possibility based on review of relevant studies. Characteristics of hydraulic conductivity, storage, and fracture porosity were interpreted from flow rates observed in individual wells completed in the Bigfork Chert and Stanley Shale; from hydrographs produced from continuous measurements of water levels in wells completed in the Arkansas Novaculite, the Bigfork Chert, and Stanley Shale; and from a potentiometric-surface map constructed using water levels in wells throughout the study area. Data gathered from these three separate exercises showed that fracture porosity is much greater in the Bigfork Chert relative to that in the Stanley Shale, shallow groundwater flows from elevated recharge areas with exposures of Bigfork Chert along and into streams within the valleys formed on exposures of the Stanley Shale, and there was no evidence of interbasin transfer of groundwater within the shallow flow system. Fifteen shallow wells and two cold-water springs were sampled from the various exposed formations in the study area to characterize the water quality and geochemistry for the shallow groundwater system and for comparison to the geochemistry of the hot springs in Hot Springs National Park. For the quartz formations (novaculite, chert, and sandstone formations), total dissolved solids concentrations were very low with a median concentration of 23 milligrams per liter, whereas the median concentration for groundwater from the shale formations was 184 milligrams per liter. Ten hot springs in Hot Springs National Park were sampled for the study. Several chemical constituents for the hot springs, including pH, total dissolved solids, major cations and anions, and trace metals, show similarity with the shale formations

  20. The Dynamic Surface Tension of Water.

    PubMed

    Hauner, Ines M; Deblais, Antoine; Beattie, James K; Kellay, Hamid; Bonn, Daniel

    2017-03-23

    The surface tension of water is an important parameter for many biological or industrial processes, and roughly a factor of 3 higher than that of nonpolar liquids such as oils, which is usually attributed to hydrogen bonding and dipolar interactions. Here we show by studying the formation of water drops that the surface tension of a freshly created water surface is even higher (∼90 mN m(-1)) than under equilibrium conditions (∼72 mN m(-1)) with a relaxation process occurring on a long time scale (∼1 ms). Dynamic adsorption effects of protons or hydroxides may be at the origin of this dynamic surface tension. However, changing the pH does not significantly change the dynamic surface tension. It also seems unlikely that hydrogen bonding or dipole orientation effects play any role at the relatively long time scale probed in the experiments.

  1. The Dynamic Surface Tension of Water

    PubMed Central

    2017-01-01

    The surface tension of water is an important parameter for many biological or industrial processes, and roughly a factor of 3 higher than that of nonpolar liquids such as oils, which is usually attributed to hydrogen bonding and dipolar interactions. Here we show by studying the formation of water drops that the surface tension of a freshly created water surface is even higher (∼90 mN m–1) than under equilibrium conditions (∼72 mN m–1) with a relaxation process occurring on a long time scale (∼1 ms). Dynamic adsorption effects of protons or hydroxides may be at the origin of this dynamic surface tension. However, changing the pH does not significantly change the dynamic surface tension. It also seems unlikely that hydrogen bonding or dipole orientation effects play any role at the relatively long time scale probed in the experiments.

  2. Microbial Sulfur Geochemistry in Mine Systems (Invited)

    NASA Astrophysics Data System (ADS)

    Warren, L. A.; Norlund, K. L.; Hitchcock, A.

    2010-12-01

    Acid mine drainage (AMD), metal laden, acidic water, is the most pressing mining environmental issue on a global scale. While it is well recognized that the activity of autotrophic Fe and S bacteria amplify the oxidation of the sulfidic wastes, thereby generating acidity and leaching metals; the underlying microbial geochemistry is not well described. This talk will highlight results revealing the importance of microbial cooperation associated with a novel sulfur-metabolizing consortium enriched from mine waters. Results generated by an integrated approach, combining field characterization, geochemical experimentation, scanning transmission X-ray microscopy (STXM), and fluorescence in situ hybridization (FISH) [1]describing the underlying ecological drivers, the functionally relevant biogeochemical architecture of the consortial macrostructure as well as the identities of this environmental sulphur redox cycling consortium will be presented. The two common mine bacterial strains involved in this consortium, Acidithiobacillus ferroxidans and Acidiphilium sp., are specifically spatially segregated within a macrostructure (pod) of extracellular polymeric substance (EPS) that enables coupled sulphur oxidation and reduction reactions despite bulk, oxygenated conditions. Identical pod formation by type culture strains was induced and linked to ecological conditions. The proposed sulphur geochemistry associated with this bacterial consortium produces 40-90% less acid than expected based on abiotic AMD models, with implications for both AMD mitigation and AMD carbon flux modeling. We are currently investigating the implications of these sulphur-processing pods for metal dynamics in mine systems. These results demonstrate how microbes can orchestrate their geochemical environment to facilitate metabolism, and underscore the need to consider microbial interactions and ecology in constraining their geochemical impacts. [1] Norlund, Southam, Tyliszcczak, Hu, Karunakaran, Obst

  3. Aquifer geochemistry and effects of pumping on ground-water quality at the Green Belt Parkway Well Field, Holbrook, Long Island, New York

    USGS Publications Warehouse

    Brown, Craig J.; Colabufo, Steven; Coates, John D.

    2002-01-01

    Geochemistry, microbiology, and water quality of the Magothy aquifer at a new supply well in Holbrook were studied to help identify factors that contribute to iron-related biofouling of public-supply wells. The organic carbon content of borehole sediments from the screen zone, and the dominant terminal electron-accepting processes (TEAPs), varied by depth. TEAP assays of core sediments indicated that iron reduction, sulfate reduction, and undetermined (possibly oxic) reactions and microbial activity are correlated with organic carbon (lignite) content. The quality of water from this well, therefore, reflects the wide range of aquifer microenvironments at this site.High concentrations of dissolved iron (3.6 to 6.4 micromoles per liter) in water samples from this well indicate that some water is derived from Fe(III)-reducing sediments within the aquifer, but traces of dissolved oxygen indicate inflow of shallow, oxygenated water from shallow units that overlie the local confining units. Water-quality monitoring before and during a 2-day pumping test indicates that continuous pumping from the Magothy aquifer at this site can induce downward flow of shallow, oxygenated water despite the locally confined conditions. Average concentrations of dissolved oxygen are high (5.2 milligrams per liter, or mg/L) in the overlying upper glacial aquifer and at the top of the Magothy aquifer (4.3 mg/L), and low ( < 0.1 mg/L) in the deeper, anaerobic part of the Magothy; average concentrations of phosphate are high (0.4 mg/L) in the upper glacial aquifer and lower (0.008 mg/L) at the top of the Magothy aquifer and in the deeper part of the Magothy (0.013 mg/L). Concentrations of both constituents increased during the 2 days of pumping. The δ34S of sulfate in shallow ground water from observation wells (3.8 to 6.4 per mil) was much heavier than that in the supplywell water (-0.1 per mil) and was used to help identify sources of water entering the supply well. The δ34S of sulfate in a

  4. Aquifer geochemistry and effects of pumping on ground-water quality at the Green Belt Parkway Well Field, Holbrook, Long Island, New York

    USGS Publications Warehouse

    Brown, Craig J.; Colabufo, Steven; Coates, John D.

    2002-01-01

    Geochemistry, microbiology, and water quality of the Magothy aquifer at a new supply well in Holbrook were studied to help identify factors that contribute to iron-related biofouling of public-supply wells. The organic carbon content of borehole sediments from the screen zone, and the dominant terminal electron-accepting processes (TEAPs), varied by depth. TEAP assays of core sediments indicated that iron reduction, sulfate reduction, and undetermined (possibly oxic) reactions and microbial activity are correlated with organic carbon (lignite) content. The quality of water from this well, therefore, reflects the wide range of aquifer microenvironments at this site. High concentrations of dissolved iron (3.6 to 6.4 micromoles per liter) in water samples from this well indicate that some water is derived from Fe(III)-reducing sediments within the aquifer, but traces of dissolved oxygen indicate inflow of shallow, oxygenated water from shallow units that overlie the local confining units. Water-quality monitoring before and during a 2-day pumping test indicates that continuous pumping from the Magothy aquifer at this site can induce downward flow of shallow, oxygenated water despite the locally confined conditions. Average concentrations of dissolved oxygen are high (5.2 milligrams per liter, or mg/L) in the overlying upper glacial aquifer and at the top of the Magothy aquifer (4.3 mg/L), and low (<0.1 mg/L) in the deeper, anaerobic part of the Magothy; average concentrations of phosphate are high (0.4 mg/L) in the upper glacial aquifer and lower (0.008 mg/L) at the top of the Magothy aquifer and in the deeper part of the Magothy (0.013 mg/L). Concentrations of both constituents increased during the 2 days of pumping. The d34S of sulfate in shallow ground water from observation wells (3.8 to 6.4 per mil) was much heavier than that in the supplywell water (-0.1 per mil) and was used to help identify sources of water entering the supply well. The d34S of sulfate in a

  5. ISOGENIE: Linking geochemistry, isotopic chemistry and microbial dynamics & community composition in a thawing permafrost peatland, Stordalen Mire, Abisco, Sweden.

    NASA Astrophysics Data System (ADS)

    Chanton, J.; Crill, P. M.; Rich, V.; McCalley, C. K.; Hodgkins, S. B.; Tyson, G.; Logan, T.; Wehr, R.; Mondav, R.; Li, C.; Frolking, S.; Saleska, S. R.

    2011-12-01

    As permafrost thaws, increasing CH4 emissions from northern wetlands are likely to cause positive feedback to atmospheric warming. One of the over-arching goals of this project is to connect geochemical processes, particularly focusing on methane production, to underlying microbial population dynamics and genomics. Recent transformative technical advances in both high throughput investigations of microbial communities and high temporal resolution biogeochemical isotope measurements now permit a uniquely comprehensive approach to opening the microbial "black boxes" that impact carbon cycling on global scales. This project links detailed microbial sampling with detailed geochemical and isotopic sampling on seasonal and diel timescales and has an extensive modeling component. Gas exchange is monitored across the wetland gradients in a series of automated chambers and isotopes of emitted and belowground methane and carbon dioxide are measured with a QC laser system. The mire is in a state of partial thaw. With this thaw is an apparent ecological session in wetland community structure and associated changes in organic matter lability, rates of methane production and microbial community. Our group's study sites range from palsa with underlying permanently frozen peat, to recently collapsed and flooded palsa, to flooded palsa colonized by Sphagnum, to flooded eriophorum sites, to sites populated by Carex, to open water lakes. Across this environmental gradient pH ranges from 4 to 6.5. This change is driven by changes in hydrology as the surface of the thawing permafrost subsides and an adjacent lake drains into the mire. Along this environmental gradient, from palsa to Carex, the lability of the peat increases significantly as determined in incubations of peat material and monitoring of methane and carbon dioxide production rates. Coincident with this environmental gradient is a decrease in the apparent fractionation factor between methane and carbon dioxide and methane

  6. Water dynamics in glass ionomer cements

    NASA Astrophysics Data System (ADS)

    Berg, M. C.; Jacobsen, J.; Momsen, N. C. R.; Benetti, A. R.; Telling, M. T. F.; Seydel, T.; Bordallo, H. N.

    2016-07-01

    Glass ionomer cements (GIC) are an alternative for preventive dentistry. However, these dental cements are complex systems where important motions related to the different states of the hydrogen atoms evolve in a confined porous structure. In this paper, we studied the water dynamics of two different liquids used to prepare either conventional or resin-modified glass ionomer cement. By combining thermal analysis with neutron scattering data we were able to relate the water structure in the liquids to the materials properties.

  7. Water dynamics at neutral and ionic interfaces.

    PubMed

    Fenn, Emily E; Wong, Daryl B; Fayer, M D

    2009-09-08

    The orientational dynamics of water at a neutral surfactant reverse micelle interface are measured with ultrafast infrared spectroscopy of the hydroxyl stretch, and the results are compared to orientational relaxation of water interacting with an ionic interface. The comparison provides insights into the influence of a neutral vs. ionic interface on hydrogen bond dynamics. Measurements are made and analyzed for large nonionic surfactant Igepal CO-520reverse micelles (water nanopool with a 9-nm diameter). The results are compared with those from a previous study of reverse micelles of the same size formed with the ionic surfactant Aerosol-OT (AOT). The results demonstrate that the orientational relaxation times for interfacial water molecules in the two types of reverse micelles are very similar (13 ps for Igepal and 18 ps for AOT) and are significantly slower than that of bulk water (2.6 ps). The comparison of water orientational relaxation at neutral and ionic interfaces shows that the presence of an interface plays the dominant role in determining the hydrogen bond dynamics, whereas the chemical nature of the interface plays a secondary role.

  8. Dynamic ionization of water under extreme conditions

    SciTech Connect

    Goncharov, A F; Goldman, N; Fried, L E; Crowhurst, J C; Kuo, I W; Mundy, C J; Zaug, J M

    2004-07-19

    Raman spectroscopy has been used to study fluid water at approximately 1000 K and 2 to 60 GPa in a laser heated diamond anvil cell. First principles molecular dynamics (MD) simulations have also been employed to simulate water under similar conditions. The experimental Raman intensity of the O-H stretch mode was observed to decrease with pressure, and beyond 50 GPa this mode was no longer visible. At approximately the same pressure we inferred a change in the slope of the melting curve. Consistent with these experimental observations, the MD simulations show that water under these conditions forms a dynamically ionized liquid state, which is dominated by very short lived (<10 fs) H{sub 2}O, H{sub 3}O{sup +} and O{sup 2-} species.

  9. Geochemistry and origin of formation waters in the western Canada sedimentary basin-I. Stable isotopes of hydrogen and oxygen

    USGS Publications Warehouse

    Hitchon, B.; Friedman, I.

    1969-01-01

    Stable isotopes of hydrogen and oxygen, together with chemical analyses, were determined for 20 surface waters, 8 shallow potable formation waters, and 79 formation waters from oil fields and gas fields. The observed isotope ratios can be explained by mixing of surface water and diagenetically modified sea water, accompanied by a process which enriches the heavy oxygen isotope. Mass balances for deuterium and total dissolved solids in the western Canada sedimentary basin demonstrate that the present distribution of deuterium in formation waters of the basin can be derived through mixing of the diagenetically modified sea water with not more than 2.9 times as much fresh water at the same latitude, and that the movement of fresh water through the basin has redistributed the dissolved solids of the modified sea water into the observed salinity variations. Statistical analysis of the isotope data indicates that although exchange of deuterium between water and hydrogen sulphide takes place within the basin, the effect is minimized because of an insignificant mass of hydrogen sulphide compared to the mass of formation water. Conversely, exchange of oxygen isotopes between water and carbonate minerals causes a major oxygen-18 enrichment of formation waters, depending on the relative masses of water and carbonate. Qualitative evidence confirms the isotopic fractionation of deuterium on passage of water through micropores in shales. ?? 1969.

  10. Geochemistry of formation waters from the Wolfcamp and “Cline” shales: Insights into brine origin, reservoir connectivity, and fluid flow in the Permian Basin, USA

    USGS Publications Warehouse

    Engle, Mark A.; Reyes, Francisco R.; Varonka, Matthew S.; Orem, William H.; Lin, Ma; Ianno, Adam J.; Westphal, Tiffani M.; Xu, Pei; Carroll, Kenneth C.

    2016-01-01

    Despite being one of the most important oil producing provinces in the United States, information on basinal hydrogeology and fluid flow in the Permian Basin of Texas and New Mexico is lacking. The source and geochemistry of brines from the basin were investigated (Ordovician- to Guadalupian-age reservoirs) by combining previously published data from conventional reservoirs with geochemical results for 39 new produced water samples, with a focus on those from shales. Salinity of the Ca–Cl-type brines in the basin generally increases with depth reaching a maximum in Devonian (median = 154 g/L) reservoirs, followed by decreases in salinity in the Silurian (median = 77 g/L) and Ordovician (median = 70 g/L) reservoirs. Isotopic data for B, O, H, and Sr and ion chemistry indicate three major types of water. Lower salinity fluids (<70 g/L) of meteoric origin in the middle and upper Permian hydrocarbon reservoirs (1.2–2.5 km depth; Guadalupian and Leonardian age) likely represent meteoric waters that infiltrated through and dissolved halite and anhydrite in the overlying evaporite layer. Saline (>100 g/L), isotopically heavy (O and H) water in Leonardian [Permian] to Pennsylvanian reservoirs (2–3.2 km depth) is evaporated, Late Permian seawater. Water from the Permian Wolfcamp and Pennsylvanian “Cline” shales, which are isotopically similar but lower in salinity and enriched in alkalis, appear to have developed their composition due to post-illitization diffusion into the shales. Samples from the “Cline” shale are further enriched with NH4, Br, I and isotopically light B, sourced from the breakdown of marine kerogen in the unit. Lower salinity waters (<100 g/L) in Devonian and deeper reservoirs (>3 km depth), which plot near the modern local meteoric water line, are distinct from the water in overlying reservoirs. We propose that these deep meteoric waters are part of a newly identified hydrogeologic unit: the Deep Basin Meteoric Aquifer System

  11. Geohydrology, water quality, and nitrogen geochemistry in the saturated and unsaturated zones beneath various land uses, Riverside and San Bernardino counties, California, 1991-93

    USGS Publications Warehouse

    Rees, Terry F.; Bright, D.J.; Fay, R.G.; Christensen, A.H.; Anders, R.B.; Baharie, B.S.; Land, M.T.

    1995-01-01

    The U.S. Geological Survey, in cooperation with the Eastern Municipal Water District, the Metropolitan Water District of Southern California, and the Orange County Water District, has completed a derailed study of the Hemet groundwater basin. The quantity of ground water stored in the basin in August 1992 is estimated to be 327,000 acre-feet. Dissolved-solids concentration ranged from 380 to 700 mg/L (milligrams per liter), except in small areas where the concentration exceeded 1,000 mg/L. Nitrate concentrations exc__*'ded the U.S. Environmental Protection Agency Maximum Contaminant Level (MCL) of 10 mg/L nitrate (its nitrogen) in the southeastern part of the basin, in the Domenigoni Valley area, and beneath a dairy in the Diamond Valley area. Seven sites representing selected land uses-residential, tuff grass irrigated with reclaimed water, citrus grove, irrigated farm, poultry farm, and dairy (two sites)--were selected for detailed study of nitrogen geochemistry in the unsaturated zone. For all land uses, nitrate was the dominant nitrogen species in the unsaturated zone. Although nitrate was seasonally present in the shallow unsaturated zone beneath the residential site, it was absent at moderate depths, suggesting negligible migration of nitrate from the surface at this time. Microbial denitrification probably is occurring in the shallow unsaturated zone. High nitrate concentrations in the deep unsaturated zone (greater than 100 ft) suggest either significantly higher nitrate loading at some time in the past, or lateral movement of nitrate at depth. Nitrate also is seasonally present in the shallow unsaturated zone beneath the reclaimed-water site, and (in contrast with the residential site), nitrate is perennially present in the deeper unsaturated zone. Mictobial identification in the unsaturated zone and in the capillary fringe above the water table decreases, the concentrations of nitrate in pore water to below the MCL before reaching the water table. Pore

  12. Dynamical Transition of Protein-Hydration Water

    NASA Astrophysics Data System (ADS)

    Doster, W.; Busch, S.; Gaspar, A. M.; Appavou, M.-S.; Wuttke, J.; Scheer, H.

    2010-03-01

    Thin layers of water on biomolecular and other nanostructured surfaces can be supercooled to temperatures not accessible with bulk water. Chen et al. [Proc. Natl. Acad. Sci. U.S.A. 103, 9012 (2006)]PNASA60027-842410.1073/pnas.0602474103 suggested that anomalies near 220 K observed by quasielastic neutron scattering can be explained by a hidden critical point of bulk water. Based on more sensitive measurements of water on perdeuterated phycocyanin, using the new neutron backscattering spectrometer SPHERES, and an improved data analysis, we present results that show no sign of such a fragile-to-strong transition. The inflection of the elastic intensity at 220 K has a dynamic origin that is compatible with a calorimetric glass transition at 170 K. The temperature dependence of the relaxation times is highly sensitive to data evaluation; it can be brought into perfect agreement with the results of other techniques, without any anomaly.

  13. Origins of organic geochemistry

    USGS Publications Warehouse

    Kvenvolden, K.A.

    2008-01-01

    When organic geochemistry actually began as a recognized geoscience is a matter of definition and perspective. Constraints on its beginning are placed by the historical development of its parent disciplines, geology and organic chemistry. These disciplines originated independently and developed in parallel, starting in the latter half of the 18th century and flourishing thereafter into the 21st century. Organic geochemistry began sometime between 1860 and 1983; I argue that 1930 is the best year to mark its origin.

  14. Water transport dynamics in trees and stands

    SciTech Connect

    Pallardy, S.G.; Cermak, J.; Ewers, F.W.; Kaufmann, M.R.; Parker, W.C.; Sperry, J.S.

    1995-07-01

    Water transport dynamics in trees and stands of conifers have certain features that are characteristic of this group and are at least rare among angiosperms. Among these features is the xylem transport system that is dependent on tracheids for long-distance water transport. Tracheid-containing xylem is relatively inefficient, a property that can reduce submaximum allowable rates of gas exchange, but tracheids also offer substantial capacity for water storage and high resistance to freezing-induced dysfunction. Thus, they are quite compatible with the typical evergreen habit and long transpiration season of conifers. At the stand level, canopy transpiration in conifers is primarily controlled by stomatal conductance. In contrast, in dense canopies of angio-sperms, particularly those of tropical forests with limited air mixing, stand transpiration is limited by radiation input rather than by stomatal control. Because of their evergreen habit a greater proportion of evapotranspiration in conifer forests is associated with evaporation of water intercepted by the tree crowns. Other features of transport dynamics are characteristic of most conifers, but are not unique to this group. Among these features are typically shallow root systems that often must supply water in winter to replace transpiration needs of evergreen species, common occurrence of mycorrhizae that enhance mineral and water uptake, and drought tolerance adaptations that include elements of both dehydration avoidance (e.g., stomatal closure under water stress, shifts in allocation of dry matter to below-ground sinks) and dehydration tolerance (e.g., capacity for acclimation of photosynthetic apparatus to drought, osmotic adjustment). Transpiration rates from conifer foliage often are lower than those of deciduous angiosperms, probably because of the lower maximum capacity of tracheid-bearing xylem to transport water.

  15. Geohydrology, Geochemistry, and Ground-Water Simulation-Optimization of the Central and West Coast Basins, Los Angeles County, California

    USGS Publications Warehouse

    Reichard, Eric G.; Land, Michael; Crawford, Steven M.; Johnson, Tyler D.; Everett, Rhett; Kulshan, Trayle V.; Ponti, Daniel J.; Halford, Keith L.; Johnson, Theodore A.; Paybins, Katherine S.; Nishikawa, Tracy

    2003-01-01

    Historical ground-water development of the Central and West Coast Basins in Los Angeles County, California through the first half of the 20th century caused large water-level declines and induced seawater intrusion. Because of this, the basins were adjudicated and numerous ground-water management activities were implemented, including increased water spreading, construction of injection barriers, increased delivery of imported water, and increased use of reclaimed water. In order to improve the scientific basis for these water management activities, an extensive data collection program was undertaken, geohydrological and geochemical analyses were conducted, and ground-water flow simulation and optimization models were developed. In this project, extensive hydraulic, geologic, and chemical data were collected from new multiple-well monitoring sites. On the basis of these data and data compiled and collected from existing wells, the regional geohydrologic framework was characterized. For the purposes of modeling, the three-dimensional aquifer system was divided into four aquifer systems?the Recent, Lakewood, Upper San Pedro, and Lower San Pedro aquifer systems. Most pumpage in the two basins is from the Upper San Pedro aquifer system. Assessment of the three-dimensional geochemical data provides insight into the sources of recharge and the movement and age of ground water in the study area. Major-ion data indicate the chemical character of water containing less than 500 mg/L dissolved solids generally grades from calcium-bicarbonate/sulfate to sodium bicarbonate. Sodium-chloride water, high in dissolved solids, is present in wells near the coast. Stable isotopes of oxygen and hydrogen provide information on sources of recharge to the basin, including imported water and water originating in the San Fernando Valley, San Gabriel Valley, and the coastal plain and surrounding hills. Tritium and carbon-14 data provide information on relative ground-water ages. Water with

  16. Interstitial Water Geochemistry and Low Temperature Alteration in Volcaniclastic Sediments from the Amami Sankaku Basin at IODP Site U1438 (Expedition 351)

    NASA Astrophysics Data System (ADS)

    Loudin, L. C.; Yogodzinski, G. M.; Sena, C.; van der Land, C.; Zhang, Z.; Marsaglia, K. M.; Meffre, S.

    2014-12-01

    Interstitial water (IW) geochemistry provides insight into the diagenetic transformation of sediment to rock by component dissolution/alteration and precipitation of new mineral phases as pore-filling cements, as well as providing insight into ion exchange reactions with secondary minerals. At Site U1438, 67 IW samples were collected within a ~950 m section of volcaniclastic sediments. These were analyzed for pH as well as major and trace elements. The corresponding host sediments were mineralogically characterized by XRD and petrographic observations. Three alteration zones are inferred: 1) the upper alteration zone (~0-300 mbsf) characterized by maximum IW concentrations of Si (790.1 μM), Sr (138.5 μM) and Mn (279.5 μM), consistent with volcanic glass and siliceous microfossil dissolution, enhanced reduction of Mn oxides, and carbonate recrystallization. Maximum concentrations in Li and B coupled with the lowest pH (6.7) imply that Li and B are released into the IW due to silicate dissolution and clay desorption. 2) At intermediate depths (~300 to ~550 mbsf) Mg, K, Sr, Si, Mn, Li, and B are at concentration minima, possibly due to growth of authigenic minerals. B and Li minimum concentrations occur at high pH (~9) suggesting that these elements are preferentially removed from high pH waters during the precipitation of clay mineral and zeolite cements in primary and secondary (dissolution) pores. The mineralogy of these phases is confirmed by XRD data, and their pore-filling nature is seen in thin sections of the coarser lithologies. 3) The deep alteration zone (>~550m) is characterized by an increase in B, Li, Sr and Ca. At ~650 mbsf, Ca becomes the dominant cation in solution consistent with either mineral interaction with the IW, or diffusive input from underlying igneous basement (~1400 mbsf).

  17. Dynamic Coupling of Iron, Manganese, and Phosphorus Behavior in Water and Sediment of Shallow Ice-Covered Eutrophic Lakes.

    PubMed

    Schroth, Andrew W; Giles, Courtney D; Isles, Peter D F; Xu, Yaoyang; Perzan, Zachary; Druschel, Gregory K

    2015-08-18

    Decreasing duration and occurrence of northern hemisphere ice cover due to recent climate warming is well-documented; however, biogeochemical dynamics underneath the ice are poorly understood. We couple time-series analyses of water column and sediment water interface (SWI) geochemistry with hydrodynamic data to develop a holistic model of iron (Fe), manganese (Mn), and phosphorus (P) behavior underneath the ice of a shallow eutrophic freshwater bay. During periods of persistent subfreezing temperatures, a highly reactive pool of dissolved and colloidal Fe, Mn, and P develops over time in surface sediments and bottom waters due to reductive dissolution of Fe/Mn(oxy)hydroxides below the SWI. Redox dynamics are driven by benthic O2 consumption, limited air-water exchange of oxygen due to ice cover, and minimal circulation. During thaw events, the concentration, distribution and size partitioning of all species changes, with the highest concentrations of P and "truly dissolved" Fe near the water column surface, and a relatively well-mixed "truly dissolved" Mn and "colloidal" Fe profile due to the influx of geochemically distinct river water and increased circulation. The partitioning and flux of trace metals and phosphorus beneath the ice is dynamic, and heavily influenced by climate-dependent physical processes that vary in both time and space.

  18. Geochemistry of batch-extract waters derived from spoil material collected at the Cordero coal mine, Powder River basin, Wyoming

    USGS Publications Warehouse

    Naftz, D.L.

    1990-01-01

    Batch-mixing experiments to evaluate postmining water quality at the Cordero Mine were conducted by the U.S. Geological Survey during 1984 to 1985. Contact of groundwater from the spoil aquifer with fresh spoil material caused only small changes in major-element concentrations and in pH, unless sulfide oxidation or contact with soluble salts, such as epsomite, occurred. In contrast, large changes in major-element concentration resulted when water from the coal aquifer contacted the spoil material. Only three of seven reaction models considered to explain the water quality changes during the batch-mixing experiments were consistent with the thermodynamic and mineralogical data. The three models used to account for the observed water quality changes derived potassium from potassium feldspar; magnesium from chlorite or epsomite or both; sodium from cation exchange and halite; chloride from halite; silica from potassium feldspar and chlorite; sulfate from gypsum, or epsomite or both, and carbon from carbon dioxide. In general, water quality samples obtained from the batch-mixing experiments using water from the coal aquifer had smaller major-ion concentrations than the actual water quality in the spoil aquifer. These differences can be explained by the limited amount of efflorescent salt dissolution and volume of water used in the experiments. Correction ratios calculated for these experiments may be applied to batch-mixing experiments at other mines in the area, to predict postmining water quality. (USGS)

  19. Photonic water dynamically responsive to external stimuli

    PubMed Central

    Sano, Koki; Kim, Youn Soo; Ishida, Yasuhiro; Ebina, Yasuo; Sasaki, Takayoshi; Hikima, Takaaki; Aida, Takuzo

    2016-01-01

    Fluids that contain ordered nanostructures with periodic distances in the visible-wavelength range, anomalously exhibit structural colours that can be rapidly modulated by external stimuli. Indeed, some fish can dynamically change colour by modulating the periodic distance of crystalline guanine sheets cofacially oriented in their fluid cytoplasm. Here we report that a dilute aqueous colloidal dispersion of negatively charged titanate nanosheets exhibits structural colours. In this ‘photonic water', the nanosheets spontaneously adopt a cofacial geometry with an ultralong periodic distance of up to 675 nm due to a strong electrostatic repulsion. Consequently, the photonic water can even reflect near-infrared light up to 1,750 nm. The structural colour becomes more vivid in a magnetic flux that induces monodomain structural ordering of the colloidal dispersion. The reflective colour of the photonic water can be modulated over the entire visible region in response to appropriate physical or chemical stimuli. PMID:27572806

  20. Photonic water dynamically responsive to external stimuli

    NASA Astrophysics Data System (ADS)

    Sano, Koki; Kim, Youn Soo; Ishida, Yasuhiro; Ebina, Yasuo; Sasaki, Takayoshi; Hikima, Takaaki; Aida, Takuzo

    2016-08-01

    Fluids that contain ordered nanostructures with periodic distances in the visible-wavelength range, anomalously exhibit structural colours that can be rapidly modulated by external stimuli. Indeed, some fish can dynamically change colour by modulating the periodic distance of crystalline guanine sheets cofacially oriented in their fluid cytoplasm. Here we report that a dilute aqueous colloidal dispersion of negatively charged titanate nanosheets exhibits structural colours. In this `photonic water', the nanosheets spontaneously adopt a cofacial geometry with an ultralong periodic distance of up to 675 nm due to a strong electrostatic repulsion. Consequently, the photonic water can even reflect near-infrared light up to 1,750 nm. The structural colour becomes more vivid in a magnetic flux that induces monodomain structural ordering of the colloidal dispersion. The reflective colour of the photonic water can be modulated over the entire visible region in response to appropriate physical or chemical stimuli.

  1. The effect of weathering in the Buyukmelen River basin on the geochemistry of suspended and bed sediments and the hyrogeochemical characteristics of river water, Duzce, Turkey

    NASA Astrophysics Data System (ADS)

    Pehlivan, Rustem

    2010-07-01

    The Buyukmelen River is expected to be a water source that can supply the drinking water needs of Istanbul until 2040. The drinking and utility water needs of Istanbul are to transport water from the Buyukmelen River to Istanbul via pipeline and pump it into the Alibeykoy and Omerli reservoirs when their water levels drop. The Buyukmelen River is located in the province of Duzce in 170 km east of Istanbul and its water basin is approximately 2250 km 2. The Buyukmelen River flows muddy in the rainy season and into the Black Sea. The chemical compositions of natural waters alter due to interaction with geological formations, physical and chemical weathering of various rocks and the effects of mining and agricultural production. A research was conducted at the Buyukmelen River basin to determine the effects of hydrological processes. Therefore, the samples of rocks, soil, stream water, suspended and bed sediment were collected from the Buyukmelen River basin. Geochemical and water chemistry analyses of samples were performed at ALS Chemex laboratories, Canada. The bed sediments contain quartz, calcite, plagioclase, amphibole and clay minerals. The clay minerals in the suspended and bed sediment samples are kaolinite, smectite and illite. The water samples collected from the Aksu, Kucukmelen, Asarsu and Ugursuyu streams and the Buyukmelen River in winter (December 2005) and summer (June 2006) periods are rich in Ca and HCO 3 ions. The ions most abundant in rainfall sample are HCO 3 and Na. The ion compositions of surface waters have increased due to the weathering of limestone, agglomerate and volcanic sandstones, light acidic rainfall, semi-arid Black Sea climate in the Buyukmelen basin. The suspended sediment amount of the Buyukmelen River in the rainy season (December 2005) is 174 mg/l. According to the water contamination regulation of Turkey, the Buyukmelen Rivers belongs to quality class 4 based on Al ion and to quality class 3 based on Fe ion in winter period

  2. Geochemistry of surface-waters in mineralized and non-mineralized areas of the Yukon-Tanana Uplands

    USGS Publications Warehouse

    Wang, B.; Wanty, R.B.; Vohden, J.

    2005-01-01

    The U.S. Geological Survey (USGS) and Alaska Department of Natural Resources (ADNR) are continuing investigations on element mobility in mineralized and non-mineralized areas of the Yukon-Tanana Upland in east-central Alaska. The chemistry of stream water is evaluated in the context of regional bedrock geology and geologic structure. Sampling sites were located in the Big Delta B2 quadrangle, which includes the mineralized areas of the Pogo claim block. The area is typified by steep, subarctic-alpine, boreal forest catchment basins. Samples were collected from catchments that either cross structural features and lithologic contacts, or are underlain by a single lithology. Waters are generally dilute (< 213 mg/L TDS), and are classified as Ca2+ and Mg2+-HCO3- to Ca2+ and Mg2+-SO42- waters. Gneissic lithologies are more SO42- dominated than the intrusive units. The major-ion chemistry of the waters reflects a rock-dominated aqueous system. Trace-element concentrations in water are generally low; however, As and Sb are detected near mineralized areas but in most cases rapidly attenuated downstream and processes other than simple dilution are controlling the concentrations of these trace elements. There is a tendency toward increasing SO42- concentrations downstream in waters both proximal and distal to mineralized areas. More work is necessary to determine what proportion of the increase in SO42- could be derived from the oxidation of sulfide minerals as opposed to water influenced by the underlying gneissic units.

  3. Geochemistry of thermal/mineral waters in the Clear Lake region, California, and implications for hot dry rock geothermal development

    SciTech Connect

    Goff, F.; Adams, A.I.; Trujillo, P.E.; Counce, D.; Mansfield, J.

    1993-02-01

    Thermal/mineral waters of the Clear Lake region are broadly classified as thermal meteoric and connote types based on chemical and isotopic criteria. Ratios of conservative components such as B/Cl are extremely different among all thermal/mineral waters of the Clear Lake region except for clusters of waters emerging from specific areas such as the Wilbur Springs district and the Agricultural Park area south of Mt. Konocti. In contrast, ratios of conservative components in large, homogeneous geothermal reservoirs are constant. Stable isotope values of Clear Lake region waters show a mixing trend between thermal meteoric and connote end-members. The latter end-member has enriched [delta]D as well as enriched d[sup l8]O, very different from typical high-temperature geothermal reservoir waters. Tritium data and modeling of ages indicate most Clear Lake region waters are 500 to > 10,000 yr., although mixing of old and young components is implied by the data. The age of end-member connate water is probably > 10,000 yr. Subsurface equilibration temperature of most thermal/mineral waters of the Clear Lake region is [le] 150[degrees]C based on chemical geothermometers but it is recognized that Clear Lake region waters are not typical geothermal fluids and that they violate rules of application of many geothermometers. The combined data indicate that no large geothermal reservoir underlies the Clear Lake region and that small localized reservoirs have equilibration temperatures [le] 150[degrees]C (except for Sulphur Bank Mine). Hot dry rock technologies are the best way to commercially exploit the known high temperatures existing beneath the Clear Lake region, particularly within the main Clear Lake volcanic field.

  4. Questa Baseline and Pre-Mining Ground-Water Quality Investigation. 25. Summary of Results and Baseline and Pre-Mining Ground-Water Geochemistry, Red River Valley, Taos County, New Mexico, 2001-2005

    USGS Publications Warehouse

    Nordstrom, D. Kirk

    2008-01-01

    -sediment chemistry; geomorphology and its effect on ground-water flow; geophysical studies on depth to ground-water table and depth to bedrock; bedrock fractures and their potential influence on ground-water flow; leaching studies of scars and waste-rock piles; mineralogy and mineral chemistry and their effect on ground-water quality; debris-flow hazards; hydrology and water balance for the Red River Valley; ground-water geochemistry of selected wells undisturbed by mining in the Red River Valley; and quality assurance and quality control of water analyses. Studies aimed specifically at the Straight Creek natural-analog site include electrical surveys; high-resolution seismic survey; age-dating with tritium/helium; water budget; ground-water hydrology and geochemistry; and comparison of mineralogy and lithology to that of the mine site. The highly mineralized and hydrothermally altered volcanic rocks of the Red River Valley contain several percent pyrite in the quartz-sericite-pyrite (QSP) alteration zone, which weather naturally to acid-sulfate surface and ground waters that discharge to the Red River. Weathering of waste-rock piles containing pyrite also contributes acid water that eventually discharges into the Red River. These acid discharges are neutralized by circumneutral-pH, carbonate-buffered surface and ground waters of the Red River. The buffering capacity of the Red River, however, decreases from the town of Red River to the U.S. Geological Survey (USGS) gaging station near Questa. During short, but intense, storm events, the buffering capacity is exceeded and the river becomes acid from the rapid flushing of acidic materials from natural scar areas. The lithology, mineralogy, elevation, and hydrology of the Straight Creek proximal analog site were found to closely approximate those of the mine site with the exception of the mine site?s Sulphur Gulch catchment. Sulphur Gulch contains three subcatchments?upper Sulphur Gulch, Blind Gulch, and Spring Gulc

  5. Changes in acidity and metal geochemistry in soils, groundwater, drain and river water in the Lower Murray River after a severe drought.

    PubMed

    Mosley, Luke M; Fitzpatrick, Rob W; Palmer, David; Leyden, Emily; Shand, Paul

    2014-07-01

    Acid sulfate soils with sulfuric material (pH<4) can have significant impacts on surface water quality and aquatic ecosystems due to low pH and high soluble metal concentrations in runoff and drainage discharges. There has been limited research on the complex geochemical transformations that occur along flow pathways from the soil acidity source to receiving waters. We studied the integrated geochemistry of metals in acid sulfate soils with sulfuric material, groundwater, drain and river water in the Lower Murray River (South Australia) over a 2 year period. The oxidation of an estimated 3500 ha of acid sulfate soils with sulfidic material (pH>4) underlying this former floodplain occurred due to falling river and groundwater levels during the 2006-2010 extreme "millennium" drought. A low pH (<4.5) soil layer was found approximately 1-2.5m below ground level with substantial amounts (up to 0.2 mol H(+)/kg dry weight) of available/soluble acidity and retained acidity in the form of the Fe oxyhydroxy sulfate mineral jarosite. The jarosite appears to be dissolving over time and buffering the sub-surface soil layers at pH≈4. Metal (Fe, Al, Mn) and metalloid (As) lability was greatly increased in the acidic soil layer. Highly acidic and metal rich groundwater (median pH 4.3, Fe, Al, Mn of 0.04-0.52 mmol/L) was observed at the same depths as the acidic soil layers. Nearly all of the dissolved Fe in the groundwater was present as Fe(2+). In the drains, increases in pH and redox potential promoted formation of the Fe oxyhydroxysulfate mineral schwertmannite. This mineral precipitation transferred a portion of the dissolved acidity to the drain sediments. Upon discharge to, and dilution of, the acid drainage in the river, pH neutralisation and rapid oxidation, hydrolysis, and precipitation of solid Al and Fe phases occurred in a localised area. Acidity is persisting (>3 years) following a return to pre-drought water levels.

  6. Regional ground-water flow and geochemistry in the Midwest Basins and Arches aquifer system in parts of Indiana, Ohio, Michigan and Illinois

    USGS Publications Warehouse

    Eberts, Sandra M.; George, Lori L.

    2000-01-01

    This report synthesizes information on the regional ground-water flow and geochemistry in the Midwestern Basins and Arches aquifer system in parts of Indiana, Ohio, Michigan, and Illinois. Aquifers that compose this water-table aquifer system include glacial aquifers and an underlying, areally extensive carbonate-rock aquifer. Water within the aquifers is most commonly a Ca-Mg-HCO3 type or a Ca-Mg-SO4 type. In general, the distribution of hydrochemical facies within the aquifer system is controlled by the mineralogy of the aquifer material, rather than by a chemical evolution of water along general directions of regional ground-water flow.Some ground-water flow systems within the aquifer system provide base flow to streams in response to ground-water recharge events. Other (often deeper) ground-water flow systems respond minimally to variations in ground-water recharge from precipitation and provide a fairly constant supply of water to streams. Streamflow hydrographs and base-flow duration curves were used to estimate such components of base flow in selected streams for long-term steady-state conditions in the aquifer system. Mean sustained ground-water discharge (discharge from fairly stable ground-water flow systems) ranges from 3 to 50 percent of mean ground-water discharge (discharge from all ground-water flow systems) to the selected stream reaches. These percentages indicate that 50 to 97 percent of base flow in the streams within the study area can be attributed to transient ground-water flow systems, which typically have a major component of local-scale flow. Because ground-water flow across the external boundaries of the aquifer system is minimal, such percentages indicate that most ground-water flow in the aquifer system is associated with seasonally transient local flow systems.Results of a ground-water flow model that was calibrated by use of regression methods and that simulates regional flow systems within the aquifer system (approximately 10 percent

  7. Ground-water quality and geochemistry of aquifers associated with coal in the Allegheny and Monongahela formations, southeastern Ohio

    USGS Publications Warehouse

    Razem, A.C.; Sedam, A.C.

    1985-01-01

    Ground water from aquifers associated with coal beds in the Allegheny and Monongahela Formations in southeastern Ohio is predominantly a calcium magnesium bicarbonate type. Sodium bicarbonate type water is less common. Isolated areas of sodium chloride and calcium sulfate types also are present. The water is predominantly very hard, and has a median hardness concentration of 258 milligrams per liter as calcium carbonate and a median dissolved-solids concentration of 436 milligrams per liter. Few wells contain water with dissolved-solids concentrations in excess of 1,000 milligrams per liter. Bicarbonate concentration in ground water was found to be significantly different among coals, whereas concentrations of bicarbonate, hardness, calcium, magnesium, sodium, iron, manganese, and strontium were significantly different between ground water in the Allegheny and Monongahela Formations. Many constituents are significantly correlated, but few correlation coefficients are high. The presence of sulfate or iron is attributed to the kinetic mechanism operating during the oxidation of pyrite. The position along the sulfide or ferrous-iron oxidation pathways controls the reaction products of pyrite found in solution, and the formation of either the sulfate of iron constituents. The availability and rate of diffusion of oxygen in the formations exerts control on the water quality. Discriminant-function analysis correctly classifies 89 percent of the observations into the Allegheny or Monongahela Formations. As a verifications, 39 of 41 observations from another study were correctly classified by formation. The differences in water chemistry between the Allegheny and the Monongahela Formations are gradational and are attributed the oxidation of iron sulfide. The diffusion and availability of oxygen, which controls the chemical reaction, is regulated by the porosity and permeability of the rock with respect to oxygen and the presence or absence of carbonates, which controls the

  8. Geochemistry of dissolved trace elements and heavy metals in the Dan River Drainage (China): distribution, sources, and water quality assessment.

    PubMed

    Meng, Qingpeng; Zhang, Jing; Zhang, Zhaoyu; Wu, Tairan

    2016-04-01

    Dissolved trace elements and heavy metals in the Dan River drainage basin, which is the drinking water source area of South-to-North Water Transfer Project (China), affect large numbers of people and should therefore be carefully monitored. To investigate the distribution, sources, and quality of river water, this study integrating catchment geology and multivariate statistical techniques was carried out in the Dan River drainage from 99 river water samples collected in 2013. The distribution of trace metal concentrations in the Dan River drainage was similar to that in the Danjiangkou Reservoir, indicating that the reservoir was significantly affected by the Dan River drainage. Moreover, our results suggested that As, Sb, Cd, Mn, and Ni were the major pollutants. We revealed extremely high concentrations of As and Sb in the Laoguan River, Cd in the Qingyou River, Mn, Ni, and Cd in the Yinhua River, As and Sb in the Laojun River, and Sb in the Dan River. According to the water quality index, water in the Dan River drainage was suitable for drinking; however, an exposure risk assessment model suggests that As and Sb in the Laojun and Laoguan rivers could pose a high risk to humans in terms of adverse health and potential non-carcinogenic effects.

  9. Application of cluster analysis to the geochemistry zonation of the estuary waters in the Tinto and Odiel rivers (Huelva, Spain).

    PubMed

    Grande, José Antonio; Borrego, José; de la Torre, Maria Luisa; Sáinz, A

    2003-06-01

    The combination of acid water from mines, industrial effluents and sea water plays a determining role in the evolutionary process of the chemical makeup of the water in the estuary of the Tinto and Odiel rivers. This estuary is in the southwest of the Iberian Peninsula and is one of the estuarine systems on the northwest coast of the Gulf of Cádiz. From the statistical treatment of data obtained by analyzing samples of water from this system, which is affected by industrial and mining pollution processes, we can see how the sampling points studied form two large groups depending on whether they receive tidal or fluvial influences. Fluvial input contributes acid water with high concentrations of heavy metal, whereas industrial effluents are responsible for the presence of phosphates, silica and other nutrients. The estuarine system of the Tinto and Odiel Rivers can be divided into three areas--the Tinto estuary, the Odiel estuary and the area of confluence--based on the physical--chemical characteristics of the water.

  10. Water balance dynamics in the Nile Basin

    USGS Publications Warehouse

    Senay, Gabriel B.; Asante, Kwabena; Artan, Guleid A.

    2009-01-01

    Understanding the temporal and spatial dynamics of key water balance components of the Nile River will provide important information for the management of its water resources. This study used satellite-derived rainfall and other key weather variables derived from the Global Data Assimilation System to estimate and map the distribution of rainfall, actual evapotranspiration (ETa), and runoff. Daily water balance components were modelled in a grid-cell environment at 0·1 degree (∼10 km) spatial resolution for 7 years from 2001 through 2007. Annual maps of the key water balance components and derived variables such as runoff and ETa as a percent of rainfall were produced. Generally, the spatial patterns of rainfall and ETa indicate high values in the upstream watersheds (Uganda, southern Sudan, and southwestern Ethiopia) and low values in the downstream watersheds. However, runoff as a percent of rainfall is much higher in the Ethiopian highlands around the Blue Nile subwatershed. The analysis also showed the possible impact of land degradation in the Ethiopian highlands in reducing ETa magnitudes despite the availability of sufficient rainfall. Although the model estimates require field validation for the different subwatersheds, the runoff volume estimate for the Blue Nile subwatershed is within 7·0% of a figure reported from an earlier study. Further research is required for a thorough validation of the results and their integration with ecohydrologic models for better management of water and land resources in the various Nile Basin ecosystems.

  11. Geochemistry of ground water in alluvial basins of Arizona and adjacent parts of Nevada, New Mexico, and California

    USGS Publications Warehouse

    Robertson, Frederick N.

    1991-01-01

    Chemical and isotope analyses of ground water from 28 basins in the Basin and Range physiographic province of Arizona and parts of adjacent States were used to evaluate ground-water quality, determine processes that control ground-water chemistry, provide independent insight into the hydrologic flow system, and develop information transfer. The area is characterized by north- to northwest-trending mountains separated by alluvial basins that form a regional topography of alternating mountains and valleys. On the basis of ground-water divides or zones of minimal basin interconnection, the area was divided into 72 basins, each representing an individual aquifer system. These systems are joined in a dendritic pattern and collectively constitute the major water resource in the region. Geochemical models were developed to identify reactions and mass transfer responsible for the chemical evolution of the ground water. On the basis of mineralogy and chemistry of the two major rock associations of the area, a felsic model and a mafic model were developed to illustrate geologic, climatic, and physiographic effects on ground-water chemistry. Two distinct hydrochemical processes were identified: (1) reactions of meteoric water with minerals and gases in recharge areas and (2) reactions of ground water as it moves down the hydraulic gradient. Reactions occurring in recharge and downgradient areas can be described by a 13-component system. Major reactions are the dissolution and precipitation of calcite and dolomite, the weathering of feldspars and ferromagnesian minerals, the formation of montmorillonite, iron oxyhydroxides, and probably silica, and, in some basins, ion exchange. The geochemical modeling demonstrated that relatively few phases are required to derive the ground-water chemistry; 14 phases-12 mineral and 2 gas-consistently account for the chemical evolution in each basin. The final phases were selected through analysis of X-ray diffraction and fluorescence data

  12. Effects of sediment depositional environment and ground-water flow on the quality and geochemistry of water in aquifers in sediments of Cretaceous age in the coastal plain of South Carolina

    USGS Publications Warehouse

    Speiran, Gary K.; Aucott, Walter R.

    1994-01-01

    The quality and geochemistry of ground water are significantly affected by the depositional environment of aquifer sediments. Cretaceous sediments in the Coastal Plain of South Carolina have been deposited in fluvial, delta-plain, marginal-marine, and marine environments. Depositional environments of sediments within a single aquifer may grade from nonmarine, fluvial, or upper delta plain near the updip limit of the aquifer to transitional, lower delta plain and to marine toward the coast. In nonmarine sediments the major source of inorganic carbon in the water is the decomposition of organic material. The major aqueous geochemical processes are the dissolution and alteration of silicate minerals. Silica makes up a major part of the dissolved constituents in water from these sediments. In transitional and marine sediments the major aqueous geochemical processes are (1) the dissolution of calcium carbonate by hydrolysis and by carbonic acid derived from the decomposition of organic material and (2) the exchange of calcium in solution for sodium on the marine-clay minerals. The clay minerals may also serve as buffers by neutralizing the hydroxyl ion produced by hydrolysis. The effects of incompletely flushed dilute saltwater on water quality increase toward the coast and toward the northeast.

  13. Geochemistry of acid mine drainage from a coal mining area and processes controlling metal attenuation in stream waters, southern Brazil.

    PubMed

    Campaner, Veridiana P; Luiz-Silva, Wanilson; Machado, Wilson

    2014-05-14

    Acid drainage influence on the water and sediment quality was investigated in a coal mining area (southern Brazil). Mine drainage showed pH between 3.2 and 4.6 and elevated concentrations of sulfate, As and metals, of which, Fe, Mn and Zn exceeded the limits for the emission of effluents stated in the Brazilian legislation. Arsenic also exceeded the limit, but only slightly. Groundwater monitoring wells from active mines and tailings piles showed pH interval and chemical concentrations similar to those of mine drainage. However, the river and ground water samples of municipal public water supplies revealed a pH range from 7.2 to 7.5 and low chemical concentrations, although Cd concentration slightly exceeded the limit adopted by Brazilian legislation for groundwater. In general, surface waters showed large pH range (6 to 10.8), and changes caused by acid drainage in the chemical composition of these waters were not very significant. Locally, acid drainage seemed to have dissolved carbonate rocks present in the local stratigraphic sequence, attenuating the dispersion of metals and As. Stream sediments presented anomalies of these elements, which were strongly dependent on the proximity of tailings piles and abandoned mines. We found that precipitation processes in sediments and the dilution of dissolved phases were responsible for the attenuation of the concentrations of the metals and As in the acid drainage and river water mixing zone. In general, a larger influence of mining activities on the chemical composition of the surface waters and sediments was observed when enrichment factors in relation to regional background levels were used.

  14. Geochemistry of surface water in alpine catchments in central Colorado, USA: Resolving host-rock effects at different spatial scales

    USGS Publications Warehouse

    Wanty, R.B.; Verplanck, P.L.; San, Juan C.A.; Church, S.E.; Schmidt, T.S.; Fey, D.L.; deWitt, E.H.; Klein, T.L.

    2009-01-01

    The US Geological Survey is conducting a study of surface-water quality in the Rocky Mountains of central Colorado, an area of approximately 55,000 km2. Using new and existing geologic maps, the more than 200 rock formations represented in the area were arranged into 17 groups based on lithologic similarity. The dominant regional geologic feature affecting water quality in central Colorado is the Colorado mineral belt (CMB), a NE-trending zone hosting many polymetallic vein or replacement deposits, and porphyry Mo deposits, many of which have been mined historically. The influence of the CMB is seen in lower surface-water pH (<5), and higher concentrations of SO42 - (>100 mg/L) and chalcophile metals such as Cu (>10 ??g/L), Zn (>100 ??g/L), and Cd (>1 ??g/L) relative to surface water outside the CMB. Not all streams within the CMB have been affected by mineralization, as there are numerous catchments within the CMB that have no mineralization or alteration exposed at the surface. At the regional-scale, and away from sites affected by mineralization, hydrothermal alteration, or mining, the effects of lithology on water quality can be distinguished using geochemical reaction modeling and principal components analysis. At local scales (100 s of km2), effects of individual rock units on water chemistry are subtle but discernible, as shown by variations in concentrations of major lithophile elements or ratios between them. These results demonstrate the usefulness of regional geochemical sampling of surface waters and process-based interpretations incorporating geologic and geochemical understanding to establish geochemical baselines.

  15. Hydrogeochemical evolution of inland lakes’ water: A study of major element geochemistry in the Wadi El Raiyan depression, Egypt

    PubMed Central

    Mohamed, Essam A.; El-Kammar, Ahmed M.; Yehia, Mohamed M.; Abu Salem, Hend S.

    2015-01-01

    Wadi El Raiyan is a great depression located southwest of Cairo in the Western Desert of Egypt. Lake Qarun, located north of the study area, is a closed basin with a high evaporation rate. The source of water in the lake is agricultural and municipal drainage from the El Faiyum province. In 1973, Wadi El Raiyan was connected with the agricultural wastewater drainage system of the Faiyum province and received water that exceeded the capacity of Lake Qarun. Two hydrogeological regimes have been established in the area: (i) higher cultivated land and (ii) lower Wadi El Raiyan depression lakes. The agricultural drainage water of the cultivated land has been collected in one main drain (El Wadi Drain) and directed toward the Wadi El Raiyan depression, forming two lakes at different elevations (upper and lower). In the summer of 2012, the major chemical components were studied using data from 36 stations distributed over both hydrogeological regimes in addition to one water sample collected from Bahr Youssef, the main source of freshwater for the Faiyum province. Chemical analyses were made collaboratively. The major ion geochemical evolution of the drainage water recharging the El Raiyan depression was examined. Geochemically, the Bahr Youssef sample is considered the starting point in the geochemical evolution of the studied surface water. In the cultivated area, major-ion chemistry is generally influenced by chemical weathering of rocks and minerals that are associated with anthropogenic inputs, as well as diffuse urban and/or agricultural drainage. In the depression lakes, the water chemistry generally exhibits an evaporation-dependent evolutionary trend that is further modified by cation exchange and precipitation of carbonate minerals. PMID:26644942

  16. Hydrogeochemical evolution of inland lakes' water: A study of major element geochemistry in the Wadi El Raiyan depression, Egypt.

    PubMed

    Mohamed, Essam A; El-Kammar, Ahmed M; Yehia, Mohamed M; Abu Salem, Hend S

    2015-11-01

    Wadi El Raiyan is a great depression located southwest of Cairo in the Western Desert of Egypt. Lake Qarun, located north of the study area, is a closed basin with a high evaporation rate. The source of water in the lake is agricultural and municipal drainage from the El Faiyum province. In 1973, Wadi El Raiyan was connected with the agricultural wastewater drainage system of the Faiyum province and received water that exceeded the capacity of Lake Qarun. Two hydrogeological regimes have been established in the area: (i) higher cultivated land and (ii) lower Wadi El Raiyan depression lakes. The agricultural drainage water of the cultivated land has been collected in one main drain (El Wadi Drain) and directed toward the Wadi El Raiyan depression, forming two lakes at different elevations (upper and lower). In the summer of 2012, the major chemical components were studied using data from 36 stations distributed over both hydrogeological regimes in addition to one water sample collected from Bahr Youssef, the main source of freshwater for the Faiyum province. Chemical analyses were made collaboratively. The major ion geochemical evolution of the drainage water recharging the El Raiyan depression was examined. Geochemically, the Bahr Youssef sample is considered the starting point in the geochemical evolution of the studied surface water. In the cultivated area, major-ion chemistry is generally influenced by chemical weathering of rocks and minerals that are associated with anthropogenic inputs, as well as diffuse urban and/or agricultural drainage. In the depression lakes, the water chemistry generally exhibits an evaporation-dependent evolutionary trend that is further modified by cation exchange and precipitation of carbonate minerals.

  17. The geochemistry of water near a surficial organic-rich uranium deposit, northeastern Washington State, U.S.A.

    USGS Publications Warehouse

    Zielinski, R.A.; Otton, J.K.; Wanty, R.B.; Pierson, C.T.

    1987-01-01

    The chemistry of three stream, three spring and six near-surface waters in the vicinity of a Holocene organic-rich uranium deposit is described, with particular emphasis on the chemistry of U. Results characterize the solution behavior of uranium as U-bearing water interacts with relatively undecomposed, surficial organic matter. Of the measured major and trace chemical species, only U is consistently highly enriched (17-318 ppb) relative to reported values for regional waters, or to literature values for waters in largely granitic terrains. R-mode factor analysis of the chemical data suggests that most U is present in a soluble form, but that some U is also associated with fine suspended particulates of clay, organic matter, or hydrous oxides. Calculations that apply thermodynamic data to predict U speciation in solution indicate the relative importance of uranyl carbonate and uranyl phosphate complexes. Analysis of more finely filtered samples (0.05 ??m vs. 0.45 ??m), and direct radiographic observations using fission-track detectors suspended in the waters indicate the presence of some uraniferous particulate matter. Application of existing thermodynamic data for uranous- and uranyl-bearing minerals indicates that all waters are undersaturated with U minerals as long as ambient Eh ??? +0.1 v. If coexisting surface and near-surface waters are sufficiently oxidizing, initial fixation of U in the deposit should be by a mechanism of adsorption. Alternatively, more reducing conditions may prevail in deeper pore waters of the organic-rich host sediments, perhaps leading to direct precipitation or diagenetic formation of U4+ minerals. A 234U 238U alpha activity ratio of 1.08 ?? 0.02 in a spring issuing from a hillslope above the deposit suggests a relatively soluble source of U. In contrast, higher activity ratios of 234U 238U (??? 1.3) in waters in contact with the uraniferous valley-fill sediments suggest differences in the nature of interaction between groundwater

  18. Polarizable water model for Dissipative Particle Dynamics

    NASA Astrophysics Data System (ADS)

    Pivkin, Igor; Peter, Emanuel

    2015-11-01

    Dissipative Particle Dynamics (DPD) is an efficient particle-based method for modeling mesoscopic behavior of fluid systems. DPD forces conserve the momentum resulting in a correct description of hydrodynamic interactions. Polarizability has been introduced into some coarse-grained particle-based simulation methods; however it has not been done with DPD before. We developed a new polarizable coarse-grained water model for DPD, which employs long-range electrostatics and Drude oscillators. In this talk, we will present the model and its applications in simulations of membrane systems, where polarization effects play an essential role.

  19. Geochemistry of pore waters from Shell Oil Company drill holes on the continental slope of the northern Gulf of Mexico

    USGS Publications Warehouse

    Manheim, F. T.; Bischoff, J.L.

    1969-01-01

    Pore waters were analyzed from 6 holes drilled from M.V. "Eureka" as a part of the Shell Oil Co. deeper offshore study. The holes were drilled in water depths of 600-3,000 ft. (approximately 180-550 m) and penetrated up to 1,000 ft. (300 m) of Pliocene-Recent clayey sediments. Salt and anhydrite caprock was encountered in one diapiric structure on the continental slope. Samples from holes drilled near diapiric structures showed systematic increases of pore-water salinity with depth, suggestive of salt diffusion from underlying salt plugs. Anomalous concentrations of K and Br indicate that at least one plug contains late-stage evaporite minerals. Salinities approaching halite saturation were observed. Samples from holes away from diapiric structures showed little change in pore-water chemistry, except for loss of SO4 and other variations attributable to early-stage diagenetic reactions with enclosing sediments. Thus, increased salt concentrations in even shallow sediments from this part of the Gulf appear to provide an indicator of salt masses at depth. ?? 1969.

  20. Radioactivity and geochemistry of selected mineral-spring waters in the Western United States; basic data and multivariate statistical analysis

    USGS Publications Warehouse

    Felmlee, J.K.; Cadigan, R.A.

    1982-01-01

    Multivariate statistical analyses were performed on data from 156 mineral-spring sites in nine Western States to analyze relationships among the various parameters measured in the spring waters. Correlation analysis and R-mode factor analysis indicate that three major factors affect water composition in the spring systems studied: (1) duration of water circulation, (2) depth of water circulation, and (3) partial pressure of carbon dioxide. An examination of factor scores indicates that several types of hydrogeologic systems were sampled. Most of the samples are (1) older water from deeper circulating systems having relatively high salinity, high temperature, and low Eh or (2) younger water from shallower circulating systems having relatively low salinity, low temperature, and high Eh. The rest of the samples are from more complex systems. Any of the systems can have a relatively high or low content of dissolved carbonate species, resulting in a low or high pH, respectively. Uranium concentrations are commonly higher in waters of relatively low temperature and high Eh, and radium concentrations are commonly higher in waters having a relatively high carbonate content (low pH) and, secondarily, relatively high salinity. Water samples were collected and (or) measurements were taken at 156 of the 171 mineral-spring sites visited. Various samples were analyzed for radium, uranium, radon, helium, and radium-228 as well as major ions and numerous trace elements. On-site measurements for physical properties including temperature, specific conductance, pH, Eh, and dissolved oxygen were made. All constituents and properties show a wide range of values. Radium concentrations range from less than 0.01 to 300 picocuries per liter; they average 1.48 picocuries per liter and have an anomaly threshold value of 171 picocuries per liter for the samples studied. Uranium concentrations range from less than 0.01 to 120 micrograms per liter and average 0.26 micrograms per liter; they

  1. Geochemistry of shallow ground water in coastal plain environments in the southeastern United States: Implications for aquifer susceptibility

    USGS Publications Warehouse

    Tesoriero, A.J.; Spruill, T.B.; Eimers, J.L.

    2004-01-01

    Ground-water chemistry data from coastal plain environments have been examined to determine the geochemical conditions and processes that occur in these areas and assess their implications for aquifer susceptibility. Two distinct geochemical environments were studied to represent a range of conditions: an inner coastal plain setting having more well-drained soils and lower organic carbon (C) content and an outer coastal plain environment that has more poorly drained soils and high organic C content. Higher concentrations of most major ions and dissolved inorganic and organic C in the outer coastal plain setting indicate a greater degree of mineral dissolution and organic matter oxidation. Accordingly, outer coastal plain waters are more reducing than inner coastal plain waters. Low dissolved oxygen (O2) and nitrate (NO 3-) concentrations and high iron (Fe) concentrations indicate that ferric iron (Fe (III)) is an important electron acceptor in this setting, while dissolved O2 is the most common terminal electron acceptor in the inner coastal plain setting. The presence of a wide range of redox conditions in the shallow aquifer system examined here underscores the importance of providing a detailed geochemical characterization of ground water when assessing the intrinsic susceptibility of coastal plain settings. The greater prevalence of aerobic conditions in the inner coastal plain setting makes this region more susceptible to contamination by constituents that are more stable under these conditions and is consistent with the significantly (p<0.05) higher concentrations of NO3- found in this setting. Herbicides and their transformation products were frequently detected (36% of wells sampled), however concentrations were typically low (<0.1 ??g/L). Shallow water table depths often found in coastal plain settings may result in an increased risk of the detection of pesticides (e.g., alachlor) that degrade rapidly in the unsaturated zone.

  2. Monitoring water phase dynamics in winter clouds

    NASA Astrophysics Data System (ADS)

    Campos, Edwin F.; Ware, Randolph; Joe, Paul; Hudak, David

    2014-10-01

    This work presents observations of water phase dynamics that demonstrate the theoretical Wegener-Bergeron-Findeisen concepts in mixed-phase winter storms. The work analyzes vertical profiles of air vapor pressure, and equilibrium vapor pressure over liquid water and ice. Based only on the magnitude ranking of these vapor pressures, we identified conditions where liquid droplets and ice particles grow or deplete simultaneously, as well as the conditions where droplets evaporate and ice particles grow by vapor diffusion. The method is applied to ground-based remote-sensing observations during two snowstorms, using two distinct microwave profiling radiometers operating in different climatic regions (North American Central High Plains and Great Lakes). The results are compared with independent microwave radiometer retrievals of vertically integrated liquid water, cloud-base estimates from a co-located ceilometer, reflectivity factor and Doppler velocity observations by nearby vertically pointing radars, and radiometer estimates of liquid water layers aloft. This work thus makes a positive contribution toward monitoring and nowcasting the evolution of supercooled droplets in winter clouds.

  3. THE INTERIOR DYNAMICS OF WATER PLANETS

    SciTech Connect

    Fu, Roger; O'Connell, Richard J.; Sasselov, Dimitar D. E-mail: richard_oconnell@harvard.ed

    2010-01-10

    The ever-expanding catalog of detected super-Earths calls for theoretical studies of their properties in the case of a substantial water layer. This work considers such water planets with a range of masses and water mass fractions (2-5 M{sub Earth}, 0.02%-50% H{sub 2}O). First, we model the thermal and dynamical structure of the near-surface for icy and oceanic surfaces, finding separate regimes where the planet is expected to maintain a subsurface liquid ocean and where it is expected to exhibit ice tectonics. Newly discovered exoplanets may be placed into one of these regimes given estimates of surface temperature, heat flux, and gravity. Second, we construct a parameterized convection model for the underlying ice mantle of higher ice phases, finding that materials released from the silicate-iron core should traverse the ice mantle on the timescale of 0.1 to 100 megayears. We present the dependence of the overturn times of the ice mantle and the planetary radius on total mass and water mass fraction. Finally, we discuss the implications of these internal processes on atmospheric observables.

  4. Dynamical properties of water-methanol solutions

    NASA Astrophysics Data System (ADS)

    Mallamace, Francesco; Corsaro, Carmelo; Mallamace, Domenico; Vasi, Cirino; Vasi, Sebastiano; Stanley, H. Eugene

    2016-02-01

    We study the relaxation times tα in the water-methanol system. We examine new data and data from the literature in the large temperature range 163 < T < 335 K obtained using different experimental techniques and focus on how tα affects the hydrogen bond structure of the system and the hydrophobicity of the alcohol methyl group. We examine the relaxation times at a fixed temperature as a function of the water molar fraction XW and observe two opposite behaviors in their curvature when the system moves from high to low T regimes. This behavior differs from that of an ideal solution in that it has excess values located at different molar fractions (XW = 0.5 for high T and 0.75 in the deep supercooled regime). We analyze the data and find that above a crossover temperature T ˜ 223 K, hydrophobicity plays a significant role and below it the water tetrahedral network dominates. This temperature is coincident with the fragile-to-strong dynamical crossover observed in confined water and supports the liquid-liquid phase transition hypothesis. At the same time, the reported data suggest that this crossover temperature (identified as the Widom line temperature) also depends on the alcohol concentration.

  5. Trace element geochemistry and surface water chemistry of the Bon Air coal, Franklin County, Cumberland Plateau, southeast Tennessee

    USGS Publications Warehouse

    Shaver, S.A.; Hower, J.C.; Eble, C.F.; McLamb, E.D.; Kuers, K.

    2006-01-01

    surface waters, highest levels of most trace elements occur in mine-adit or mine-dump drainage. Effluent flow rates strongly affect both acidity and trace element levels. Adit drainages where flow is only a trickle have the most acidic waters (pH 3.78-4.80) and highest trace element levels (up to two orders of magnitude higher than in non-mine site waters). Nonetheless, nearly all surface waters have low absolute concentrations of trace elements of environmental concern, and all waters sampled meet U.S. EPA primary drinking water standards and aquatic life criteria for all elements analyzed. Secondary drinking water standards are also met for all parameters except Al, pH, Fe, and Mn, but even in extreme cases (mine waters with pH as low as 3.78 and up to 1243 ppb Al, 6280 ppb Fe, and 721 ppb Mn, and non-mine dam-outflow waters with up to 18,400 ppb Fe and 1540 ppb Mn) downslope attenuation is apparently rapid, as down-drainage plateau-base streams show background levels for all these parameters. ?? 2005 Elsevier B.V. All rights reserved.

  6. Geochemistry of Mine Waste and Mill Tailings, Meadow Deposits, Streambed Sediment, and General Hydrology and Water Quality for the Frohner Meadows Area, Upper Lump Gulch, Jefferson County, Montana

    USGS Publications Warehouse

    Klein, Terry L.; Cannon, Michael R.; Fey, David L.

    2004-01-01

    Frohner Meadows, an area of low-topographic gradient subalpine ponds and wetlands in glaciated terrane near the headwaters of Lump Gulch (a tributary of Prickly Pear Creek), is located about 15 miles west of the town of Clancy, Montana, in the Helena National Forest. Mining and ore treatment of lead-zinc-silver veins in granitic rocks of the Boulder batholith over the last 120 years from two sites (Frohner mine and the Nellie Grant mine) has resulted in accumulations of mine waste and mill tailings that have been distributed downslope and downstream by anthropogenic and natural processes. This report presents the results of an investigation of the geochemistry of the wetlands, streams, and unconsolidated-sediment deposits and the hydrology, hydrogeology, and water quality of the area affected by these sources of ore-related metals. Ground water sampled from most shallow wells in the meadow system contained high concentrations of arsenic, exceeding the Montana numeric water-quality standard for human health. Transport of cadmium and zinc in ground water is indicated at one site near Nellie Grant Creek based on water-quality data from one well near the creek. Mill tailings deposited in upper Frohner Meadow contribute large arsenic loads to Frohner Meadows Creek; Nellie Grant Creek contributes large arsenic, cadmium, and zinc loads to upper Frohner Meadows. Concentrations of total-recoverable cadmium, copper, lead, and zinc in most surface-water sites downstream from the Nellie Grant mine area exceeded Montana aquatic-life standards. Nearly all samples of surface water and ground water had neutral to slightly alkaline pH values. Concentrations of arsenic, cadmium, lead, and zinc in streambed sediment in the entire meadow below the mine waste and mill tailings accumulations are highly enriched relative to regional watershed-background concentrations and exceed consensus-based, probable-effects concentrations for streambed sediment at most sites. Cadmium, copper, and

  7. Petrology and geochemistry of Late Holocene felsic magmas from Rungwe volcano (Tanzania), with implications for trachytic Rungwe Pumice eruption dynamics

    NASA Astrophysics Data System (ADS)

    Fontijn, Karen; Elburg, Marlina A.; Nikogosian, Igor K.; van Bergen, Manfred J.; Ernst, Gerald G. J.

    2013-09-01

    Rungwe in southern Tanzania is an active volcanic centre in the East African Rift System, characterised by Plinian-style explosive eruptions of metaluminous to slightly peralkaline trachytic silica-undersaturated magmas during its late Holocene history. Variations in whole-rock major and trace element compositions of erupted products have been investigated, in combination with electron microprobe data for melt inclusions and phenocrysts comprising sanidine, biotite, clinopyroxene, titanomagnetite, ilmenite, haüyne, titanite, apatite and traces of plagioclase and amphibole. Compositional variations largely reflect fractional crystallisation, with a limited influence of magma mixing. Subtle variations in whole-rock composition and mineralogical characteristics between and within deposits, suggest the existence of a chemically zoned trachytic magma chamber beneath Rungwe. For the two most important studied deposits, the Isongole and Rungwe Pumice, co-existing Fe-Ti oxides constrain pre-eruptive temperature to 915-950 °C and oxygen fugacity to NNO + 0.25-NNO + 0.45. For the Rungwe Pumice, melt inclusions suggest that the melt was water-undersaturated (maximum inferred H2O concentration 5.5 wt.%). In the range of the defined pre-eruptive temperatures, this corresponds to melt viscosities as low as 103.3 Pa · s, i.e. significantly lower than magmas that typically generate highly explosive eruptions. Because no microlites formed in the conduit during ascent, which would have strongly increased the effective magma viscosity, the highly explosive nature of the eruptions may be attributable to a crucial role of exsolved CO2 and S phases, and very high ascent rates.

  8. Quantitative Applications of Deep-Sea Raman Spectroscopy: Geochemistry of 1,4- thioxane in sea water

    NASA Astrophysics Data System (ADS)

    Zhang, X.; Hester, K. C.; Walz, P. M.; Peltzer, E. T.; Brewer, P. G.

    2008-12-01

    We have developed quantitative Raman spectroscopic techniques for the novel detection of dissolved species in sea water to determine their fundamental properties. In this example we use a field-deployable Raman system to determine the solubility of 1,4-thioxane (TO) in sea water as 0.65 to 0.63 mol/kg H2O between 4.5°C and 25.0°C (which varies greatly from an earlier report of 2.75 mol/kg H2O), and to assess the conditions under which it may form a hydrate. TO is of unusual environmental interest as a breakdown product of the chemical weapon mustard gas, and thus development of non-contact field- deployable sensing techniques is highly desirable. Raman spectroscopy has typically been considered as only a qualitative technique due to the complexity of the optical path and the substantial changes in components between different instruments. We show here that by self-referencing to the ubiquitous water peaks (the water ν2 mode from 1500 to 1800 cm-1) we can derive quantitative information with a precision of ± 4%, and provide essential new information. The long-term fate of large quantities of chemical weapons disposed of in the ocean some 50 years ago is poorly known. Part of this lacking knowledge can be attributed to the hazards associated with the direct study of these materials leaving ocean scientists vulnerable when sampling in inadequately marked sites. Mustard gas (1,1'-thiobis[2-chloroethane]) represents the largest tonnage of material disposed of until the 1972 London Convention banned such activities. Thus there is strong interest in determining the fate and lifetime of these materials, their decomposition products, and the extent of the affected zones. We have earlier shown that TO forms a hydrate with a help-gas, such as methane or hydrogen sulfide, and that the temperature, pressure and reducing conditions required for hydrate formation commonly occur at known disposal sites. In fact, a mixed TO hydrate is more stable than methane hydrate by almost

  9. Dynamics of nanoconfined water under pressure

    NASA Astrophysics Data System (ADS)

    Diallo, S. O.; Jażdżewska, M.; Palmer, J. C.; Mamontov, E.; Gubbins, K. E.; Śliwińska-Bartkowiak, M.

    2013-08-01

    We report a study of the effects of pressure on the diffusivity of water molecules confined in single-wall carbon nanotubes (SWNT) with average mean pore diameter of ˜16 Å. The measurements were carried out using high-resolution neutron scattering, over the temperature range 220≤T≤260 K, and at two pressure conditions: ambient and elevated pressure. The high pressure data were collected at constant volume on cooling, with P varying from ˜1.92 kbar at temperature T=260 K to ˜1.85 kbar at T=220 K. Analysis of the observed dynamic structure factor S(Q,E) reveals the presence of two relaxation processes, a faster diffusion component (FC) associated with the motion of “caged” or restricted molecules, and a slower component arising from the free water molecules diffusing within the SWNT matrix. While the temperature dependence of the slow relaxation time exhibits a Vogel-Fulcher-Tammann law and is non-Arrhenius in nature, the faster component follows an Arrhenius exponential law at both pressure conditions. The application of pressure remarkably slows down the overall molecular dynamics, in agreement with previous observations, but most notably affects the slow relaxation. The faster relaxation shows marginal or no change with pressure within the experimental conditions.

  10. Geochemistry of waters from springs, wells, and snowpack on and adjacent to Medicine Lake volcano, northern California

    USGS Publications Warehouse

    Mariner, R.H.; Lowenstern, Jacob B.

    1999-01-01

    Chemical analyses of waters from cold springs and wells of the Medicine Lake volcano and surrounding region indicate small chloride anomalies that may be due to water-rock interaction or limited mixing with high-temperature geothermal fluids. The Fall River Springs (FRS) with a combined discharge of approximately 37 m3/s, show a negative correlation between chloride (Cl) and temperature, implying that the Cl is not derived from a high-temperature geothermal fluid. The high discharge from the FRS indicates recharge over a large geographic region. Chemical and isotopic variations in the FRS show that they contain a mixture of three distinct waters. The isotopic composition of recharge on and adjacent to the volcano are estimated from the isotopic composition of snow and precipitation amounts adjusted for evapotranspiration. Enough recharge of the required isotopic composition (-100 parts per thousand ??D) is available from a combination of the Medicine Lake caldera, the Fall River basin and the Long Bell basin to support the slightly warmer components of the FRS (32 m3/s). The cold-dilute part of the FRS (approximately 5 m3/s) may recharge in the Bear Creek basin or at lower elevations in the Fall River basin.

  11. Geochemistry of the Adige River water from the Eastern Alps to the Adriatic Sea (Italy): evidences for distinct hydrological components and water-rock interactions.

    PubMed

    Natali, C; Bianchini, G; Marchina, C; Knöller, K

    2016-06-01

    The Adige River flows from the Eastern Alps to the Adriatic Sea and the understanding of its fluvial dynamics can be improved by geochemical and O-H isotopic investigation. The most negative isotopic compositions are recorded close to the source (δ(18)O between -14.1 and -13.8 ‰, δD between -100.3 and -97.0 ‰), and δD and δ(18)O values generally increase downstream through the upper part (UP, the mountainous sector), stabilizing along the lower part (LP, the alluvial plain) of the river with δ(18)O between -12.4 and -11.8 ‰, δD between -86.9 and -83.7 ‰. The isotopic variations along the stream path (δ(18)O-δD vs distance from the source) depict subparallel distributions for all the investigated periods, with less negative values recorded in winter. Total dissolved solids (TDS) concentration shows the lowest value (<100 mg/l) at the river source, jumping to 310 mg/l at the Rio Ram inflow, then decreasing down to the Isarco River confluence; from here, we observed an increase toward the river mouth, with different values in the distinct sampling periods. The lowest values (140-170 mg/l) were recorded during high discharge in spring, whereas higher TDS values (up to 250 mg/l) were recorded during winter low flow conditions. Extreme TDS values were observed in the estuarine samples (up to 450 mg/l), as result of mixing with seawater. The results allow for the identification of distinct water end-members: glacio-nival component(s) characterized by the most negative isotopic composition and extremely low TDS, a rainfall component characterized by intermediate isotopic and elemental composition and groundwater characterized by the less negative isotopic composition and comparatively higher TDS. An additional component is represented by seawater, which is recorded at the lowest reach of the river during drought periods. These contributions variously mix along the stream path in the distinct hydrological periods, and the presented data are a

  12. Quantifying early 17th century changes in Chesapeake Bay estuarine carbon dynamics from James River, VA oyster geochemistry

    NASA Astrophysics Data System (ADS)

    Grimm, B. L.; Spero, H. J.; Harding, J. M.

    2012-12-01

    The first successful European colonization of North America occurred in 1607 following the arrival of English settlers at Jamestown, Virginia. Within a few decades, land use changes and clear-cutting farming practices dramatically altered the terrestrial landscape and removed the overlying canopy and stabilizing root network of the previously-dominant hardwood forests. The Eastern oyster, Crassostrea virginica, has inhabited the Chesapeake Bay since the end of the last deglaciation. During the start of the Jamestown Colony, an extensive drought (1606-1612) shifted James River salinity zones upriver, expanding the available oyster habitat to the vicinity of Jamestown. This allowed the colonists to collect and eat oysters from areas near the colony down to the river's entry into the bay, and later discard the shells in wells and trash pits that have recently been excavated. The oysters' calcium carbonate shells discovered in these deposits act as multi-year stationary recorders preserving the local environmental chemistry throughout their life until collection. Here we present δ13C, δ18O, and radiocarbon data from historical oyster shell hinge transects that encompass the time period between ~1609 and the early 1700s. Samples include shells from the 1609 Jamestown freshwater well and five additional sites, as well as modern shells collected in 2006. Because shell δ13C and radiocarbon (14C) reflect James River δ13CDIC, it is possible to document carbon source changes during this period of land use change. Our preliminary data suggest a decrease in ambient δ13CDIC of approximately 2‰ between just prior to 1609 conditions and the modern estuary. This is most likely due to an increase in isotopically light organic carbon loading into the river as water moves more rapidly through the terrestrial system. Radiocarbon reservoir ages will also be presented to better constrain carbon flow through the system during this period of disturbance. δ18O measurements from the

  13. Water Channel Facility for Fluid Dynamics Experiments

    NASA Astrophysics Data System (ADS)

    Eslam-Panah, Azar; Sabatino, Daniel

    2016-11-01

    This study presents the design, assembly, and verification process of the circulating water channel constructed by undergraduate students at the Penn State University at Berks. This work was significantly inspired from the closed-loop free-surface water channel at Lafayette College (Sabatino and Maharjan, 2015) and employed for experiments in fluid dynamics. The channel has a 11 ft length, 2.5 ft width, and 2 ft height glass test section with a maximum velocity of 3.3 ft/s. First, the investigation justifies the needs of a water channel in an undergraduate institute and its potential applications in the whole field of engineering. Then, the design procedures applied to find the geometry and material of some elements of the channel, especially the contraction, the test section, the inlet and end tanks, and the pump system are described. The optimization of the contraction design, including the maintenance of uniform exit flow and avoidance of flow separation, is also included. Finally, the discussion concludes by identifying the problems with the undergraduate education through this capstone project and suggesting some new investigations to improve flow quality.

  14. Assessment of the origin and geothermal potential of the thermal waters by hydro-isotope geochemistry: Eskisehir province, Turkey.

    PubMed

    Yuce, Galip; Italiano, Francesco; Yasin, Didem; Taskiran, Lutfi; Gulbay, Ahmet Hilmi

    2017-05-01

    The thermal fluids vented over Eskisehir province have been investigated for their origin and to estimate the geothermal potential of the area. Thermal waters as well as bubbling and dissolved gases were collected and analysed for their chemical and isotopic features. Their isotopic composition varies in the range from -11.5 to -7.7 ‰ for δ(18)O, -84 and -57 ‰ for δ(2)H, and 0-7.2 TU for tritium. The gases (bubbling and dissolved) are mostly N2-dominated with a significant amount of CO2. The helium isotopic ratios are in the range of 0.2-0.66 R/Rac, indicate remarkable mantle-He contribution ranging between 2 and 10 % in the whole study area. Considering the estimated geothermal gradient about three times higher than the normal gradient, and the reservoir temperatures estimated to be between 50 and 100 °C using quartz and chalcedony geothermometers, a circulation model was built where possible mixing with shallow waters cool down the uprising geothermal fluids.

  15. Water conditions and geochemistry in northern Adriatic anoxia-prone areas and response of benthic faunas to oxygen deficiencies

    NASA Astrophysics Data System (ADS)

    Zuschin, Martin; Riedel, Bettina; Stachowitsch, Michael; Cermelj, Branko

    2010-05-01

    One predicted effect of global climate change, specifically global warming, is the increase in the temperatures and stratification of shallow coastal and estuarine systems. This, coupled with ongoing anthropogenic eutrophication, will exacerbate hypoxia and benthic mortalities, significantly damaging these critical marine ecosystems. These phenomena are particularly severe on sublitoral soft-bottoms such as the poorly sorted silty sands at the study site in the northern Adriatic Sea. We deployed a specially developed underwater chamber to artificially induce anoxia in situ. Our Experimental Anoxia Generating Unit (EAGU) is a large plexiglass chamber that combines a digital camera with oxygen/hydrogen sulphide/pH sensors along with flashes and battery packs. The unit can be deployed for up to five days to autonomously generate oxygen crises and quantify both physico-chemical parameters and benthic responses. The system is initially positioned in an "open" configuration (open-sided aluminium frame) over the benthic fauna ("control" experiment). After 24 h the EAGU is switched to its "closed" configuration (plexiglass enclosure) and repositioned over the same assemblage. In this contribution, we focus on the natural oxygen content, temperature and pH of bottom waters during summer, the course of oxygen decrease during our experiments and the onset of H2S development. Oxygen content of the bottom water, a few centimetres above the sediment-water interface, ranges from ~3.5-8 but is mostly between 4-6 ml l-1 during July to September of the study periods (2005 and 2006) and decreases to zero within ~1-3 days after initiation of our experiments. In parallel, H2S starts to develop at the onset of anoxia. Water temperatures at the bottom were stable during experiments and ranged from 18.5°C to 21.4°C, but pH decreased from 8.3 to 8.1 at the beginning to 7.9 to 7.7 at the end of the experiments. Sediment profiling indicates that the diffusive benthic boundary layer is

  16. Hydrogen and oxygen isotope geochemistry of Ascension Island lavas and granites: variation with crystal fractionation and interaction with sea water

    NASA Astrophysics Data System (ADS)

    Sheppard, Simon M. F.; Harris, Chris

    1985-09-01

    Lavas and pyroclastics on Ascension Island contain plutonic blocks that include fluid-inclusion-bearing peralkaline-granite. 18O/16O ratios, F and Cl have been analysed on whole rocks and/or minerals for lavas and granites, and D/H ratios and H2O+ for comenditic obsidians and granites. Whole rock 18O/16O ratios of fresh alkali-basalt, hawaiite, trachyandesite, trachyte and comendite range from 6.0 to 6.9‰ with 18O tending to increase with increase in SiO2. The δ 18O values of the granites are from 0.0 to 0.3‰ depleted in 18O relative to the comendites. Comenditic obsidians have δD= -80±4‰ and H2O+ ˜0.3 wt.% while amphiboles from the granites have δD= -56±2‰ The O-isotope trend of the lavas is consistent with a crystal fractionation model. Fresh igneous rocks with δ 18O values greater than 7‰ involve processes in addition to crystal fractionation of a basaltic magma. The D/H ratios and Cl contents (˜ 3,000 ppm) of the H2O-poor comenditic obsidians represent undegassed primary magmatic values. The H-isotope compositions and low H2O and Cl (167 ppm) contents of the granites are consistent with the major degassing (loss of >90% of initial H2O) of an H2Osaturated magma derived from the interaction of sea (or possibly meteoric) water with the H2O-undersaturated comenditic melt. It is proposed that, associated with caldera subsidence and stoping, water was sucked in around the residual magma before the system had time to be sealed up. The H2O-undersaturated magma consumed this H2O with possibly some minor partial dehydration and dewatering of the hydrated volcanic roof blocks, at a pressure of about 1.5 kb. The granites are the plutonic equivalents of rhyolitic pyroclastics and not directly of the comendites. Granites from oceanic islands may, in general, be a result of generating an H2O-saturated acid melt by such direct or indirect crustal water-magma interaction processes.

  17. Fluid flow and water-rock interaction across the active Nankai Trough subduction zone forearc revealed by boron isotope geochemistry

    NASA Astrophysics Data System (ADS)

    Hüpers, Andre; Kasemann, Simone A.; Kopf, Achim J.; Meixner, Anette; Toki, Tomohiro; Shinjo, Ryuichi; Wheat, C. Geoffrey; You, Chen-Feng

    2016-11-01

    Compositional changes, dehydration reactions and fluid flow in subducted sediments influence seismogenesis and arc magmatism in subduction zones. To identify fluid flow and water-rock interaction processes in the western Nankai Trough subduction zone (SW Japan) we analyzed boron concentration and boron isotope composition (δ11B) of pore fluids sampled across the subduction zone forearc from depths of up to ∼922 m below seafloor during four Integrated Ocean Drilling Program (IODP) Expeditions. The major structural regimes that were sampled by coring include: (1) sedimentary inputs, (2) the frontal thrust zone, (3) the megasplay fault zone, and (4) the forearc basin. From mass balance consideration we find that consumption of boron (B) by ash alteration and desorption of B from the solid phase, mediated by organic matter degradation, produces a net decrease in B concentrations with depth down to ∼120 μM and variable δ11B values in the range of ∼+20‰ and +49‰. Interstitial water in sediments on the incoming oceanic plate are influenced by more efficient mobilization of exchangeable B from the solid phase due to higher temperatures and alteration of the oceanic crust that acts as a sink for 10B. At the tip of the megasplay fault zone, elevated B concentration and B isotopic composition suggest that underthrust coarse-grained slope sediments provide a pathway for fluids out of the upper (<2 km) accretionary prism. Silt and sand layers in the underthrust section of the downgoing plate favor fluid escape in seaward direction from depths equivalent to the temperature range of 60-150 °C. At both locations the δ11B signature evolves during updip migration through re-adsorption. Mass balance considerations suggest a shallower fluid source depth compared to pore fluids sampled previously near the décollement zone along the central portion of the Nankai margin.

  18. Relation of specific conductance in ground water to intersection of flow paths by wells, and associated major ion and nitrate geochemistry, Barton Springs Segment of the Edwards Aquifer, Austin, Texas, 1978-2003

    USGS Publications Warehouse

    Garner, Bradley D.; Mahler, Barbara J.

    2007-01-01

    Understanding of karst flow systems can be complicated by the presence of solution-enlarged conduits, which can transmit large volumes of water through the aquifer rapidly. If the geochemistry at a well can be related to streamflow or spring discharge (springflow), or both, the relations can indicate the presence of recent recharge in water at the well, which in turn might indicate that the well intersects a conduit (and thus a major flow path). Increasing knowledge of the occurrence and distribution of conduits in the aquifer can contribute to better understanding of aquifer framework and function. To that end, 26 wells in the Barton Springs segment of the Edwards aquifer, Austin, Texas, were investigated for potential intersection with conduits; 26 years of arbitrarily timed specific conductance measurements in the wells were compared to streamflow in five creeks that provide recharge to the aquifer and were compared to aquifer flow conditions as indicated by Barton Springs discharge. A nonparametric statistical test (Spearman's rho) was used to divide the 26 wells into four groups on the basis of correlation of specific conductance of well water to streamflow or spring discharge, or both. Potential relations between conduit intersection by wells and ground-water geochemistry were investigated through analysis of historical major ion and nitrate geochemistry for wells in each of the four groups. Specific conductance at nine wells was negatively correlated with both streamflow and spring discharge, or streamflow only. These correlations were interpreted as evidence of an influx of surface-water recharge during periods of high streamflow and the influence at the wells of water from a large, upgradient part of the aquifer; and further interpreted as indicating that four wells intersect major aquifer flow paths and five wells intersect minor aquifer flow paths (short, tributary conduits). Specific conductance at six wells was positively correlated with spring

  19. Statistical analysis of major ion and trace element geochemistry of water, 1986-2006, at seven wells transecting the freshwater/saline-water interface of the Edwards Aquifer, San Antonio, Texas

    USGS Publications Warehouse

    Mahler, Barbara J.

    2008-01-01

    The statistical analyses taken together indicate that the geochemistry at the freshwater-zone wells is more variable than that at the transition-zone wells. The geochemical variability at the freshwater-zone wells might result from dilution of ground water by meteoric water. This is indicated by relatively constant major ion molar ratios; a preponderance of positive correlations between SC, major ions, and trace elements; and a principal components analysis in which the major ions are strongly loaded on the first principal component. Much of the variability at three of the four transition-zone wells might result from the use of different laboratory analytical methods or reporting procedures during the period of sampling. This is reflected by a lack of correlation between SC and major ion concentrations at the transition-zone wells and by a principal components analysis in which the variability is fairly evenly distributed across several principal components. The statistical analyses further indicate that, although the transition-zone wells are less well connected to surficial hydrologic conditions than the freshwater-zone wells, there is some connection but the response time is longer. 

  20. Molecular environmental geochemistry

    NASA Astrophysics Data System (ADS)

    O'Day, Peggy A.

    1999-05-01

    The chemistry, mobility, and bioavailability of contaminant species in the natural environment are controlled by reactions that occur in and among solid, aqueous, and gas phases. These reactions are varied and complex, involving changes in chemical form and mass transfer among inorganic, organic, and biochemical species. The field of molecular environmental geochemistry seeks to apply spectroscopic and microscopic probes to the mechanistic understanding of environmentally relevant chemical processes, particularly those involving contaminants and Earth materials. In general, empirical geochemical models have been shown to lack uniqueness and adequate predictive capability, even in relatively simple systems. Molecular geochemical tools, when coupled with macroscopic measurements, can provide the level of chemical detail required for the credible extrapolation of contaminant reactivity and bioavailability over ranges of temperature, pressure, and composition. This review focuses on recent advances in the understanding of molecular chemistry and reaction mechanisms at mineral surfaces and mineral-fluid interfaces spurred by the application of new spectroscopies and microscopies. These methods, such as synchrotron X-ray absorption and scattering techniques, vibrational and resonance spectroscopies, and scanning probe microscopies, provide direct chemical information that can elucidate molecular mechanisms, including element speciation, ligand coordination and oxidation state, structural arrangement and crystallinity on different scales, and physical morphology and topography of surfaces. Nonvacuum techniques that allow examination of reactions in situ (i.e., with water or fluids present) and in real time provide direct links between molecular structure and reactivity and measurements of kinetic rates or thermodynamic properties. Applications of these diverse probes to laboratory model systems have provided fundamental insight into inorganic and organic reactions at

  1. Geochemistry of urban sediments from small urban areas and potential impact on surface waters: a case study in Northern Portugal

    NASA Astrophysics Data System (ADS)

    Reis, Anabela; Oliveira, Ana Isabel; Pinto, João; Parker, Andrew

    2015-04-01

    Urban sediments are an important source of contaminants in urban catchments with impact on river ecosystems. Surface runoff from impermeable surfaces transfers sediments and associated contaminants to water bodies affecting the quality of both water and sediment compartments. This study aims to evaluate the metal contents in urban sediments (road deposited sediments) in a small sized urban area, located in a rural mountainous region with no significant industrial units, or mining activities in the vicinity, and subsequently have an insight on the potential contribution to the metal loads transported by fluvial sediments in the streams from the surrounding drainage network. The area under investigation locates in the northeast Portugal, in the Trás-os-Montes region (NE Portugal). Vila Real is a rural city, with 52781 inhabitants, and in the urban area there are dispersed parks with forest and gardens; locally and in the surroundings of the city there are agricultural terrains. The industry is concentrated, in general, in the industry park. Major pollutant activities can be considered the agriculture (pollution by sediments, metals and use of fertilizers) and urban activities such as atmospheric deposition, vehicular traffic, residential activities, soil erosion and industrial activities. According to the aim of the study, road deposited sediment samples were collected in urban and periurban areas as well as in public playgrounds and in the industrial area. The samples were decomposed with aqua regia, and the concentrations of As, Cd, Co, Cr, Cu, Fe, Mn, Ni, Pb, Zn and V were obtained by ICP-AES. The total concentrations of As, Cr, Cu, Fe, Mn, Ni, Pb, Zn and V, in road-deposited sediments, indicate relative enrichments in samples collected in the main streets and roads, showing spatial variability. The association of Cu, Pb and Zn is observed in samples collected in the streets with high traffic density and industrial activity; in general, higher relative contents

  2. THz dynamics of nanoconfined water by ultrafast optical spectroscopy

    NASA Astrophysics Data System (ADS)

    Taschin, A.; Bartolini, P.; Torre, R.

    2017-01-01

    We investigated the vibrational dynamics and structural relaxation of water nanoconfined in porous silica samples with a pore size of 4 nm at different levels of hydration and temperature. We used the time-resolved optical Kerr effect (OKE), a spectroscopic technique that enables investigation of ultrafast water dynamics in a wide time (0.1-10 ps) or frequency (10-0.1 THz) window. At low hydration levels corresponding to two complete superficial water layers, no freezing occurs and the water remains mobile at all investigated temperatures. Meanwhile, at full hydration we witness a partial ice formation at about 248 K that coexists with the surface water remaining in the supercooled state. At low hydration, both structural and vibrational dynamics show significant modifications compared to bulk liquid water. This is due to the strong interaction of the water molecules with silica surfaces. Inner water, however, reveals relaxation dynamics very similar to bulk water.

  3. Questa baseline and pre-mining ground-water quality investigation. 14. Interpretation of ground-water geochemistry in catchments other than the Straight Creek catchment, Red River Valley, Taos County, New Mexico, 2002-2003

    USGS Publications Warehouse

    Nordstrom, D. Kirk; McCleskey, R. Blaine; Hunt, Andrew G.; Naus, Cheryl A.

    2005-01-01

    The U.S. Geological Survey, in cooperation with the New Mexico Environment Department, is investigating the pre-mining ground-water chemistry at the Molycorp molybdenum mine in the Red River Valley, New Mexico. The primary approach is to determine the processes controlling ground-water chemistry at an unmined, off-site but proximal analog. The Straight Creek catchment, chosen for this purpose, consists of the same Tertiary-age quartz-sericite-pyrite altered andesite and rhyolitic volcanics as the mine site. Straight Creek is about 5 kilometers east of the eastern boundary of the mine site. Both Straight Creek and the mine site are at approximately the same altitude, face south, and have the same climatic conditions. Thirteen wells in the proximal analog drainage catchment were sampled for ground-water chemistry. Eleven wells were installed for this study and two existing wells at the Advanced Waste-Water Treatment (AWWT) facility were included in this study. Eight wells were sampled outside the Straight Creek catchment: one each in the Hansen, Hottentot, and La Bobita debris fans, four in a well cluster in upper Capulin Canyon (three in alluvial deposits and one in bedrock), and an existing well at the U.S. Forest Service Questa Ranger Station in Red River alluvial deposits. Two surface waters from the Hansen Creek catchment and two from the Hottentot drainage catchment also were sampled for comparison to ground-water compositions. In this report, these samples are evaluated to determine if the geochemical interpretations from the Straight Creek ground-water geochemistry could be extended to other ground waters in the Red River Valley , including the mine site. Total-recoverable major cations and trace metals and dissolved major cations, selected trace metals, anions, alkalinity; and iron-redox species were determined for all surface- and ground-water samples. Rare-earth elements and low-level As, Bi, Mo, Rb, Re, Sb, Se, Te, Th, U, Tl, V, W, Y, and Zr were

  4. Dynamics of Water Confined in Synthetic Saponite Clays

    SciTech Connect

    Prabhudesai, S. A.; Sharma, V. K.; Mitra, S.; Mukhopadhyay, R.; Chakrabarty, D.; Vicente, Miguel A.

    2011-07-15

    The dynamics of water in two synthetic saponite clays (treated by microwave) with different interlayer spacing has been studied using the quasielastic neutron scattering technique. A model in which the molecules undergo random jump diffusion describes the dynamics of water in both clays. The dynamics of water confined in both saponite clays considered here is found to be hindered in comparison to the bulk phase. It is found that diffusivity increases for samples having higher interlayer spacing.

  5. Dynamic interactions between microbubbles in water.

    PubMed

    Vakarelski, Ivan U; Manica, Rogerio; Tang, Xiaosong; O'Shea, Sean J; Stevens, Geoffrey W; Grieser, Franz; Dagastine, Raymond R; Chan, Derek Y C

    2010-06-22

    The interaction between moving bubbles, vapor voids in liquid, can arguably represent the simplest dynamical system in continuum mechanics as only a liquid and its vapor phase are involved. Surprisingly, and perhaps because of the ephemeral nature of bubbles, there has been no direct measurement of the time-dependent force between colliding bubbles which probes the effects of surface deformations and hydrodynamic flow on length scales down to nanometers. Using ultrasonically generated microbubbles (approximately 100 microm size) that have been accurately positioned in an atomic force microscope, we have made direct measurements of the force between two bubbles in water under controlled collision conditions that are similar to Brownian particles in solution. The experimental results together with detailed modeling reveal the nature of hydrodynamic boundary conditions at the air/water interface, the importance of the coupling of hydrodynamic flow, attractive van der Waals-Lifshitz forces, and bubble deformation in determining the conditions and mechanisms that lead to bubble coalescence. The observed behavior differs from intuitions gained from previous studies conducted using rigid particles. These direct force measurements reveal no specific ion effects at high ionic strengths or any special role of thermal fluctuations in film thickness in triggering the onset of bubble coalescence.

  6. Dynamic interactions between microbubbles in water

    PubMed Central

    Vakarelski, Ivan U.; Manica, Rogerio; Tang, Xiaosong; O’Shea, Sean J.; Stevens, Geoffrey W.; Grieser, Franz; Dagastine, Raymond R.; Chan, Derek Y. C.

    2010-01-01

    The interaction between moving bubbles, vapor voids in liquid, can arguably represent the simplest dynamical system in continuum mechanics as only a liquid and its vapor phase are involved. Surprisingly, and perhaps because of the ephemeral nature of bubbles, there has been no direct measurement of the time-dependent force between colliding bubbles which probes the effects of surface deformations and hydrodynamic flow on length scales down to nanometers. Using ultrasonically generated microbubbles (∼100 μm size) that have been accurately positioned in an atomic force microscope, we have made direct measurements of the force between two bubbles in water under controlled collision conditions that are similar to Brownian particles in solution. The experimental results together with detailed modeling reveal the nature of hydrodynamic boundary conditions at the air/water interface, the importance of the coupling of hydrodynamic flow, attractive van der Waals–Lifshitz forces, and bubble deformation in determining the conditions and mechanisms that lead to bubble coalescence. The observed behavior differs from intuitions gained from previous studies conducted using rigid particles. These direct force measurements reveal no specific ion effects at high ionic strengths or any special role of thermal fluctuations in film thickness in triggering the onset of bubble coalescence. PMID:20534552

  7. Geology, ground-water hydrology, geochemistry, and ground-water simulation of the Beaumont and Banning Storage Units, San Gorgonio Pass area, Riverside County, California

    USGS Publications Warehouse

    Rewis, Diane L.; Christensen, Allen H.; Matti, Jonathan; Hevesi, Joseph A.; Nishikawa, Tracy; Martin, Peter

    2006-01-01

    Ground water has been the only source of potable water supply for residential, industrial, and agricultural users in the Beaumont and Banning storage units of the San Gorgonio Pass area, Riverside County, California. Ground-water levels in the Beaumont area have declined as much as 100 feet between the early 1920s and early 2000s, and numerous natural springs have stopped flowing. In 1961, the San Gorgonio Pass Water Agency (SGPWA) entered into a contract with the California State Department of Water Resources to receive 17,300 acre-feet per year of water to be delivered by the California State Water Project (SWP) to supplement natural recharge. Currently (2005), a pipeline is delivering SWP water into the area, and the SGPWA is artificially recharging the ground-water system using recharge ponds located along Little San Gorgonio Creek in Cherry Valley with the SWP water. In addition to artificial recharge, SGPWA is considering the direct delivery of SWP water for the irrigation of local golf courses and for agricultural supply in lieu of ground-water pumpage. To better understand the potential hydrologic effects of different water-management alternatives on ground-water levels and movement in the Beaumont and Banning storage units, existing geohydrologic and geochemical data were compiled, new data from a basin-wide ground-water level and water-quality monitoring network were collected, monitoring wells were installed near the Little San Gorgonio Creek recharge ponds, geohydrologic and geochemical analyses were completed, and a ground-water flow simulation model was developed. The San Gorgonio Pass area was divided into several storage units on the basis of mapped or inferred faults. This study addresses primarily the Beaumont and Banning storage units. The geologic units in the study area were generalized into crystalline basement rocks and sedimentary deposits. The younger sedimentary deposits and the surficial deposits are the main water-bearing deposits in the

  8. Dynamics of water confined in lyotropic liquid crystals: Molecular dynamics simulations of the dynamic structure factor.

    PubMed

    Mantha, Sriteja; Yethiraj, Arun

    2016-02-28

    The properties of water under confinement are of practical and fundamental interest. In this work, we study the properties of water in the self-assembled lyotropic phases of Gemini surfactants with a focus on testing the standard analysis of quasi-elastic neutron scattering (QENS) experiments. In QENS experiments, the dynamic structure factor is measured and fit to models to extract the translational diffusion constant, D(T), and rotational relaxation time, τ(R). We test this procedure by using simulation results for the dynamic structure factor, extracting the dynamic parameters from the fit as is typically done in experiments, and comparing the values to those directly measured in the simulations. We find that the de-coupling approximation, where the intermediate scattering function is assumed to be a product of translational and rotational contributions, is quite accurate. The jump-diffusion and isotropic rotation models, however, are not accurate when the degree of confinement is high. In particular, the exponential approximations for the intermediate scattering function fail for highly confined water and the values of D(T) and τ(R) can differ from the measured value by as much as a factor of two. Other models have more fit parameters, however, and with the range of energies and wave-vectors accessible to QENS, the typical analysis appears to be the best choice. In the most confined lamellar phase, the dynamics are sufficiently slow that QENS does not access a large enough time scale.

  9. Modification of the Semicircular Tube Aquifer Model by Including Water Geochemistry Temperature Constraints to Evaluate Geothermal Potential: An Example From the Clifton Hot Springs, in the Southeastern Quadrant of Arizona

    NASA Astrophysics Data System (ADS)

    Morgan, P.

    2005-12-01

    Lack of young volcanism associated with hot spring where these thermal manifestations are associated with significant topographic relief and young faulting, indicates that the thermal waters may be heated by deep circulation driven primarily by piezometric (natural water table) gradients. If the deep circulation is dominated by fracture control, a useful first order simplification of the flow for thermal modeling is that of a vertical semicircular tube in a homogeneous medium, with the inlet slightly higher than the outlet, and uniform thermal gradient increasing downward (Turcotte and Schubert, Geodynamics, 2nd e., 2001, p. 264). This model may be further constrained using water temperature data derived from water geochemistry data. These data may be used to estimate the maximum temperature to which the water was heated in its passage through the system, which, combined with its outflow temperature may in turn be used to determine a dimensionless flow rate number in terms of the thermal gradient and the parameters of the semicircular tube. This technique has been applied to the Clifton Hot Springs, located adjacent to the San Francisco River, north of the town of Clifton, in Safford County in the southeastern quadrant of Arizona. The springs are in a valley in rugged topography on the southern margin of the Colorado Plateau, providing gravitational gradients driving the flow through the systems, and regionally high heat flow provides a high background geothermal gradient so that relatively high temperatures are encountered by groundwater at relatively shallow penetration depths. The waters exiting the system at 30C to 70C at Clifton Hot Springs are thermal waters mixed with cold ground water, and water geochemistry data indicate that the thermal waters have a maximum reservoir temperature of about 180C. The minimum depth of the reservoir required for heating to 180C is calculated to be about 4.25 km, and flow rate calculations are in good agreement with chloride

  10. Molecular dynamics studies of interfacial water at the alumina surface.

    SciTech Connect

    Argyris, Dr. Dimitrios; Ho, Thomas; Cole, David

    2011-01-01

    Interfacial water properties at the alumina surface were investigated via all-atom equilibrium molecular dynamics simulations at ambient temperature. Al-terminated and OH-terminated alumina surfaces were considered to assess the structural and dynamic behavior of the first few hydration layers in contact with the substrates. Density profiles suggest water layering up to {approx}10 {angstrom} from the solid substrate. Planar density distribution data indicate that water molecules in the first interfacial layer are organized in well-defined patterns dictated by the atomic terminations of the alumina surface. Interfacial water exhibits preferential orientation and delayed dynamics compared to bulk water. Water exhibits bulk-like behavior at distances greater than {approx}10 {angstrom} from the substrate. The formation of an extended hydrogen bond network within the first few hydration layers illustrates the significance of water?water interactions on the structural properties at the interface.

  11. Dynamics of water confined in mesoporous magnesium carbonate

    NASA Astrophysics Data System (ADS)

    Soininen, Antti J.; Appavou, Marie-Sousai; Frykstrand, Sara; Welch, Ken; Khaneft, Marina; Kriele, Armin; Bellissent-Funel, Marie-Claire; Strømme, Maria; Wuttke, Joachim

    2016-12-01

    We have measured the dynamics of water confined in a porous magnesium carbonate material, Upsalite®, using the high-resolution neutron backscattering spectrometer SPHERES. We found quasielastic scattering that does not flatten out up to 360 K, which means that the dynamics of water are much slower than in other matrix materials. Specifically, a single Lorentzian line could be fitted to the quasielastic part of the acquired spectra between 220 and 360 K. This, accompanied by an elastic line from dynamically frozen water present at all experimental temperatures, even above the melting point, signaled a significant amount of bound or slow water.

  12. Method of analysis and quality-assurance practices by the U.S. Geological Survey Organic Geochemistry Research Group; determination of geosmin and methylisoborneol in water using solid-phase microextraction and gas chromatography/mass spectrometry

    USGS Publications Warehouse

    Zimmerman, L.R.; Ziegler, A.C.; Thurman, E.M.

    2002-01-01

    A method for the determination of two common odor-causing compounds in water, geosmin and 2-methylisoborneol, was modified and verified by the U.S. Geological Survey's Organic Geochemistry Research Group in Lawrence, Kansas. The optimized method involves the extraction of odor-causing compounds from filtered water samples using a divinylbenzene-carboxen-polydimethylsiloxane cross-link coated solid-phase microextraction (SPME) fiber. Detection of the compounds is accomplished using capillary-column gas chromatography/mass spectrometry (GC/MS). Precision and accuracy were demonstrated using reagent-water, surface-water, and ground-water samples. The mean accuracies as percentages of the true compound concentrations from water samples spiked at 10 and 35 nanograms per liter ranged from 60 to 123 percent for geosmin and from 90 to 96 percent for 2-methylisoborneol. Method detection limits were 1.9 nanograms per liter for geosmin and 2.0 nanograms per liter for 2-methylisoborneol in 45-milliliter samples. Typically, concentrations of 30 and 10 nanograms per liter of geosmin and 2-methylisoborneol, respectively, can be detected by the general public. The calibration range for the method is equivalent to concentrations from 5 to 100 nanograms per liter without dilution. The method is valuable for acquiring information about the production and fate of these odor-causing compounds in water.

  13. Quantification of Dynamic Water-Rock-Microbe Interactions in a Travertine-Depositing Hot Spring, Mammoth Hot Springs, Yellowstone National Park, USA

    NASA Astrophysics Data System (ADS)

    DeMott, L. M.; Sivaguru, M.; Fried, G.; Sanford, R. A.; Fouke, B. W.

    2014-12-01

    Filamentous microbial mats in a travertine-depositing hot spring at Mammoth Hot Springs in Yellowstone National Park exert primary controls on the growth rate, mineralogy, and crystal fabric of calcium carbonate minerals (travertine) that precipitate in the spring. Filaments directly affect porosity and permeability of travertine by providing a structural framework consisting of "ropes" of microbial cells around which carbonate minerals precipitate, creating a uniquely biogenetic mineral fabric characterized by horizontal layers of large tubular pores. Nanometer scale microscopy reveals that these mineral fabrics may be directly tied to microbial activities, as aragonite crystals precipitating directly on filaments are smaller and more densely packed than crystals precipitating on extra-polymeric substances (EPS) between filaments. In order to more closely examine the processes which control calcium carbonate crystallization dynamics in this system, a high-resolution transect of water and travertine was sampled for geochemistry, microscopy, and microbial biomass along the primary flow path from upstream to downstream of Narrow Gauge spring at Mammoth Hot Springs. Travertine samples were analyzed for petrography using transmitted light, cathodoluminescence, and laser confocal microscopy to examine crystal morphology and associations with microbial filaments and provide insight on pore network distributions. Additionally, travertine and spring water geochemistry was also analyzed for major and trace ions, δ34S, δ13C, and δ18O, to identify any trends that may relate to crystallization rates, microbial biomass, or crystal habit. Total biomass was determined using dried weight. Water-rock-microbe interactions result in upstream-to-downstream variations in travertine crystal morphology and water chemistry that are directly related to systematic changes in microbial biomass and community respiration. Geochemical modeling lends insight into the biogeochemical reactions

  14. From Water Dynamics to Rainfed Landscapes with GRASS GIS

    NASA Astrophysics Data System (ADS)

    Chemin, Yann; van Brakel, Martin; Johnston, Robyn; Curnow, Jayne

    2014-05-01

    Variability in water availability is a key determinant of risk and constraint to productivity in rainfed agricultural systems. Understanding the dynamics of water availability across both spatial and temporal scales is essential to managing water and optimize production. This research proposes to look at both the physical measurement of water availability and water user perceptions of landscapes and water availability. Evapotranspiration makes up about three quarters of the transiting water in a landscape, it is composed of evaporation (water bodies, soil) and transpiration, the vegetation biomass growing quantity. This work will develop a methodology for defining landscapes based on water dynamics to be used at the interface of WLE research. The GRASS GIS Imagery, Landscape and Temporal toolkits form the basis of the methodological development, from evapotranspiration modeling and landscape analysis to spatio-temporal analysis.

  15. STABLE ISOTOPES AS INDICATORS OF SOIL WATER DYNAMICS IN WATERSHEDS

    EPA Science Inventory

    Stream water quality and quantity depend on discharge rates of water and nutrients from soils. However, soil-water storage is very dynamic and strongly influenced by plants. We analyzed stable isotopes of oxygen and hydrogen to quantify spatial and temporal changes in evaporati...

  16. Dynamic operating rules for water supply reservoirs in La Paz.

    PubMed

    Bender, M J; Hranisavljevic, D; Bernardin, R; Bianchi, R

    2002-01-01

    Dynamic operating rules have been applied to the drought-prone Andean water supply reservoirs near La Paz, Bolivia. The water supply reservoirs are not using conventional reservoir operating rule curves. Instead, dynamic operating rules opportunistically supply surplus water for soft demands, and proactively adjust the water supply before a drought causes a water shortage. The conventional approach of forcing water levels to follow a set rule curve is replaced with notions of tradeoffs between long-term reliability and short-term supply opportunities. Operators can customise the dynamic rules based on their tolerance of shortages, and can choose to operate more aggressively during wet periods. In this way, the dynamic rules offer a flexible tool for making short-term decisions while managing medium and long-term performance goals. In the case of La Paz, it is possible to utilise the water sources more efficiently in the short-term without significantly reducing the long-term water supply reliability. The dynamic rules will reduce the severity of future water shortages (if they occur) by 60%, and provide opportunities to increase the firm water supply by up to 8% without affecting the long-term reliability.

  17. Linking Weathering, Rock Moisture Dynamics, Geochemistry, Runoff, Vegetation and Atmospheric Processes through the Critical Zone: Graduate Student led Research at the Eel River Critical Zone Observatory

    NASA Astrophysics Data System (ADS)

    Dietrich, W. E.

    2014-12-01

    In the Eel River Critical Zone Observatory lies Rivendell, a heavily-instrumented steep forested hillslope underlain by nearly vertically dipping argillite interbedded with sandstone. Under this convex hillslope lies "Zb", the transition to fresh bedrock, which varies from less than 6 m below the surface near the channel to 20 m at the divide. Rempe and Dietrich (2014, PNAS) show that the Zb profile can be predicted from the assumption that weathering occurs when drainage is induced in the uplifting fresh bedrock under hillslopes by lateral head gradients driven by channel incision at the hillslope boundary. Infiltrating winter precipitation is impeded at the lower conductivity boundary at Zb, generating perched groundwater that dynamically pulses water laterally to the channel, controlling stream runoff. Below the soil and above the water table lies an unsaturated zone through which all recharge to the perched groundwater (and thus all runoff to channels) occurs. It is this zone and the waters in them that profoundly affect critical zone processes. In our seasonally dry environment, the first rains penetrate past the soil and moisten the underlying weathered bedrock (Salve et al., 2012, WRR). It takes about 200 to 400 mm of cumulative rain, however, before the underlying groundwater rises significantly. Oshun et al (in review) show that by this cumulative rainfall the average of the wide-ranging isotopic signature of rain reaches a nearly constant average annual value. Consequently, the recharging perched groundwater shows only minor temporal isotopic variation. Kim et al, (2014, GCA) find that the winter high-flow groundwater chemistry is controlled by relatively fast-reacting cation exchange processes, likely occurring in transit in the unsaturated zone. Oshun also demonstrates that the Douglas fir rely on this rock moisture as a water source, while the broadleaf trees (oaks and madrone) use mostly soil moisture. Link et al (2014 WRR) show that Doug fir declines

  18. Retardation of Bulk Water Dynamics by Disaccharide Osmolytes.

    PubMed

    Shukla, Nimesh; Pomarico, Enrico; Chen, Lee; Chergui, Majed; Othon, Christina M

    2016-09-08

    The bioprotective nature of disaccharides is hypothesized to derive from the modification of the hydrogen bonding network of water which protects biomolecules through lowered water activity at the protein interface. Using ultrafast fluorescence spectroscopy, we measured the relaxation of bulk water dynamics around the induced dipole moment of two fluorescent probes (Lucifer Yellow Ethylenediamine and Tryptophan). Our results indicate a reduction in bulk water reorganization rate of approximately 30%. We observe this retardation in the low concentration regime measured at 0.1 and 0.25 M, far below the onset of glassy dynamics. This reduction in water activity could be significant in crowded biological systems, contributing to global change in protein energy landscape, resulting in a significant enhancement of protein stability under environmental stress. We observed similar dynamic reduction for two disaccharide osmolytes, sucrose and trehalose, with trehalose being the more effective in reducing solvation dynamics.

  19. Hydrology: The dynamics of Earth's surface water

    NASA Astrophysics Data System (ADS)

    Yamazaki, Dai; Trigg, Mark A.

    2016-12-01

    High-resolution satellite mapping of Earth's surface water during the past 32 years reveals changes in the planet's water systems, including the influence of natural cycles and human activities. See Letter p.418

  20. Fluid dynamics: Water flows out of touch

    NASA Astrophysics Data System (ADS)

    Hof, Björn

    2017-01-01

    Superhydrophobic surfaces reduce the frictional drag between water and solid materials, but this effect is often temporary. The realization of sustained drag reduction has applications for water vehicles and pipeline flows.

  1. Global water dynamics: issues for the 21st century.

    PubMed

    Simonovic, Slobodan P

    2002-01-01

    The WorldWater system dynamics model has been developed for modeling the global world water balance and capturing the dynamic character of the main variables affecting water availability and use in the future. Despite not being a novel approach, system dynamics offers a new way of addressing complex systems. WorldWater simulations are clearly demonstrating the strong feedback relation between water availability and different aspects of world development. Results of numerous simulations are contradictory to the assumption made by many global modelers that water is not an issue on the global scale. Two major observations can be made from early simulations: (a) the use of clean water for dilution and transport of wastewater, if not dealt with in other ways, imposes a major stress on the global world water balance; and (b) water use by different sectors is demonstrating quite different dynamics than predicted by classical forecasting tools and other water-models. Inherent linkages between water quantity and quality sectors with food, industry, persistent pollution, technology, and non-renewable resources sectors of the model create shoot and collapse behavior in water use dynamics. This paper discusses a number of different water-related scenarios and their implications on the global water balance. In particular, two extreme scenarios (business as usual - named "Chaos", and unlimited desalination - named "Ocean") are presented in the paper. Based on the conclusions derived from these two extreme cases a set of more moderate and realistic scenarios (named "Conservation") is proposed and their consequences on the global water balance are evaluated.

  2. From single molecules to water networks: Dynamics of water adsorption on Pt(111)

    NASA Astrophysics Data System (ADS)

    Naderian, Maryam; Groß, Axel

    2016-09-01

    The adsorption dynamics of water on Pt(111) was studied using ab initio molecular dynamics simulations based on density functional theory calculations including dispersion corrections. Sticking probabilities were derived as a function of initial kinetic energy and water coverage. In addition, the energy distribution upon adsorption was monitored in order to analyze the energy dissipation process. We find that on the water pre-covered surface the sticking probability is enhanced because of the attractive water-water interaction and the additional effective energy dissipation channels to the adsorbed water molecules. The water structures forming directly after the adsorption on the pre-covered surfaces do not necessarily correspond to energy minimum structures.

  3. Dynamics of water confined in lyotropic liquid crystals: Molecular dynamics simulations of the dynamic structure factor

    DOE PAGES

    Mantha, Sriteja; Yethiraj, Arun

    2016-02-24

    The properties of water under confinement are of practical and fundamental interest. Here in this work we study the properties of water in the self-assembled lyotropic phases of gemini surfactants with a focus on testing the standard analysis of quasi-elastic neutron scattering (QENS) experiments. In QENS experiments the dynamic structure factor is measured and fit to models to extract the translational diffusion constant, DT , and rotational relaxation time, τR. We test this procedure by using simulation results for the dynamic structure factor, extracting the dynamic parameters from the fit as is typically done in experiments, and comparing the valuesmore » to those directly measured in the simulations. We find that the decoupling approximation, where the intermediate scattering function is assumed to be a product of translational and rotational contributions, is quite accurate. The jump-diffusion and isotropic rotation models, however, are not accurate when the degree of confinement is high. In particular, the exponential approximations for the intermediate scattering function fail for highly confined water and the values of DT and τR can differ from the measured value by as much as a factor of two. Other models have more fit parameters, however, and with the range of energies and wave-vectors accessible to QENS, the typical analysis appears to be the best choice. In the most confined lamellar phase, the dynamics are sufficiently slow that QENS does not access a large enough time scale and neutron spin echo measurements would be a valuable technique in addition to QENS.« less

  4. Dynamics of water confined in lyotropic liquid crystals: Molecular dynamics simulations of the dynamic structure factor

    SciTech Connect

    Mantha, Sriteja; Yethiraj, Arun

    2016-02-24

    The properties of water under confinement are of practical and fundamental interest. Here in this work we study the properties of water in the self-assembled lyotropic phases of gemini surfactants with a focus on testing the standard analysis of quasi-elastic neutron scattering (QENS) experiments. In QENS experiments the dynamic structure factor is measured and fit to models to extract the translational diffusion constant, DT , and rotational relaxation time, τR. We test this procedure by using simulation results for the dynamic structure factor, extracting the dynamic parameters from the fit as is typically done in experiments, and comparing the values to those directly measured in the simulations. We find that the decoupling approximation, where the intermediate scattering function is assumed to be a product of translational and rotational contributions, is quite accurate. The jump-diffusion and isotropic rotation models, however, are not accurate when the degree of confinement is high. In particular, the exponential approximations for the intermediate scattering function fail for highly confined water and the values of DT and τR can differ from the measured value by as much as a factor of two. Other models have more fit parameters, however, and with the range of energies and wave-vectors accessible to QENS, the typical analysis appears to be the best choice. In the most confined lamellar phase, the dynamics are sufficiently slow that QENS does not access a large enough time scale and neutron spin echo measurements would be a valuable technique in addition to QENS.

  5. How does the urea dynamics differ from water dynamics inside the reverse micelle?

    PubMed

    Sengupta, Abhigyan; Khade, Rahul V; Hazra, Partha

    2011-09-29

    In this study, the urea dynamics inside AOT reverse micelle (RM) has been monitored without intervention of water using time-resolved fluorescence techniques from the picosecond to nanosecond time regime. It has been observed that urea dynamics inside the reverse micelle is severely retarded compared to water RM due to the formation of highly networked urea cluster inside the RM. Time-resolved fluorescence anisotropy study also confirms the existence of a confined environment around the dye at higher concentrations of urea inside the reverse micelle. The dynamics of urea-water mixtures inside AOT reverse micelle has also been monitored with increasing urea concentration to get insight about the effect of urea on the overall solvation dynamics feature. It has been observed that with the increase in urea concentration, the overall dynamics becomes slower, and it infers the presence of few water or urea molecules, those strongly associated with surrounding urea and (or) water by hydrogen bonds.

  6. Water dynamics--the effects of ions and nanoconfinement.

    PubMed

    Park, Sungnam; Moilanen, David E; Fayer, M D

    2008-05-01

    Hydrogen bond dynamics of water in highly concentrated NaBr salt solutions and reverse micelles are studied using ultrafast 2D-IR vibrational echo spectroscopy and polarization-selective IR pump-probe experiments performed on the OD hydroxyl stretch of dilute HOD in H(2)O. The vibrational echo experiments measure spectral diffusion, and the pump-probe experiments measure orientational relaxation. Both experimental observables are directly related to the structural dynamics of water's hydrogen bond network. The measurements performed on NaBr solutions as a function of concentration show that the hydrogen bond dynamics slow as the NaBr concentration increases. The most pronounced change is in the longest time scale dynamics which are related to the global rearrangement of the hydrogen bond structure. Complete hydrogen bond network randomization slows by a factor of approximately 3 in approximately 6 M NaBr solution compared to that in bulk water. The hydrogen bond dynamics of water in nanoscopically confined environments are studied by encapsulating water molecules in ionic head group (AOT) and nonionic head group (Igepal CO 520) reverse micelles. Water dynamics in the nanopools of AOT reverse micelles are studied as a function of size by observing orientational relaxation. Orientational relaxation dynamics deviate significantly from bulk water when the size of the reverse micelles is smaller than several nm and become nonexponential and slower as the size of the reverse micelles decreases. In the smallest reverse micelles, orientational relaxation (hydrogen bond structural randomization) is almost 20 times slower than that in bulk water. To determine if the changes in dynamics from bulk water are caused by the influence of the ionic head groups of AOT or the nanoconfinement, the water dynamics in 4 nm nanopools in AOT reverse micelles (ionic) and Igepal reverse micelles (nonionic) are compared. It is found that the water orientational relaxation in the 4 nm diameter

  7. The data of geochemistry

    USGS Publications Warehouse

    Clarke, Frank Wigglesworth

    1924-01-01

    Upon the subject of geochemistry a vast literature exists, but it is widely scattered and portions of it are difficult of access. The general treatises, like the classical works of Bischof and of Koth, are not recent, and great masses of modern data are as yet uncorrelated. The American material alone is singularly rich, but most of it has been accumulated since Roth's treatise was published. The science of chemistry, moreover, has undergone great changes during the last 25 years, and many subjects now appear under new and generally unfamiliar aspects. The methods and principles of physical chemistry are being more and more applied to the solution of geochemical problems,1 as is shown by the well-known researches of Van't Hoff upon the Stassfurt salts and the magmatic studies of Vogt, Doelter, and others. The great work in progress at the geophysical laboratory of the Carnegie Institution is another illustration of the change now taking place in geochemical investigation. To bring some of the data together, to formulate a few of the problems and to present certain general conclusions in their modern form are the purposes of this memoir. It is not an exhaustive monograph upon geochemistry, but rather a critical summary of what is now known, and a guide to the more important literature of the subject. If it does no more than to make existing data available to the reader, its preparation will be justified.

  8. Evaluating Water Conservation and Reuse Policies Using a Dynamic Water Balance Model

    NASA Astrophysics Data System (ADS)

    Qaiser, Kamal; Ahmad, Sajjad; Johnson, Walter; Batista, Jacimaria R.

    2013-02-01

    A dynamic water balance model is created to examine the effects of different water conservation policies and recycled water use on water demand and supply in a region faced with water shortages and significant population growth, the Las Vegas Valley (LVV). The model, developed using system dynamics approach, includes an unusual component of the water system, return flow credits, where credits are accrued for returning treated wastewater to the water supply source. In LVV, Lake Mead serves as, both the drinking water source and the receiving body for treated wastewater. LVV has a consumptive use allocation from Lake Mead but return flow credits allow the water agency to pull out additional water equal to the amount returned as treated wastewater. This backdrop results in a scenario in which conservation may cause a decline in the available water supply. Current water use in LVV is 945 lpcd (250 gpcd), which the water agency aims to reduce to 752 lpcd (199 gpcd) by 2035, mainly through water conservation. Different conservation policies focused on indoor and outdoor water use, along with different population growth scenarios, are modeled for their effects on the water demand and supply. Major contribution of this study is in highlighting the importance of outdoor water conservation and the effectiveness of reducing population growth rate in addressing the future water shortages. The water agency target to decrease consumption, if met completely through outdoor conservation, coupled with lower population growth rate, can potentially satisfy the Valley's water demands through 2035.

  9. Reorientation and Allied Dynamics in Water and Aqueous Solutions

    NASA Astrophysics Data System (ADS)

    Laage, Damien; Stirnemann, Guillaume; Sterpone, Fabio; Rey, Rossend; Hynes, James T.

    2011-05-01

    The reorientation of a water molecule is important for a host of phenomena, ranging over—in an only partial listing—the key dynamic hydrogen-bond network restructuring of water itself, aqueous solution chemical reaction mechanisms and rates, ion transport in aqueous solution and membranes, protein folding, and enzymatic activity. This review focuses on water reorientation and related dynamics in pure water, and for aqueous solutes with hydrophobic, hydrophilic, and amphiphilic character, ranging from tetra-methylurea to halide ions and amino acids. Attention is given to the application of theory, simulation, and experiment in the probing of these dynamics, in usefully describing them, and in assessing the description. Special emphasis is placed on a novel sudden, large-amplitude jump mechanism for water reorientation, which contrasts with the commonly assumed Debye rotational diffusion mechanism, characterized by small-amplitude angular motion. Some open questions and directions for further research are also discussed.

  10. Dynamics of hydration water in protein

    NASA Astrophysics Data System (ADS)

    Bellissent-Funel, M.-C.; Teixeira, J.; Bradley, K. F.; Chen, S. H.

    1992-06-01

    Incoherent quasi-elastic neutron scattering studies of in vivo deuterated C-phycocyanin, at different levels of hydration, have been made. We show that the mobility at high temperature, (sim 300 K) of the water molecules near the protein surface can be described by relatively simple models. At full hydration the high temperature data can be interpreted using a model where each water molecule is diffusing in a confined space of 3 Å in radius. At low hydration, and 298 K, the diffusional behaviour is typical of jump diffusion with a residence time 10 times larger than the one in bulk water at the same temperature.

  11. DOE workshop: Sedimentary systems, aqueous and organic geochemistry

    SciTech Connect

    Not Available

    1993-07-01

    A DOE workshop on sedimentary systems, aqueous and organic geochemistry was held July 15-16, 1993 at Lawrence Berkeley Laboratory. Papers were organized into several sections: Fundamental Properties, containing papers on the thermodynamics of brines, minerals and aqueous electrolyte solutions; Geochemical Transport, covering 3-D imaging of drill core samples, hydrothermal geochemistry, chemical interactions in hydrocarbon reservoirs, fluid flow model application, among others; Rock-Water Interactions, with presentations on stable isotope systematics of fluid/rock interaction, fluid flow and petotectonic evolution, grain boundary transport, sulfur incorporation, tracers in geologic reservoirs, geothermal controls on oil-reservoir evolution, and mineral hydrolysis kinetics; Organic Geochemistry covered new methods for constraining time of hydrocarbon migration, kinetic models of petroleum formation, mudstones in burial diagenesis, compound-specific carbon isotope analysis of petroleums, stability of natural gas, sulfur in sedimentary organic matter, organic geochemistry of deep ocean sediments, direct speciation of metal by optical spectroscopies; and lastly, Sedimentary Systems, covering sequence stratigraphy, seismic reflectors and diagenetic changes in carbonates, geochemistry and origin of regional dolomites, and evidence of large comet or asteroid impacts at extinction boundaries.

  12. Bulk water freezing dynamics on superhydrophobic surfaces

    NASA Astrophysics Data System (ADS)

    Chavan, S.; Carpenter, J.; Nallapaneni, M.; Chen, J. Y.; Miljkovic, N.

    2017-01-01

    In this study, we elucidate the mechanisms governing the heat-transfer mediated, non-thermodynamic limited, freezing delay on non-wetting surfaces for a variety of characteristic length scales, Lc (volume/surface area, 3 mm < Lc < 6 mm) using carefully designed freezing experiments in a temperature-controlled, zero-humidity environment on thin water slabs. To probe the effect of surface wettability, we investigated the total time for room temperature water to completely freeze into ice on superhydrophilic ( θaapp→ 0°), hydrophilic (0° < θa < 90°), hydrophobic (90° < θa < 125°), and superhydrophobic ( θaapp→ 180°) surfaces. Our results show that at macroscopic length scales, heat conduction through the bulk water/ice layer dominates the freezing process when compared to heat conduction through the functional coatings or nanoscale gaps at the superhydrophobic substrate-water/ice interface. In order to verify our findings, and to determine when the surface structure thermal resistance approaches the water/ice resistance, we fabricated and tested the additional substrates coated with commercial superhydrophobic spray coatings, showing a monotonic increase in freezing time with coating thickness. The added thermal resistance of thicker coatings was much larger than that of the nanoscale superhydrophobic features, which reduced the droplet heat transfer and increased the total freezing time. Transient finite element method heat transfer simulations of the water slab freezing process were performed to calculate the overall heat transfer coefficient at the substrate-water/ice interface during freezing, and shown to be in the range of 1-2.5 kW/m2K for these experiments. The results shown here suggest that in order to exploit the heat-transfer mediated freezing delay, thicker superhydrophobic coatings must be deposited on the surface, where the coating resistance is comparable to the bulk water/ice conduction resistance.

  13. More than one dynamic crossover in protein hydration water

    PubMed Central

    Mazza, Marco G.; Stokely, Kevin; Pagnotta, Sara E.; Bruni, Fabio; Stanley, H. Eugene; Franzese, Giancarlo

    2011-01-01

    Studies of liquid water in its supercooled region have helped us better understand the structure and behavior of water. Bulk water freezes at its homogeneous nucleation temperature (approximately 235 K), but protein hydration water avoids this crystallization because each water molecule binds to a protein. Here, we study the dynamics of the hydrogen bond (HB) network of a percolating layer of water molecules and compare the measurements of a hydrated globular protein with the results of a coarse-grained model that successfully reproduces the properties of hydration water. Using dielectric spectroscopy, we measure the temperature dependence of the relaxation time of proton charge fluctuations. These fluctuations are associated with the dynamics of the HB network of water molecules adsorbed on the protein surface. Using Monte Carlo simulations and mean-field calculations, we study the dynamics and thermodynamics of the model. Both experimental and model analyses are consistent with the interesting possibility of two dynamic crossovers, (i) at approximately 252 K and (ii) at approximately 181 K. Because the experiments agree with the model, we can relate the two crossovers to the presence at ambient pressure of two specific heat maxima. The first is caused by fluctuations in the HB formation, and the second, at a lower temperature, is due to the cooperative reordering of the HB network. PMID:22135473

  14. More than one dynamic crossover in protein hydration water.

    PubMed

    Mazza, Marco G; Stokely, Kevin; Pagnotta, Sara E; Bruni, Fabio; Stanley, H Eugene; Franzese, Giancarlo

    2011-12-13

    Studies of liquid water in its supercooled region have helped us better understand the structure and behavior of water. Bulk water freezes at its homogeneous nucleation temperature (approximately 235 K), but protein hydration water avoids this crystallization because each water molecule binds to a protein. Here, we study the dynamics of the hydrogen bond (HB) network of a percolating layer of water molecules and compare the measurements of a hydrated globular protein with the results of a coarse-grained model that successfully reproduces the properties of hydration water. Using dielectric spectroscopy, we measure the temperature dependence of the relaxation time of proton charge fluctuations. These fluctuations are associated with the dynamics of the HB network of water molecules adsorbed on the protein surface. Using Monte Carlo simulations and mean-field calculations, we study the dynamics and thermodynamics of the model. Both experimental and model analyses are consistent with the interesting possibility of two dynamic crossovers, (i) at approximately 252 K and (ii) at approximately 181 K. Because the experiments agree with the model, we can relate the two crossovers to the presence at ambient pressure of two specific heat maxima. The first is caused by fluctuations in the HB formation, and the second, at a lower temperature, is due to the cooperative reordering of the HB network.

  15. Ecohydrology of dry regions: storage versus pulse soil water dynamics

    USGS Publications Warehouse

    Lauenroth, William K.; Schlaepfer, Daniel R.; Bradford, John B.

    2014-01-01

    Although arid and semiarid regions are defined by low precipitation, the seasonal timing of temperature and precipitation can influence net primary production and plant functional type composition. The importance of precipitation seasonality is evident in semiarid areas of the western U.S., which comprise the Intermountain (IM) zone, a region that receives important winter precipitation and is dominated by woody plants and the Great Plains (GP), a region that receives primarily summer precipitation and is dominated by perennial grasses. Although these general relationships are well recognized, specific differences in water cycling between these regions have not been well characterized. We used a daily time step soil water simulation model and twenty sites from each region to analyze differences in soil water dynamics and ecosystem water balance. IM soil water patterns are characterized by storage of water during fall, winter, and spring resulting in relatively reliable available water during spring and early summer, particularly in deep soil layers. By contrast, GP soil water patterns are driven by pulse precipitation events during the warm season, resulting in fluctuating water availability in all soil layers. These contrasting patterns of soil water—storage versus pulse dynamics—explain important differences between the two regions. Notably, the storage dynamics of the IN sites increases water availability in deep soil layers, favoring the deeper rooted woody plants in that region, whereas the pulse dynamics of the Great Plains sites provide water primarily in surface layers, favoring the shallow-rooted grasses in that region. In addition, because water received when plants are either not active or only partially so is more vulnerable to evaporation and sublimation than water delivered during the growing season, IM ecosystems use a smaller fraction of precipitation for transpiration (47%) than GP ecosystems (49%). Recognizing the pulse-storage dichotomy in

  16. Temperature effects on dynamic water absorption into paper.

    PubMed

    Songok, Joel; Salminen, Pekka; Toivakka, Martti

    2014-03-15

    Mechanisms controlling short time water absorption and the effect of temperature on water absorption into paper were investigated by analyzing previously published data. A dynamic contact angle effect caused by contact line friction explained the liquid uptake dynamics at short times. The water absorption rate increase with temperature is suggested to be controlled by the molecular processes occurring in front of the advancing liquid front. The increase in the non-equilibrium vapor pressure at air-liquid interface leads to higher water molecule adsorption onto fibers and associated lowering of the solid-gas interfacial tension, thereby increasing the wetting velocity and water absorption. The classical Lucas-Washburn equation was found to be inadequate for predicting water absorption into paper both at short times and as a function of temperature.

  17. Dynamic Solidification in Nanoconfined Water Films

    DTIC Science & Technology

    2010-06-16

    living organisms [1] and plays a crucial role in macromolecular structure formation. In nanotribology and nanofluidics [2], the behavior of molecularly...implications for nanofluidic systems and dynamics of macromolecular motion in cells. P. M. H. would like to acknowledge funding through the National Science

  18. Relaxational dynamics of water molecules at protein surface

    NASA Astrophysics Data System (ADS)

    Dellerue, S.; Bellissent-Funel, M.-C.

    2000-08-01

    Relaxational dynamics of water molecules at the surface of a C-phycocyanin protein is studied by high resolution quasi-elastic neutron scattering. The neutron quasi-elastic spectra are well described by the α-relaxation process of mode coupling theory of supercooled liquids. The relaxation times of interfacial water exhibit a power law dependence on the wave vector Q. The average diffusion coefficient is 10 times lower than that of bulk water. This confirms that there is a retardation of water molecules at the protein surface which is in good agreement with the results of water at the surface of hydrophilic model systems.

  19. Dynamical Crossover in Hot Dense Water: The Hydrogen Bond Role.

    PubMed

    Ranieri, Umbertoluca; Giura, Paola; Gorelli, Federico A; Santoro, Mario; Klotz, Stefan; Gillet, Philippe; Paolasini, Luigi; Koza, Michael Marek; Bove, Livia E

    2016-09-01

    We investigate the terahertz dynamics of liquid H2O as a function of pressure along the 450 K isotherm, by coupled quasielastic neutron scattering and inelastic X-ray scattering experiments. The pressure dependence of the single-molecule dynamics is anomalous in terms of both microscopic translation and rotation. In particular, the Stokes-Einstein-Debye equations are shown to be violated in hot water compressed to the GPa regime. The dynamics of the hydrogen bond network is only weakly affected by the pressure variation. The time scale of the structural relaxation driving the collective dynamics increases by a mere factor of 2 along the investigated isotherm, and the structural relaxation strength turns out to be almost pressure independent. Our results point at the persistence of the hydrogen bond network in hot dense water up to ice VII crystallization, thus questioning the long-standing perception that hydrogen bonds are broken in liquid water under the effect of compression.

  20. Sulfide Mineralogy and Geochemistry

    NASA Astrophysics Data System (ADS)

    Dilles, John

    2007-02-01

    Reviews in Mineralogy and Geochemistry Series, Volume 61 David J. Vaughan, Editor Geochemical Society and Mineralogical Society of America; ISBN 0-939950-73-1 xiii + 714 pp.; 2006; $40. Sulfide minerals as a class represent important minor rock-forming minerals, but they are generally known as the chief sources of many economic metallic ores. In the past two decades, sulfide research has been extended to include important roles in environmental geology of sulfide weathering and resultant acid mine drainage, as well as in geomicrobiology in which bacteria make use of sulfides for metabolic energy sources. In the latter respect, sulfides played an important role in early evolution of life on Earth and in geochemical cycling of elements in the Earth's crust and hydrosphere.

  1. Aqua Dynamics. Physical Conditioning through Water Exercises.

    ERIC Educational Resources Information Center

    President's Council on Physical Fitness and Sports, Washington, DC.

    Swimming is recognized as America's most popular active sport. It is one of the best physical activities for people of all ages and for people who are physically handicapped. Vigorous water exercises can increase a person's flexibility, strength, and cardio-vascular endurance. Exercises requiring flexibility are performed more easily in water…

  2. Mixing Dynamics Between Water and Biofuels

    NASA Astrophysics Data System (ADS)

    Cotel, Aline; Demond, Avery; Lei, Jiariu; Green, Erica

    2013-11-01

    Currently, ethanol-based biofuels are considered to be among the best alternatives to gasoline. However, the potential environmental impact of a spill of such fuels on aquatic environments is an area of open discussion and research. Since these fuels are a combination of a miscible fluid (ethanol) and an immiscible fluid (gasoline), models used for traditional gasoline fuels (immiscible in water) are not applicable. Preliminary experiments show that when a solution of ethanol and glycol is mixed with water, a third mixed fluid is formed. Two distinct mixing regimes are observed. A turbulent wake is created between the ethanol/glycol and water layers to cause the ethanol and glycol solution to entrain and mix into with the water phase. In the first regime, due to nonlinear mixing behavior, a dramatic overturning is possible for a certain range of parameters. The second regime begins when the turbulent wake has dissipated and the internal wave created by the plate has begun to settle, typically within the first minute. At this point, Bénard-like cells, similar to those typically seen in Rayleigh-Bénard convection, form at the interface and relatively slow mass transfer is evident. Both regimes are described quantitatively with a set of dimensionless parameters.

  3. Molecular dynamics simulations of water within models of ion channels.

    PubMed

    Breed, J; Sankararamakrishnan, R; Kerr, I D; Sansom, M S

    1996-04-01

    The transbilayer pores formed by ion channel proteins contain extended columns of water molecules. The dynamic properties of such waters have been suggested to differ from those of water in its bulk state. Molecular dynamics simulations of ion channel models solvated within and at the mouths of their pores are used to investigate the dynamics and structure of intra-pore water. Three classes of channel model are investigated: a) parallel bundles of hydrophobic (Ala20) alpha-helices; b) eight-stranded hydrophobic (Ala10) antiparallel beta-barrels; and c) parallel bundles of amphipathic alpha-helices (namely, delta-toxin, alamethicin, and nicotinic acetylcholine receptor M2 helix). The self-diffusion coefficients of water molecules within the pores are reduced significantly relative to bulk water in all of the models. Water rotational reorientation rates are also reduced within the pores, particularly in those pores formed by alpha-helix bundles. In the narrowest pore (that of the Ala20 pentameric helix bundle) self-diffusion coefficients and reorientation rates of intra-pore waters are reduced by approximately an order of magnitude relative to bulk solvent. In Ala20 helix bundles the water dipoles orient antiparallel to the helix dipoles. Such dipole/dipole interaction between water and pore may explain how water-filled ion channels may be formed by hydrophobic helices. In the bundles of amphipathic helices the orientation of water dipoles is modulated by the presence of charged side chains. No preferential orientation of water dipoles relative to the pore axis is observed in the hydrophobic beta-barrel models.

  4. Water Dynamics in the Hydration Shells of Biomolecules.

    PubMed

    Laage, Damien; Elsaesser, Thomas; Hynes, James T

    2017-03-01

    The structure and function of biomolecules are strongly influenced by their hydration shells. Structural fluctuations and molecular excitations of hydrating water molecules cover a broad range in space and time, from individual water molecules to larger pools and from femtosecond to microsecond time scales. Recent progress in theory and molecular dynamics simulations as well as in ultrafast vibrational spectroscopy has led to new and detailed insight into fluctuations of water structure, elementary water motions, electric fields at hydrated biointerfaces, and processes of vibrational relaxation and energy dissipation. Here, we review recent advances in both theory and experiment, focusing on hydrated DNA, proteins, and phospholipids, and compare dynamics in the hydration shells to bulk water.

  5. Static and dynamic contact angles of water droplet on a solid surface using molecular dynamics simulation.

    PubMed

    Hong, Seung Do; Ha, Man Yeong; Balachandar, S

    2009-11-01

    The present study investigates the variation of static contact angle of a water droplet in equilibrium with a solid surface in the absence of a body force and the dynamic contact angles of water droplet moving on a solid surface for different characteristic energies using the molecular dynamics simulation. With increasing characteristic energy, the static contact angle in equilibrium with a solid surface in the absence of a body force decreases because the hydrophobic surface changes its characteristics to the hydrophilic surface. In order to consider the effect of moving water droplet on the dynamic contact angles, we apply the constant acceleration to an individual oxygen and hydrogen atom. In the presence of a body force, the water droplet changes its shape with larger advancing contact angle than the receding angle. The dynamic contact angles are compared with the static contact angle in order to see the effect of the presence of a body force.

  6. Dissolution dynamics of the calcite-water interface observed in situ by glancing-incidence X-ray scattering

    SciTech Connect

    Sturchio, N.C.; Chiarello, R.P.

    1995-06-02

    Glancing-incidence X-ray scattering measurements made at the National Synchrotron Light Source were used to investigate dissolution dynamics in situ at the calcite-water interface. The relation between calcite saturation state and roughness of the calcite (1014) cleavage surface as a function of time was examined during pH titrations of an initially calcite-saturated solution. Systematic variations in roughness were observed as a function of saturation state as pH was titrated to values below that of calcite saturation. Different steady-state values of roughness were evident at fixed values of {Delta}G{sub r}, and these were correlated with the extent of undersaturation. A significant increase in roughness begins to occur with increasing undersaturation at a {Delta}G{sub r} value of approximately {minus}2.0 kcal/mol. The dissolution rate corresponding to this increase is about 1.5 x 10{sup 7} mmol/cm {center_dot} sec. This increase in roughness is attributed to a transition in the principal rate-determining dissolution mechanism, and is consistent with both powder-reaction studies of dissolution kinetics and single-crystal dissolution studies by atomic force microscopy. These data indicate some important potential applications of GIXS in the study of mineral-water interface geochemistry.

  7. Dynamics of water in prussian blue analogues: Neutron scattering study

    SciTech Connect

    Sharma, V. K.; Mitra, S.; Thakur, N.; Yusuf, S. M.; Mukhopadhyay, R.; Juranyi, Fanni

    2014-07-21

    Dynamics of crystal water in Prussian blue (PB), Fe(III){sub 4}[Fe(II)(CN){sub 6}]{sub 3}.14H{sub 2}O and its analogue Prussian green (PG), ferriferricynaide, Fe(III){sub 4}[Fe(III)(CN){sub 6}]{sub 4}.16H{sub 2}O have been investigated using Quasielastic Neutron Scattering (QENS) technique. PB and its analogue compounds are important materials for their various interesting multifunctional properties. It is known that crystal water plays a crucial role towards the multifunctional properties of Prussian blue analogue compounds. Three structurally distinguishable water molecules: (i) coordinated water molecules at empty nitrogen sites, (ii) non-coordinated water molecules in the spherical cavities, and (iii) at interstitial sites exist in PB. Here spherical cavities are created due to the vacant sites of Fe(CN){sub 6} units. However, PG does not have any such vacant N or Fe(CN){sub 6} units, and only one kind of water molecules, exists only at interstitial sites. QENS experiments have been carried out on both the compounds in the temperature range of 260–360 K to elucidate the dynamical behavior of different kinds of water molecules. Dynamics is found to be much more pronounced in case of PB, compared to PG. A detailed data analysis showed that localized translational diffusion model could describe the observed data for both PB and PG systems. The average diffusion coefficient is found to be much larger in the PB than PG. The obtained domain of dynamics is found to be consistent with the geometry of the structure of the two systems. Combining the data of the two systems, a quantitative estimate of the dynamics, corresponding to the water molecules at different locations is made.

  8. Hydration water dynamics and instigation of protein structuralrelaxation

    SciTech Connect

    Russo, Daniela; Hura, Greg; Head-Gordon, Teresa

    2003-09-01

    Until a critical hydration level is reached, proteins do not function. This critical level of hydration is analogous to a similar lack of protein function observed for temperatures below a dynamical temperature range of 180-220K that also is connected to the dynamics of protein surface water. Restoration of some enzymatic activity is observed in partially hydrated protein powders, sometimes corresponding to less than a single hydration layer on the protein surface, which indicates that the dynamical and structural properties of the surface water is intimately connected to protein stability and function. Many elegant studies using both experiment and simulation have contributed important information about protein hydration structure and timescales. The molecular mechanism of the solvent motion that is required to instigate the protein structural relaxation above a critical hydration level or transition temperature has yet to be determined. In this work we use experimental quasi-elastic neutron scattering (QENS) and molecular dynamics simulation to investigate hydration water dynamics near a greatly simplified protein system. We consider the hydration water dynamics near the completely deuterated N-acetyl-leucine-methylamide (NALMA) solute, a hydrophobic amino acid side chain attached to a polar blocked polypeptide backbone, as a function of concentration between 0.5M-2.0M under ambient conditions. We note that roughly 50-60% of a folded protein's surface is equally distributed between hydrophobic and hydrophilic domains, domains whose lengths are on the order of a few water diameters, that justify our study of hydration dynamics of this simple model protein system. The QENS experiment was performed at the NIST Center for Neutron Research, using the disk chopper time of flight spectrometer (DCS). In order to separate the translational and rotational components in the spectra, two sets of experiments were carried out using different incident neutron wavelengths of 7

  9. Quantum effects in the dynamics of deeply supercooled water

    SciTech Connect

    Agapov, Alexander L.; Kolesnikov, Alexander I.; Novikov, Vladimir N.; Richert, Ranko; Sokolov, Alexei P

    2015-02-26

    In spite of its simple chemical structure, water remains one of the most puzzling liquids with many anomalies at low temperatures. Combining neutron scattering and dielectric relaxation spectroscopy, we show that quantum fluctuations are not negligible in deeply supercooled water. Our dielectric measurements reveal the anomalously weak temperature dependence of structural relaxation in vapor-deposited water close to the glass transition temperature Tg~136K. We demonstrate that this anomalous behavior can be explained well by quantum effects. In conclusion, these results have significant implications for our understanding of water dynamics.

  10. Quantum effects in the dynamics of deeply supercooled water

    DOE PAGES

    Agapov, Alexander L.; Kolesnikov, Alexander I.; Novikov, Vladimir N.; ...

    2015-02-26

    In spite of its simple chemical structure, water remains one of the most puzzling liquids with many anomalies at low temperatures. Combining neutron scattering and dielectric relaxation spectroscopy, we show that quantum fluctuations are not negligible in deeply supercooled water. Our dielectric measurements reveal the anomalously weak temperature dependence of structural relaxation in vapor-deposited water close to the glass transition temperature Tg~136K. We demonstrate that this anomalous behavior can be explained well by quantum effects. In conclusion, these results have significant implications for our understanding of water dynamics.

  11. Linking Water Table Dynamics to Carbon Cycling in Artificial Soil Column Incubations

    NASA Astrophysics Data System (ADS)

    Geertje, Pronk; Adrian, Mellage; Tatjana, Milojevic; Fereidoun, Rezanezhad; Cappellen Philippe, Van

    2016-04-01

    The biogeochemistry of wetlands soils is closely tied to their hydrology. Water table fluctuations that cause flooding and drying of these systems may lead to enhanced degradation of organic matter and release of greenhouse gasses (e.g. CO2, CH4) to the atmosphere. However, predicting the influence of water table fluctuations on the biogeochemical functioning of soils requires an understanding of the interactions of soil hydrology with biogeochemical and microbial processes. To determine the effects of water table dynamics on carbon cycling, we are carrying out state-of-the-art automated soil column experiments with fully integrated monitoring of hydro-bio-geophysical process variables under both constant and oscillating water table conditions. An artificial, homogeneous mixture consisting of minerals and organic matter is used to provide a well-defined starting material. The artificial soils are composed of quartz sand, montmorillonite, goethite and humus from a forested riparian zone, from which we also extracted the microbial inoculum added to the soil mixture. The artificial soils are packed into 60 cm high, 7.5 cm wide columns. In the currently ongoing experiment, three replicate columns are incubated while keeping the water table constant water at mid-depth, while another three columns alternate between drained and saturated conditions. Micro-sensors installed at different depths below the soil surface record time-series redox potentials (Eh) varying between oxidizing (~+700 mV) and reducing (~-200 mV) conditions. Continuous O2 levels throughout the soil columns are monitored using high-resolution, luminescence-based, Multi Fiber Optode (MuFO) microsensors. Pore waters are collected periodically with MicroRhizon samplers from different depths, and analyzed for pH, EC, dissolved inorganic and organic carbon and ion/cation compositions. These measurements allow us to track the changes in pore water geochemistry and relate them to differences in carbon cycling

  12. Polar solvation dynamics in water and methanol: search for molecularity.

    PubMed

    Sajadi, Mohsen; Weinberger, Michael; Wagenknecht, Hans-Achim; Ernsting, Nikolaus P

    2011-10-21

    Time-dependent Stokes shifts (TDSS) were measured for diverse polarity probes in water, heavy water, methanol, and benzonitrile, by broadband fluorescence up-conversion with 85 fs time resolution. In water the spectral dynamics is solute-independent and quantitatively described by simple dielectric continuum theory of solvation. In methanol the slower part of the TDSS is solute-dependent. A correlation with anisotropy decay suggests that methanol solvation dynamics is modulated by orientational solute diffusion. An empirical power law which links the solvation relaxation function of a mobile solute to that of an immobile solute is experimentally verified. Activation energies for the average relaxation rate are also given. Solvation dynamics in H(2)O and D(2)O are identical at and above 20 °C but diverge below.

  13. Nonequilibrium water dynamics in the rhizosphere: How mucilage affects water flow in soils

    NASA Astrophysics Data System (ADS)

    Kroener, Eva; Zarebanadkouki, Mohsen; Kaestner, Anders; Carminati, Andrea

    2014-08-01

    The flow of water from soil to plant roots is controlled by the properties of the narrow region of soil close to the roots, the rhizosphere. In particular, the hydraulic properties of the rhizosphere are altered by mucilage, a polymeric gel exuded by the roots. In this paper we present experimental results and a conceptual model of water flow in unsaturated soils mixed with mucilage. A central hypothesis of the model is that the different drying/wetting rate of mucilage compared to the bulk soil results in nonequilibrium relations between water content and water potential in the rhizosphere. We coupled this nonequilibrium relation with the Richards equation and obtained a constitutive equation for water flow in soil and mucilage. To test the model assumptions, we measured the water retention curve and the saturated hydraulic conductivity of sandy soil mixed with mucilage from chia seeds. Additionally, we used neutron radiography to image water content in a layer of soil mixed with mucilage during drying and wetting cycles. The radiographs demonstrated the occurrence of nonequilibrium water dynamics in the soil-mucilage mixture. The experiments were simulated by numerically solving the nonequilibrium model. Our study provides conceptual and experimental evidences that mucilage has a strong impact on soil water dynamics. During drying, mucilage maintains a greater soil water content for an extended time, while during irrigation it delays the soil rewetting. We postulate that mucilage exudation by roots attenuates plant water stress by modulating water content dynamics in the rhizosphere.

  14. Water Dynamics in Protein Hydration Shells: The Molecular Origins of the Dynamical Perturbation

    PubMed Central

    2014-01-01

    Protein hydration shell dynamics play an important role in biochemical processes including protein folding, enzyme function, and molecular recognition. We present here a comparison of the reorientation dynamics of individual water molecules within the hydration shell of a series of globular proteins: acetylcholinesterase, subtilisin Carlsberg, lysozyme, and ubiquitin. Molecular dynamics simulations and analytical models are used to access site-resolved information on hydration shell dynamics and to elucidate the molecular origins of the dynamical perturbation of hydration shell water relative to bulk water. We show that all four proteins have very similar hydration shell dynamics, despite their wide range of sizes and functions, and differing secondary structures. We demonstrate that this arises from the similar local surface topology and surface chemical composition of the four proteins, and that such local factors alone are sufficient to rationalize the hydration shell dynamics. We propose that these conclusions can be generalized to a wide range of globular proteins. We also show that protein conformational fluctuations induce a dynamical heterogeneity within the hydration layer. We finally address the effect of confinement on hydration shell dynamics via a site-resolved analysis and connect our results to experiments via the calculation of two-dimensional infrared spectra. PMID:24479585

  15. Water and polymer dynamics in highly crosslinked polyamide membranes

    NASA Astrophysics Data System (ADS)

    Frieberg, Bradley; Chan, Edwin; Tyagi, Madhu; Stafford, Christopher; Soles, Christopher

    Highly crosslinked polyamides for reverse osmosis are the state-of-the-art active material in membranes for desalination. The thin film composite membrane structure that is used commercially has been empirically designed to selectively allow the passage of water molecules and minimize the passage of solutes such as salt. However, due to the large roughness and variability of the polyamide layer, there is a limited understanding of the structure-property relationship for these materials as well as the transport mechanism. To better understand the water transport mechanism we measure the water and polymer dynamics of polyamide membranes using quasi-elastic neutron scattering (QENS). By hydrating the membrane with deuterated water, we are able to isolate the dynamics of the hydrogenated membrane on the pico- and nanosecond time scales. By subsequently hydrating the membranes with hydrogenated water, the QENS measurements on the same times scales reveal information about both the translational and rotational dynamics of water confined within the polyamide membrane. Further understanding of the water diffusion mechanism will establish design rules in which the performance of future membrane materials can be improved.

  16. Estimating Biofuel Feedstock Water Footprints Using System Dynamics

    SciTech Connect

    Inman, Daniel; Warner, Ethan; Stright, Dana; Macknick, Jordan; Peck, Corey

    2016-07-01

    Increased biofuel production has prompted concerns about the environmental tradeoffs of biofuels compared to petroleum-based fuels. Biofuel production in general, and feedstock production in particular, is under increased scrutiny. Water footprinting (measuring direct and indirect water use) has been proposed as one measure to evaluate water use in the context of concerns about depleting rural water supplies through activities such as irrigation for large-scale agriculture. Water footprinting literature has often been limited in one or more key aspects: complete assessment across multiple water stocks (e.g., vadose zone, surface, and ground water stocks), geographical resolution of data, consistent representation of many feedstocks, and flexibility to perform scenario analysis. We developed a model called BioSpatial H2O using a system dynamics modeling and database framework. BioSpatial H2O could be used to consistently evaluate the complete water footprints of multiple biomass feedstocks at high geospatial resolutions. BioSpatial H2O has the flexibility to perform simultaneous scenario analysis of current and potential future crops under alternative yield and climate conditions. In this proof-of-concept paper, we modeled corn grain (Zea mays L.) and soybeans (Glycine max) under current conditions as illustrative results. BioSpatial H2O links to a unique database that houses annual spatially explicit climate, soil, and plant physiological data. Parameters from the database are used as inputs to our system dynamics model for estimating annual crop water requirements using daily time steps. Based on our review of the literature, estimated green water footprints are comparable to other modeled results, suggesting that BioSpatial H2O is computationally sound for future scenario analysis. Our modeling framework builds on previous water use analyses to provide a platform for scenario-based assessment. BioSpatial H2O's system dynamics is a flexible and user

  17. Arctic Pacific water dynamics from model intercomparison and observations

    NASA Astrophysics Data System (ADS)

    Aksenov, Yevgeny; Karcher, Michael; Proshutinsky, Andrey; Gerdes, Ruediger; Bacon, Sheldon; Nurser, George; Coward, Andrew; Golubeva, Elena; Kauker, Frank; Nguyen, An; Platov, Gennady; Wadley, Martin; Watanabe, Eiji

    2016-04-01

    Pacific Water imports heat and fresh water from the northern Pacific in the Arctic Ocean, impacting upper ocean mixing and dynamics, as well as Arctic sea ice. Pathways and the circulation of PW in the central Arctic Ocean are not well known due to the lack of observations. This study uses an ensemble of the sea ice-ocean models integrated with passive tracer released in the Bering Strait to simulate Pacific water spread. We investigate different branches and modes of Pacific water and analyse changes in the water mass distribution through the Arctic Ocean due to changes in the wind and ocean potential vorticity. We focus on seasonal cycle and inter-decadal variations. The first results have been published recently (Aksenov et al., 2015) as a part of Forum for Arctic Ocean Modeling and Observational Synthesis (FAMOS) project. In the present study we extend the examination further and discuss the role of the Pacific water variability in the recent changes in the Arctic heat and fresh water storage. We present insights in the projected future changes to Pacific water dynamics. Reference Aksenov, Y., et al. (2015), Arctic pathways of Pacific Water: Arctic Ocean Model Intercomparison experiments, J. Geophys. Res. Oceans, 120, doi:10.1002/2015JC011299.

  18. Molecular dynamic simulations of the water absorbency of hydrogels.

    PubMed

    Ou, Xiang; Han, Qiang; Dai, Hui-Hui; Wang, Jiong

    2015-09-01

    A polymer gel can imbibe solvent molecules through surface tension effect. When the solvent happens to be water, the gel can swell to a large extent and forms an aggregate called hydrogel. The large deformation caused by such swelling makes it difficult to study the behaviors of hydrogels. Currently, few molecular dynamic simulation works have been reported on the water absorbing mechanism of hydrogels. In this paper, we first use molecular dynamic simulation to study the water absorbing mechanism of hydrogels and propose a hydrogel-water interface model to study the water absorbency of the hydrogel surface. Also, the saturated water content and volume expansion rate of the hydrogel are investigated by building a hydrogel model with different cross-linking degree and by comparing the water absorption curves under different temperatures. The sample hydrogel model used consists of Polyethylene glycol diglycidyl ether (PEGDGE) as epoxy and the Jeffamine, poly-oxy-alkylene-amines, as curing agent. The conclusions obtained are useful for further investigation on PEGDGE/Jeffamine hydrogel. Moreover, the simulation methods, including hydrogel-water interface modeling, we first propose are also suitable to study the water absorbing mechanism of other hydrogels.

  19. Quantum tunneling and vibrational dynamics of ultra-confined water

    NASA Astrophysics Data System (ADS)

    Kolesnikov, Alexander I.; Anovitz, Lawrence M.; Ehlers, Georg; Mamontov, Eugene; Podlesnyak, Andrey; Prisk, Timothy R.; Seel, Andrew; Reiter, George F.

    2015-03-01

    Vibrational dynamics of ultra-confined water in single crystals beryl, the structure of which contains ~ 5 Å diameter channels along the c-axis was studied with inelastic (INS), quasi-elastic (QENS) and deep inelastic (DINS) neutron scattering. The results reveal significantly anisotropic dynamical behavior of confined water, and show that effective potential experienced by water perpendicular to the channels is significantly softer than along them. The observed 7 peaks in the INS spectra (at energies 0.25 to 15 meV), based on their temperature and momentum transfer dependences, are explained by transitions between the split ground states of water in beryl due to water quantum tunneling between the 6-fold equivalent positions across the channels. DINS study of beryl at T=4.3 K shows narrow, anisotropic water proton momentum distribution with corresponding kinetic energy, EK=95 meV, which is much less than was previously observed in bulk water (~150 meV). We believe that the exceptionally small EK in beryl is a result of water quantum tunneling ∖ delocalization in the nanometer size confinement and weak water-cage interaction. The neutron experiment at ORNL was sponsored by the Sci. User Facilities Div., BES, U.S. DOE. This research was sponsored by the Div. Chemical Sci, Geosciences, and Biosciences, BES, U.S. DOE. The STFC RAL is thanked for access to ISIS neutron facilities.

  20. Imaging the molecular dynamics of dissociative electron attachment to water

    SciTech Connect

    Adaniya, Hidihito; Rudek, B.; Osipov, Timur; Haxton, Dan; Weber, Thorsten; Rescigno, Thomas N.; McCurdy, C.W.; Belkacem, Ali

    2009-10-19

    Momentum imaging experiments on dissociative electron attachment to the water molecule are combined with ab initio theoretical calculations of the angular dependence of the quantum mechanical amplitude for electron attachment to provide a detailed picture of the molecular dynamics of dissociation attachment via the two lowest energy Feshbach resonances. The combination of momentum imaging experiments and theory can reveal dissociation dynamics for which the axial recoil approximation breaks down and thus provides a powerful reaction microscope for DEA to polyatomics.

  1. [Soil water and its karst effect in epikarst dynamic system].

    PubMed

    Deng, Yan; Qin, Xing-Ming; Jiang, Zhong-Cheng; Luo, Wei-Qun; Qi, Xiao-Fan

    2009-07-01

    This paper studied the soil physical properties, soil CO2, soil water and spring water chemistry in a mature forest and a shrub in Nongla of Guangxi, China, as well as the relationships between the chemistry of soil water and spring water, aimed to understand the karst effect of the soil water in Nongla epikarst dynamic system. Significant differences were observed in the soil bulk density and non-capillary porosity under forest and shrub, which affected soil water content. The fixed CO2 in soil water had a significant negative correlation with soil CO2, and the free CO2 in soil water was 0 mg x m(-3) in the forest and 5.33 x 10(3) mg x m(-3) in the shrub. In soil water and spring water, there was a negative correlation between pH and Ca2+, Mg2+, and Cl- concentrations, and a positive correlation between K+, Na+, and HCO3- concentrations and organic C content. After the eluviation of rain water, the ion concentrations in leached soil water increased greatly, and accordingly, its corrosion ability enhanced greatly. The karst process in forest environment was stable and intensive, while that in shrub environment was active but weak.

  2. Hydration water in dynamics of a hydrated beta-lactoglobulin

    NASA Astrophysics Data System (ADS)

    Yoshida, K.; Yamaguchi, T.; Bellissent-Funel, M.-C.; Longeville, S.

    2007-02-01

    Incoherent spin-echo signals of a hydrated β-lactoglobulin protein were investigated, at 275 and 293 K. The intermediate scattering functions I(Q,t) were divided in two contributions from surface water and protein, respectively. On one hand, the dynamics of the surface water follows a KWW stretched exponential function (the exponent is ~0.5), on the other hand, that of the protein follows a single exponential. The present results are consistent with our previous results of hydrated C-phycocyanin combining elastic and quasielastic neutron scattering and by molecular dynamics simulation.

  3. Low dimensional molecular dynamics of water inside a carbon nanotube

    NASA Astrophysics Data System (ADS)

    Shiomi, Junichiro; Lin, Yuan; Amberg, Gustav; Maruyama, Shigeo

    2008-11-01

    While carbon nanotubes (CNTs) have attracted a number of researches as the key building blocks for nanotechnology, they have also caught attentions as ideal materials that realize quasi-one-dimensional channel environment, a key system in bioscience. Such materials stimulate studies in fluid dynamics under low dimensional confinement, which is restricted and departs significantly from that in three-dimension. The current study serves to explore such atomic scale dynamics by performing a series of molecular dynamics (MD) simulations on water confined in a CNT with a diameter of the order of 1 nm. The MD simulations have successfully probed the phase transition of a water cluster confined in a CNT to an ice-nanotube with anomalous diameter dependence. It has also been applied to investigate the possibility of transporting water through a CNT by a temperature gradient. In this study, we particularly highlight the dielectric properties of water confined inside a CNT. The confinement gives rise to strongly anisotropic dielectric relaxation, where the relaxation becomes faster and slower in the cross sectional and axial directions, respectively. The diameter dependences of the dielectric properties are discussed in connection with water dynamics and structures in quasi-one-dimension.

  4. Biogeochemical and microbial seasonal dynamics between water column and sediment processes in a productive mountain lake: Georgetown Lake, MT, USA

    NASA Astrophysics Data System (ADS)

    Parker, Stephen R.; West, Robert F.; Boyd, Eric S.; Feyhl-Buska, Jayme; Gammons, Christopher H.; Johnston, Tyler B.; Williams, George P.; Poulson, Simon R.

    2016-08-01

    This manuscript details investigations of a productive, mountain freshwater lake and examines the dynamic relationship between the chemical and stable isotopes and microbial composition of lake bed sediments with the geochemistry of the lake water column. A multidisciplinary approach was used in order to better understand the lake water-sediment interactions including quantification and sequencing of microbial 16S rRNA genes in a sediment core as well as stable isotope analysis of C, S, and N. One visit included the use of a pore water sampler to gain insight into the composition of dissolved solutes within the sediment matrix. Sediment cores showed a general decrease in total C with depth which included a decrease in the fraction of organic C combined with an increase in the fraction of inorganic C. One sediment core showed a maximum concentration of dissolved organic C, dissolved inorganic C, and dissolved methane in pore water at 4 cm depth which corresponded with a sharp increase in the abundance of 16S rRNA templates as a proxy for the microbial population size as well as the peak abundance of a sequence affiliated with a putative methanotroph. The isotopic separation between dissolved inorganic and dissolved organic carbon is consistent with largely aerobic microbial processes dominating the upper water column, while anaerobic microbial activity dominates the sediment bed. Using sediment core carbon concentrations, predictions were made regarding the breakdown and return of stored carbon per year from this temperate climate lake with as much as 1.3 Gg C yr-1 being released in the form of CO2 and CH4.

  5. Evaluating water conservation and reuse policies using a dynamic water balance model.

    PubMed

    Qaiser, Kamal; Ahmad, Sajjad; Johnson, Walter; Batista, Jacimaria R

    2013-02-01

    A dynamic water balance model is created to examine the effects of different water conservation policies and recycled water use on water demand and supply in a region faced with water shortages and significant population growth, the Las Vegas Valley (LVV). The model, developed using system dynamics approach, includes an unusual component of the water system, return flow credits, where credits are accrued for returning treated wastewater to the water supply source. In LVV, Lake Mead serves as, both the drinking water source and the receiving body for treated wastewater. LVV has a consumptive use allocation from Lake Mead but return flow credits allow the water agency to pull out additional water equal to the amount returned as treated wastewater. This backdrop results in a scenario in which conservation may cause a decline in the available water supply. Current water use in LVV is 945 lpcd (250 gpcd), which the water agency aims to reduce to 752 lpcd (199 gpcd) by 2035, mainly through water conservation. Different conservation policies focused on indoor and outdoor water use, along with different population growth scenarios, are modeled for their effects on the water demand and supply. Major contribution of this study is in highlighting the importance of outdoor water conservation and the effectiveness of reducing population growth rate in addressing the future water shortages. The water agency target to decrease consumption, if met completely through outdoor conservation, coupled with lower population growth rate, can potentially satisfy the Valley's water demands through 2035.

  6. Water exit dynamics of buoyant spheres

    NASA Astrophysics Data System (ADS)

    Truscott, Tadd T.; Epps, Brenden P.; Munns, Randy H.

    2016-11-01

    Buoyant spheres released below the free surface can rise well above the surface in a phenomenon known as pop-up. Contrary to intuition, increasing the release depth sometimes results in a lower pop-up height. We present the pop-up height of rising buoyant spheres over a range of release depths (1-12.5 diameters) and Reynolds numbers (4 ×104 to 6 ×105 ). While the dynamics of rising buoyant spheres and bubbles has been thoroughly investigated for Reynolds numbers below 104, pop-up in these larger-Reynolds-number regimes has not been studied. Yet the underwater motions of the sphere for the Reynolds numbers we study are the key to understanding the pop-up height. Two major regimes are apparent: vertical and oscillatory. The vertical regime exhibits a nearly vertical underwater trajectory and results in the largest pop-up heights. The oscillatory regime exhibits an underwater trajectory with periodic lateral motions and results in lower pop-up heights; this periodic lateral motion is modulated by unsteady vortex shedding in the wake of the sphere. Despite these complex fluid structure interactions, the experiments presented herein yield extremely repeatable results.

  7. Surface water connectivity dynamics of a large scale extreme flood

    NASA Astrophysics Data System (ADS)

    Trigg, Mark A.; Michaelides, Katerina; Neal, Jeffrey C.; Bates, Paul D.

    2013-11-01

    Uses the MODIS surface water product observations of the 2011 Bangkok flood.A data gap filling method is developed to better preserve the dynamics of the event.We quantify surface water connectivity geostatistically to give new flood insights.There is a clear structure to the connectivity of the event through time and space.Changes and thresholds in the connectivity are linked to major flood mechanisms.

  8. On the coupling between the dynamics of protein and water.

    PubMed

    Gavrilov, Yulian; Leuchter, Jessica D; Levy, Yaakov

    2017-03-09

    Interactions between water and biomolecules can significantly change the former's structural, dynamic, and thermodynamic properties relative to the bulk. Experimental, theoretical, and computational studies show that changes in water properties can be observed at distances of more than 10 Å from a biomolecule. The effects of biopolymers on hydration water molecules can be attributed to several factors: the chemical nature of the amino acid residues involved, the spatial arrangement of the biomolecule, and its conformational flexibility. In the current study, we concentrate on the effect of protein chain flexibility on the properties of hydration water, using short peptides as a model. We constructed 18 linear peptides with the sequence (XXGG) × 5, where X represents one of the common amino acids, other than glycine and proline. Using molecular dynamics (MD) simulations, we studied how restricting the chain flexibility can affect the structural, dynamic, and thermodynamic properties of hydration water. We found that restricting the peptide dynamics can slow down the translational motions of water molecules to a distance of at least 12-13 Å. Analysis of the 'slow' water molecules (residence time ≥ 100 ps) together with a thermodynamic analysis of water within 4.5 Å of the peptide revealed significant differences between the hydration properties of the peptides. The balance between the entropic and enthalpic solvation effects defines the final contribution to the hydration free energy of the restricted system. Our study implies that different regions of the proteins that have different configurational entropies may also have different solvation entropies and therefore different contributions to the overall thermodynamic stability. Therefore, mutations of a solvent exposed residue may modify the thermodynamic stability depending solely on the flexibility of the mutated sites due to their different solvation characteristics.

  9. Symplectic integrator for molecular dynamics of a protein in water

    NASA Astrophysics Data System (ADS)

    Ishida, Hisashi; Nagai, Yoshinori; Kidera, Akinori

    1998-01-01

    The symplectic integrator is an algorithm for solving equations of motion, preserving the volume in phase space and ensuring a stable simulation. We carried out molecular dynamics simulations of liquid water and a protein in water using several variations of symplectic integrators. It was found that a fourth-order symplectic integrator of Calvo and Sanz-Serna generated a trajectory of much higher accuracy than the conventional Verlet and Gear methods with the same requirements for CPU time.

  10. Methods of analysis by the U.S. Geological Survey Organic Geochemistry Research Group : determination of selected herbicides and their degradation products in water using solid-phase extraction and gas chromatography/mass spectrometry

    USGS Publications Warehouse

    Kish, J.L.; Thurman, E.M.; Scribner, E.A.; Zimmerman, L.R.

    2000-01-01

    A method for the extraction and analysis of eight herbicides and five degradation products using solid-phase extraction from natural water samples followed by gas chromatography/mass spectrometry is presented in this report. This method was developed for dimethenamid; flufenacet; fluometuron and its degradation products, demethylfluometuron (DMFM), 3-(trifluromethyl)phenylurea (TFMPU), 3-(trifluromethyl)-aniline (TFMA); molinate; norflurazon and its degradation product, demethylnorflurazon; pendamethalin; the degradation product of prometryn, deisopropylprometryn; propanil; and trifluralin. The eight herbicides are used primarily in the southern United States where cotton, rice, and soybeans are produced. The exceptions are dimethenamid and flufenacet, which are used on corn in the Midwest. Water samples received by the U.S. Geological Survey's Organic Geochemistry Research Group in Lawrence, Kansas, are filtered to remove suspended particulate matter and then passed through disposable solid-phase extraction columns containing octadecyl-bonded porous silica (C-18) to extract the compounds. The herbicides and their degradation products are removed from the column by ethyl acetate elution. The eluate is evaporated under nitrogen, and components then are separated, identified, and quantified by injecting an aliquot of the concentrated extract into a high-resolution, fused-silica capillary column of a gas chromatograph/mass spectrometer under selected-ion mode. Method detection limits ranged from 0.02 to 0.05 ?g/L for all compounds with the exception of TFMPU, which has a method detection limit of 0.32 ?g/L. The mean absolute recovery is 107 percent. This method for the determination of herbicides and their degradation products is valuable for acquiring information about water quality and compound fate and transport in water.

  11. Water dynamics in graphite oxide investigated with neutron scattering.

    PubMed

    Buchsteiner, Alexandra; Lerf, Anton; Pieper, Jörg

    2006-11-16

    Graphite oxide is an inorganic multilayer system that preserves the layered structure of graphite but not the conjugated bond structure. In the past few years, detailed studies of the static structure of graphite oxide were carried out. This was mainly done by NMR investigations and led to a new structural model of graphite oxide. The layer distance of graphite oxide increases with increasing humidity level, giving rise to different spacings of the carbon layers in the range from 6 to 12 A. As a consequence, different types of motions of water and functional groups appear. Information about the mobility of the water molecules is not yet complete but is crucial for the understanding of the structure of the carbon layers as well as the intercalation process. In this paper, the hydration- and temperature-dependent dynamic behavior of graphite oxide will be investigated by quasielastic neutron scattering using the time-of-flight spectrometer NEAT at the Hahn-Meitner-Institut Berlin. The character of the embedded water does not change over a wide range of hydration levels. Especially the interlayer water remains tightly bound and does not show any translational motion. In samples with excess water, however, the water is also distributed in noninterlayer voids, leading to the observation of additional motions of bulklike or confined water. The dynamic behavior of hydrated graphite oxide can be described by a consistent model that combines two two-site jump motions for the motions of the water molecules and the motions of OH groups.

  12. Molecular View of Water Dynamics near Model Peptides

    PubMed Central

    Russo, Daniela; Murarka, Rajesh K.; Copley, John R. D.; Head-Gordon, Teresa

    2009-01-01

    Incoherent quasi-elastic neutron scattering (QENS) has been used to measure the dynamics of water molecules in solutions of a model protein backbone, N-acetyl-glycine-methylamide (NAGMA), as a function of concentration, for comparison with results for water dynamics in aqueous solutions of the N-acetyl-leucine-methylamide (NALMA) hydrophobic peptide at comparable concentrations. From the analysis of the elastic incoherent structure factor, we find significant fractions of elastic intensity at high and low concentrations for both solutes, which corresponds to a greater population of protons with rotational time scales outside the experimental resolution (>13 ps). The higher-concentration solutions show a component of the elastic fraction that we propose is due to water motions that are strongly coupled to the solute motions, while for lowconcentration solutions an additional component is activated due to dynamic coupling between inner and outer hydration layers. An important difference between the solute types at the highest concentration studied is found from stretched exponential fits to their experimental intermediate scattering functions, showing more pronounced anomalous diffusion signatures for NALMA, including a smaller stretched exponent β and a longer structural relaxation time τ than those found for NAGMA. The more normal water diffusion exhibited near the hydrophilic NAGMA provides experimental support for an explanation of the origin of the anomalous diffusion behavior of NALMA as arising from frustrated interactions between water molecules when a chemical interface is formed upon addition of a hydrophobic side chain, inducing spatial heterogeneity in the hydration dynamics in the two types of regions of the NALMA peptide. We place our QENS measurements on model biological solutes in the context of other spectroscopic techniques and provide both confirming as well as complementary dynamic information that attempts to give a unifying molecular view of

  13. Molecular dynamics simulation of liquid water confined inside graphite channels: dielectric and dynamical properties.

    PubMed

    Martí, J; Nagy, G; Guàrdia, E; Gordillo, M C

    2006-11-30

    Electric and dielectric properties and microscopic dynamics of liquid water confined between graphite slabs are analyzed by means of molecular dynamics simulations for several graphite-graphite separations at ambient conditions. The electric potential across the interface shows oscillations due to water layering, and the overall potential drop is about -0.28 V. The total dielectric constant is larger than the corresponding value for the bulklike internal region of the system. This is mainly due to the preferential orientations of water nearest the graphite walls. Estimation of the capacitance of the system is reported, indicating large variations for the different adsorption layers. The main trend observed concerning water diffusion is 2-fold: on one hand, the overall diffusion of water is markedly smaller for the closest graphite-graphite separations, and on the other hand, water molecules diffuse in interfaces slightly slower than those in the bulklike internal areas. Molecular reorientational times are generally larger than those corresponding to those of unconstrained bulk water. The analysis of spectral densities revealed significant spectral shifts, compared to the bands in unconstrained water, in different frequency regions, and associated to confinement effects. These findings are important because of the scarce information available from experimental, theoretical, and computer simulation research into the dielectric and dynamical properties of confined water.

  14. The Dynamics of Water in Porous Two-Dimensional Crystals.

    PubMed

    Strong, Steven E; Eaves, Joel D

    2017-01-12

    Porous two-dimensional crystals offer many promises for water desalination applications. For computer simulation to play a predictive role in this area, however, one needs to have reliable methods for simulating an atomistic system with hydrodynamic currents and interpretative tools to relate microscopic interactions to emergent macroscopic dynamical quantities, such as friction, slip length, and permeability. In this article, we use Gaussian dynamics, a nonequilibrium molecular dynamics method that provides microscopic insights into the interactions that control the flows of both simple liquids and liquid water through atomically small channels. In simulations of aqueous transport, we mimic the effect of changing the membrane chemical composition by adjusting the attractive strength of the van der Waals interactions between the membrane atoms and water. We find that the wetting contact angle, a common measure of a membrane's hydrophobicity, does not predict the permeability of a membrane. Instead, the hydrophobic effect is subtle, with both static and dynamic effects that can both help and hinder water transport through these materials. The competition between the static and dynamical hydrophobicity balances an atomic membrane's tendency to wet against hydrodynamic friction, and determines an optimal contact angle for water passage through nonpolar membranes. To a reasonable approximation, the optimal contact angle depends only on the aspect ratio of the pore. We also find that water molecules pass through the most hydrophobic membranes in a punctuated series of bursts that are separated by long pauses. A continuous-time Markov model of these data provides evidence of a molecular analogue to the clogging transition, a phenomenon observed in driven granular flows.

  15. Socioeconomic dynamics of water quality in the Egyptian Nile

    NASA Astrophysics Data System (ADS)

    Malik, Maheen; Nisar, Zainab; Karakatsanis, Georgios

    2016-04-01

    The Nile River remains the most important source of freshwater for Egypt as it accounts for nearly all of the country's drinking and irrigation water. About 95% of the total population is accounted to live along the Banks of the Nile(1). Therefore, water quality deterioration in addition to general natural scarcity of water in the region(2) is the main driver for carrying out this study. What further aggravates this issue is the water conflict in the Blue Nile region. The study evaluates different water quality parameters and their concentrations in the Egyptian Nile; further assessing the temporal dynamics of water quality in the area with (a) the Environmental Kuznets Curve (EKC)(3) and (b) the Jevons Paradox (JP)(4) in order to identify water quality improvements or degradations using selected socioeconomic variables(5). For this purpose various environmental indicators including BOD, COD, DO, Phosphorus and TDS were plotted against different economic variables including Population, Gross Domestic Product (GDP), Annual Fresh Water Withdrawal and Improved Water Source. Mathematically, this was expressed by 2nd and 3rd degree polynomial regressions generating the EKC and JP respectively. The basic goal of the regression analysis is to model and highlight the dynamic trend of water quality indicators in relation to their established permissible limits, which will allow the identification of optimal future water quality policies. The results clearly indicate that the dependency of water quality indicators on socioeconomic variables differs for every indicator; while COD was above the permissible limits in all the cases despite of its decreasing trend in each case, BOD and phosphate signified increasing concentrations for the future, if they continue to follow the present trend. This could be an indication of rebound effect explained by the Jevons Paradox i.e. water quality deterioration after its improvement, either due to increase of population or intensification

  16. Dynamic water accounting in heavily committed river basins

    NASA Astrophysics Data System (ADS)

    Tilmant, Amaury; Marques, Guilherme

    2014-05-01

    Many river basins throughout the world are increasingly under pressure as water demands keep rising due to population growth, industrialization, urbanization and rising living standards. In the past, the typical answer to meet those demands focused on the supply-side and involved the construction of hydraulic infrastructures to capture more water from surface water bodies and from aquifers. As river basins were being more and more developed, downstream water users and ecosystems have become increasingly dependant on the management actions taken by upstream users. The increased interconnectedness between water users, aquatic ecosystems and the built environment is further compounded by climate change and its impact on the water cycle. Those pressures mean that it has become increasingly important to measure and account for changes in water fluxes and their corresponding economic value as they progress throughout the river system. Such basin water accounting should provide policy makers with important information regarding the relative contribution of each water user, infrastructure and management decision to the overall economic value of the river basin. This paper presents a dynamic water accounting approach whereby the entire river basin is considered as a value chain with multiple services including production and storage. Water users and reservoirs operators are considered as economic agents who can exchange water with their hydraulic neighbors at a price corresponding to the marginal value of water. Effective water accounting is made possible by keeping track of all water fluxes and their corresponding transactions using the results of a hydro-economic model. The proposed approach is illustrated with the Eastern Nile River basin in Africa.

  17. Anomalously Rapid Hydration Water Diffusion Dynamics Near DNA Surfaces.

    PubMed

    Franck, John M; Ding, Yuan; Stone, Katherine; Qin, Peter Z; Han, Songi

    2015-09-23

    The emerging Overhauser effect dynamic nuclear polarization (ODNP) technique measures the translational mobility of water within the vicinity (5-15 Å) of preselected sites. The work presented here expands the capabilities of the ODNP technique and illuminates an important, previously unseen, property of the translational diffusion dynamics of water at the surface of DNA duplexes. We attach nitroxide radicals (i.e., spin labels) to multiple phosphate backbone positions of DNA duplexes, allowing ODNP to measure the hydration dynamics at select positions along the DNA surface. With a novel approach to ODNP analysis, we isolate the contributions of water molecules at these sites that undergo free translational diffusion from water molecules that either loosely bind to or exchange protons with the DNA. The results reveal that a significant population of water in a localized volume adjacent to the DNA surface exhibits fast, bulk-like characteristics and moves unusually rapidly compared to water found in similar probe volumes near protein and membrane surfaces. Control studies show that the observation of these characteristics are upheld even when the DNA duplex is tethered to streptavidin or the mobility of the nitroxides is altered. This implies that, as compared to protein or lipid surfaces, it is an intrinsic feature of the DNA duplex surface that it interacts only weakly with a significant fraction of the surface hydration water network. The displacement of this translationally mobile water is energetically less costly than that of more strongly bound water by up to several kBT and thus can lower the activation barrier for interactions involving the DNA surface.

  18. Phosphorus Dynamic and Water Quality Paradigm. (Invited)

    NASA Astrophysics Data System (ADS)

    Pant, H. K.

    2009-12-01

    Depending on environmental conditions, stored nutrients and contaminants could be released from organic matrix through mineralization, and recycled within or exported from the ecosystems. The rates and duration of organic matter accumulations under changing hydro-climatic conditions are critical determinants of how a freshwater system functions as an ecological unit within a landscape. Aquatic ecosystems such as freshwaters can be very sensitive to changes, e.g., water quality, quantity and temperature, induced by climatic changes. Phosphorus (P) influx in freshwater systems may occur as a byproduct of single or many activities such as urban development and/or loading from within the systems due to gradual or sudden changes in environmental conditions. Any direct or indirect alterations due to anthropogenic influences, including a global rise in temperature, pose a serious threat of accelerated eutrophication of freshwater systems mainly due to P loading, causing their ultimate destructions. Our studies showed that sediments/soils contain both organic P (e.g., sugar phosphates and nucleoside monophosphates) and inorganic P in significant proportions, as well as acquiring data on P sorption phenomena, phosphatase-induced hydrolysis along with relative composition of various P forms will be helpful to derive P Destabilization Index to aid to the freshwater ecosystem management. It is indicative that any mitigating strategies need to take into account the nonlinear behaviors of the ecosystem processes and components, and begin planning to minimize effects of the changes. Also, it is crucial to be ready to integrate if there may need of policy revisions or adoption of new approaches and technologies, as the ecosystem struggles to attain a new equilibrium.

  19. Dynamics of Biofilm Regrowth in Drinking Water Distribution Systems

    PubMed Central

    Husband, S.; Loza, V.; Boxall, J.

    2016-01-01

    ABSTRACT The majority of biomass within water distribution systems is in the form of attached biofilm. This is known to be central to drinking water quality degradation following treatment, yet little understanding of the dynamics of these highly heterogeneous communities exists. This paper presents original information on such dynamics, with findings demonstrating patterns of material accumulation, seasonality, and influential factors. Rigorous flushing operations repeated over a 1-year period on an operational chlorinated system in the United Kingdom are presented here. Intensive monitoring and sampling were undertaken, including time-series turbidity and detailed microbial analysis using 16S rRNA Illumina MiSeq sequencing. The results show that bacterial dynamics were influenced by differences in the supplied water and by the material remaining attached to the pipe wall following flushing. Turbidity, metals, and phosphate were the main factors correlated with the distribution of bacteria in the samples. Coupled with the lack of inhibition of biofilm development due to residual chlorine, this suggests that limiting inorganic nutrients, rather than organic carbon, might be a viable component in treatment strategies to manage biofilms. The research also showed that repeat flushing exerted beneficial selective pressure, giving another reason for flushing being a viable advantageous biofilm management option. This work advances our understanding of microbiological processes in drinking water distribution systems and helps inform strategies to optimize asset performance. IMPORTANCE This research provides novel information regarding the dynamics of biofilm formation in real drinking water distribution systems made of different materials. This new knowledge on microbiological process in water supply systems can be used to optimize the performance of the distribution network and to guarantee safe and good-quality drinking water to consumers. PMID:27208119

  20. Reorientional dynamics of water molecules in anionic hydration shells

    PubMed Central

    Laage, Damien; Hynes, James T.

    2007-01-01

    Water molecule rotational dynamics within a chloride anion's first hydration shell are investigated through simulations. In contrast to recent suggestions that the ion's hydration shell is rigid during a water's reorientation, we find a labile hydration sphere, consistent with previous assessments of chloride as a weak structure breaker. The nondiffusive reorientation mechanism found involves a hydrogen-bond partner switch with a large amplitude angular jump and the water's departure from the anion's shell. An analytic extended jump model accounts for the simulation results, as well as available NMR and ultrafast spectroscopic data, and resolves the discrepancy between them. PMID:17581877

  1. Temporal Geochemistry Data from Five Springs in the Cement Creek Watershed, San Juan County, Colorado

    USGS Publications Warehouse

    Johnson, Raymond H.; Wirt, Laurie; Leib, Kenneth J.

    2008-01-01

    Temporal data from five springs in the Cement Creek watershed, San Juan County, Colorado provide seasonal geochemical data for further research in the formation of ferricretes. In addition, these data can be used to help understand the ground-water flow system. The resulting data demonstrate the difficulty in gathering reliable seasonal data from springs, show the unique geochemistry of each spring due to local geology, and provide seasonal trends in geochemistry for Tiger Iron Spring.

  2. Strong anisotropic dynamics of ultra-confined water.

    PubMed

    Kolesnikov, Alexander I; Anovitz, Lawrence M; Mamontov, Eugene; Podlesnyak, Andrey; Ehlers, Georg

    2014-11-26

    Dynamics of water confined in ∼5 Å diameter channels of beryl and cordierite single crystals were studied by using inelastic (INS) and quasielastic (QENS) neutron scattering. The INS spectra for both samples were similar and showed that there are no hydrogen bonds acting on water molecule, which experiences strong anisotropic potential, steep along the channels and very soft perpendicular to it. The high-resolution (3.4 μeV) QENS data revealed gradual freezing out of the water molecule dynamics for both minerals at temperatures below about 80 K when the scattering momentum transfer was parallel to the channels, but not when it was perpendicular to the channels. The QENS study with medium energy resolution (0.25 meV) of the beryl with the scattering momentum transfer along the channels showed gradual freezing out of water molecule dynamics at temperatures below about 200 K, whereas at higher temperatures the data could be described as 2-fold rotational jumps about the axis coinciding with the direction of the dipole moment (that is, perpendicular to the channels), with a residence time of 5.5 ps at 225 K. The energy resolution dependence of the apparent dynamics freezing temperature suggests gradual slowing down of the rotational jumps as the temperature is decreased, until the associated QENS broadening can no longer be detected, rather than actual freezing.

  3. Fractional Wetting and Contact Angle Dynamics in Water Repellent Soils

    NASA Astrophysics Data System (ADS)

    Beatty, S. M.; Smith, J. E.

    2009-12-01

    Soil water repellency is a vadose zone phenomenon most often associated with reduced or impeded infiltration for some time. Even if only short-lived, problems caused by soil water repellency are numerous and significant. In recent years, a substantial interdisciplinary research effort has advanced our knowledge of soil water behavior in these highly complex and non-linear hydrologic systems. However, fundamental understanding of the interdependent relationship between static conditions and dynamic processes is still largely undeveloped. In this study we used Axisymmetric Drop Shape Analysis (ADSA) and instrumented infiltration experiments to systematically measure and quantify static controls and dynamic processes in hydrophobic media. Using natural materials collected from a wildfire site approximately 1.5 years post-fire, we show that infiltration processes within these materials are largely governed by the spatial and temporal variation of wettable and non-wettable fractions. The approach taken 1) facilitated the development of our understanding of the interdependent nature of static and dynamic variables on soil water behavior in these materials and 2) indicates that the dynamic nature of these hydrophobic materials is well expressed empirically over centimeter spatial scales and temporal scales on the order of 10’s of minutes to hours.

  4. Ringin' the water bell: dynamic modes of curved fluid sheets

    NASA Astrophysics Data System (ADS)

    Kolinski, John; Aharoni, Hillel; Fineberg, Jay; Sharon, Eran

    2015-11-01

    A water bell is formed by fluid flowing in a thin, coherent sheet in the shape of a bell. Experimentally, a water bell is created via the impact of a cylindrical jet on a flat surface. Its shape is set by the splash angle (the separation angle) of the resulting cylindrically symmetric water sheet. The separation angle is altered by adjusting the height of a lip surrounding the impact point, as in a water sprinkler. We drive the lip's height sinusoidally, altering the separation angle, and ringin' the water bell. This forcing generates disturbances on the steady-state water bell that propagate forward and backward in the fluid's reference frame at well-defined velocities, and interact, resulting in the emergence of an interference pattern unique to each steady-state geometry. We analytically model these dynamics by linearizing the amplitude of the bell's response about the underlying curved geometry. This simple model predicts the nodal structure over a wide range of steady-state water bell configurations and driving frequencies. Due to the curved water bell geometry, the nodal structure is quite complex; nevertheless, the predicted nodal structure agrees extremely well with the experimental data. When we drive the bell beyond perturbative separation angles, the nodal locations surprisingly persist, despite the strikingly altered underlying water bell shape. At extreme driving amplitudes the water sheet assumes a rich variety of tortuous, non-convex shapes; nevertheless, the fluid sheet remains intact.

  5. Structure and dynamics of water molecules confined in triglyceride oils.

    PubMed

    Groot, Carien C M; Velikov, Krassimir P; Bakker, Huib J

    2016-10-26

    Though it is commonly known that a small amount of water can be present in triglyceride oil, a molecular picture of how water molecules organize in the oil phase is lacking. We investigate the hydrogen-bond configuration and dynamics of water in triacetin, tributyrin and trioctanoin using linear infrared and time-resolved two-dimensional infrared (2DIR) spectroscopy of the water hydroxyl stretch vibration. We identify water molecules with a single strong hydrogen bond to the triglyceride, water molecules with two weaker hydrogen bonds to the triglycerides, and water clusters. These species do not interconvert on the 20 ps timescale of the experiment, as evidenced by the absence of cross-peaks in the 2DIR spectrum. The vibrational response of water molecules with a single strong hydrogen bond to the triglyceride depends strongly on the excitation frequency, revealing the presence of different subspecies of singly-bound water molecules that correspond to different hydrogen-bond locations. In contrast, the water molecules with two weaker hydrogen bonds to the triglyceride correspond to a single, specific hydrogen-bond configuration; these molecules likely bridge the carbonyl groups of adjacent triglyceride molecules, which can have considerable influence on liquid triglyceride properties.

  6. Dynamics of Confined Water Molecules in Aqueous Salt Hydrates

    SciTech Connect

    Werhahn, Jasper C.; Pandelov, S.; Yoo, Soohaeng; Xantheas, Sotiris S.; Iglev, H.

    2011-04-01

    The unusual properties of water are largely dictated by the dynamics of the H bond network. A single water molecule has more H bonding sites than atoms, hence new experimental and theoretical investigations about this peculiar liquid have not ceased to appear. Confinement of water to nanodroplets or small molecular clusters drastically changes many of the liquid’s properties. Such confined water plays a major role in the solvation of macro molecules such as proteins and can even be essential to their properties. Despite the vast results available on bulk and confined water, discussions about the correlation between spectral and structural properties continue to this day. The fast relaxation of the OH stretching vibration in bulk water, and the variance of sample geometries in the experiments on confined water obfuscate definite interpretation of the spectroscopic results in terms of structural parameters. We present first time-resolved investigations on a new model system that is ideally suited to overcome many of the problems faced in spectroscopical investigation of the H bond network of water. Aqueous hydrates of inorganic salts provide water molecules in a crystal grid, that enables unambiguous correlations of spectroscopic and structural features. Furthermore, the confined water clusters are well isolated from each other in the crystal matrix, so different degrees of confinement can be achieved by selection of the appropriate salt.

  7. Droplet Growth Dynamics in a Water/Oil/Surfactant System.

    PubMed

    Teramoto, Takashi; Yonezawa, Fumiko

    2001-03-15

    We have studied the droplet growth dynamics in a water-oil-surfactant system, using the cell dynamics system simulations based on the time-dependent Ginzburg-Landau model with two order parameters. Our simulations are carried out in a two-dimensional system of uneven composition of water and oil. For various average surfactant concentrations, the spatial patterns and their time evolution are obtained. The Ostwald ripening behaviors in the sparse regime of the droplet distributions are obtained. Numerical simulations are also extended to the dense regime so that the interactions between the droplet domains cannot be neglected. In such a system, the dynamics of pattern formation become significantly slow as the average surfactant concentration increases and we cannot apply the familiar scaling law in this case. Copyright 2001 Academic Press.

  8. Molecular dynamics simulations of lysozyme in water/sugar solutions

    NASA Astrophysics Data System (ADS)

    Lerbret, A.; Affouard, F.; Bordat, P.; Hédoux, A.; Guinet, Y.; Descamps, M.

    2008-04-01

    Structural and dynamical properties of the solvent at the protein/solvent interface have been investigated by molecular dynamics simulations of lysozyme in trehalose, maltose and sucrose solutions. Results are discussed in the framework of the bioprotection phenomena. The analysis of the relative concentration of water oxygen atoms around lysozyme suggests that lysozyme is preferentially hydrated. When comparing the three sugars, trehalose is seen more excluded than maltose and sucrose. The preferential exclusion of sugars from the protein surface induces some differences in the behavior of trehalose and maltose, particularly at 50 and 60 wt% concentrations, that are not observed experimentally in binary sugar/mixtures. The dynamical slowing down of the solvent is suggested to mainly arise from the homogeneity of the water/sugar matrices controlled by the percolation of the sugar hydrogen bonds networks. Furthermore, lysozyme strongly increases relaxation times of solvent molecules at the protein/solvent interface.

  9. Electronic Excitation Dynamics in Liquid Water under Proton Irradiation

    PubMed Central

    Reeves, Kyle G.; Kanai, Yosuke

    2017-01-01

    Molecular behaviour of liquid water under proton irradiation is of great importance to a number of technological and medical applications. The highly energetic proton generates a time-varying field that is highly localized and heterogeneous at the molecular scale, and massive electronic excitations are produced as a result of the field-matter interaction. Using first-principles quantum dynamics simulations, we reveal details of how electrons are dynamically excited through non-equilibrium energy transfer from highly energetic protons in liquid water on the atto/femto-second time scale. Water molecules along the path of the energetic proton undergo ionization at individual molecular level, and the excitation primarily derives from lone pair electrons on the oxygen atom of water molecules. A reduced charge state on the energetic proton in the condensed phase of water results in the strongly suppressed electronic response when compared to water molecules in the gas phase. These molecular-level findings provide important insights into understanding the water radiolysis process under proton irradiation. PMID:28084420

  10. Electronic Excitation Dynamics in Liquid Water under Proton Irradiation

    NASA Astrophysics Data System (ADS)

    Reeves, Kyle G.; Kanai, Yosuke

    2017-01-01

    Molecular behaviour of liquid water under proton irradiation is of great importance to a number of technological and medical applications. The highly energetic proton generates a time-varying field that is highly localized and heterogeneous at the molecular scale, and massive electronic excitations are produced as a result of the field-matter interaction. Using first-principles quantum dynamics simulations, we reveal details of how electrons are dynamically excited through non-equilibrium energy transfer from highly energetic protons in liquid water on the atto/femto-second time scale. Water molecules along the path of the energetic proton undergo ionization at individual molecular level, and the excitation primarily derives from lone pair electrons on the oxygen atom of water molecules. A reduced charge state on the energetic proton in the condensed phase of water results in the strongly suppressed electronic response when compared to water molecules in the gas phase. These molecular-level findings provide important insights into understanding the water radiolysis process under proton irradiation.

  11. Understanding the dynamics of water availability and use in China

    SciTech Connect

    Thomas, R.P.; Conrad, S.H.; Jeppesen, D.M.; Engi, E.

    1997-07-01

    This report presents the preliminary results of an analysis of China`s water resources, part of an effort undertaken by the National Intelligence Council Medea scientists to improve the understanding of future food production and consumption in the People`s Republic of China. A dynamic water model was developed to simulate the hydrological budgetary processes in five river drainage basins located in northeastern, central, and southern China: the Chang Jiang (Yangtse River), Huanghe (Yellow River), Haihe, Huaihe, and Liaohe. The model was designed to assess the effects of changes in urban, industrial, and agricultural water use requirements on the availability of water in each basin and to develop estimates of the water surpluses and/or deficits in China through the year 2025. The model imposes a sustainable yield constraint, that is, groundwater extraction is not allowed to exceed the sustainable yield; if the available water does not meet the total water use requirements, a deficit results. An agronomic model was also developed to generate projections of the water required to service China`s agricultural sector and compare China`s projected grain production with projected grain consumption requirements to estimate any grain surplus and/or deficit. In future refinements, the agronomic model will interface directly with the water model to provide for the exchange of information on projected water use requirements and available water. The preliminary results indicate that the Chang Jiang basin will have a substantial surplus of water through 2025 and that the Haihe basin is in an ongoing situation. The agricultural water use requirements based on grain production indicate that an agricultural water deficit in the Haihe basin begins before the onset of the modeling period (1980) and steadily worsens through 2025. This assumption is confirmed by reports that groundwater mining is already under way in the most intensely cultivated and populated areas of northern China.

  12. Constructing covalent organic frameworks in water via dynamic covalent bonding

    PubMed Central

    Thote, Jayshri; Barike Aiyappa, Harshitha; Rahul Kumar, Raya; Kandambeth, Sharath; Biswal, Bishnu P.; Balaji Shinde, Digambar; Chaki Roy, Neha; Banerjee, Rahul

    2016-01-01

    The formation of keto-enamine based crystalline, porous polymers in water is investigated for the first time. Facile access to the Schiff base reaction in water has been exploited to synthesize stable porous structures using the principles of Dynamic Covalent Chemistry (DCC). Most credibly, the water-based Covalent Organic Frameworks (COFs) possess chemical as well as physical properties such as crystallinity, surface area and porosity, which is comparable to their solvothermal counterparts. The formation of COFs in water is further investigated by understanding the nature of the monomers formed using hydroxy and non-hydroxy analogues of the aldehyde. This synthetic route paves a new way to synthesize COFs using a viable, greener route by utilization of the DCC principles in conjunction with the keto–enol tautomerism to synthesize useful, stable and porous COFs in water. PMID:27840679

  13. Ionization dynamics of small water clusters: Proton transfer rate

    NASA Astrophysics Data System (ADS)

    Tachikawa, Hiroto; Takada, Tomoya

    2016-08-01

    The surfaces of icy planets and comets are composed of frozen water (H2O), carbon dioxide (CO2), and methane (CH4). These surfaces are irradiated by solar wind and cosmic rays from the interstellar space and they cause ionization of surface molecules. In this report, the effects of ionization of cold water clusters have been investigated using a direct ab initio molecular dynamics (AIMD) method to elucidate the rate of proton transfer (PT) in cations of small water clusters (H2O)n (n = 2-7). After ionization of the water clusters, PT occurred in all the cluster cations, and dissociation of the OH radical occurred for n = 4-7. The time of PT decreased with increasing the cluster size at n = 2-5 and reached a limiting value at n = 6 and 7. The mechanism of the PT process in ionized water clusters was discussed based on the theoretical results.

  14. Understanding water: Molecular dynamics simulations of solubilized and crystallized myoglobin

    SciTech Connect

    Wei Gu; Garcia, A.E.; Schoenborn, B.P.

    1994-12-31

    Molecular dynamics simulations were performed on CO myoglobin to evaluate the stability of the bound water molecules as determined in a neutron diffraction analysis. The myoglobin structure derived from the neutron analysis provided the starting coordinate set used in the simulations. The simulations show that only a few water molecules are tightly bound to protein atoms, while most solvent molecules are labile, breaking and reforming hydrogen bonds. Comparison between myoglobin in solution and in a single crystal highlighted some of the packing effects on the solvent structure and shows that water solvent plays an indispensable role in protein dynamics and structural stability. The described observations explain some of the differences in the experimental results of protein hydration as observed in NMR, neutron and X-ray diffraction studies.

  15. Protein and water dynamics in bovine serum albumin-water mixtures over wide ranges of composition.

    PubMed

    Panagopoulou, A; Kyritsis, A; Shinyashiki, N; Pissis, P

    2012-04-19

    Dielectric dynamic behavior of bovine serum albumin (BSA)-water mixtures over wide ranges of water fractions, from dry protein until 40 wt % in water, was studied through dielectric relaxation spectroscopy (DRS). The α relaxation associated with the glass transition of the hydrated system was identified. The evolution of the low temperature dielectric relaxation of small polar groups of the protein surface with hydration level results in the enhancement of dielectric response and the decrease of relaxation times, until a critical water fraction, which corresponds to the percolation threshold for protonic conductivity. For water fractions higher than the critical one, the position of the secondary ν relaxation of water saturates in the Arrhenius diagram, while contributions originating from water molecules in excess (uncrystallized water or ice) follow separate relaxation modes slower than the ν relaxation.

  16. The Evolving Properties of Water in a Dynamic Protoplanetary Disk

    NASA Astrophysics Data System (ADS)

    Ciesla, Fred

    2015-08-01

    Protoplanetary disks are dynamic objects, through which mass and angular momentum are transported as part of the final stages of pre-main sequence evolution of their central stars. These disks are also rich chemical factories, in which materials inherited from the interstellar medium are transformed through a series of reactions (involving, gases, solids, ions, and photons) to the eventual building blocks of the planets.The chemical and physical evolution of a protoplanetary disk are intimately connected. Both solids and gases are subjected to large-scale motions associated with disk evolution and diffusion within the gas. Solids also settle toward the disk midplane and migrate inwards due to gravity and gas drag. This dynamical evolution exposes primitive materials to a range of physical conditions (pressure, temperature, radiation environment) within the disk. It is the integrated effects of these environments that define the physical and chemical properties of a solid grain prior to its incorporation into a planetesimal or planet.Water serves as an interesting tracer of this evolution, as it would be processed in a variety of ways within a protoplanetary disk. I will discuss new methods that allow us to trace the dynamical movement of water vapor and ice throughout the lifetime of a protoplanetary disk and to determine the physical environments to which the water would be exposed. In particular, I will show how the early evolution of a protoplanetary disk impacts the D/H ratio of the water inherited by planetary materials. I will also explore how photodesorption of water by UV photons can lead to the formation of amorphous ice and thus the trapping of noble gases and other volatiles at levels that are much greater than predicted by equilibrium chemistry models. These effects combine to lead to constantly evolving properties of water during the early stages of planet formation. I will also discuss how the observed properties of Solar System bodies constrain these

  17. Water and Backbone Dynamics in a Hydrated Protein

    PubMed Central

    Diakova, Galina; Goddard, Yanina A.; Korb, Jean-Pierre; Bryant, Robert G.

    2010-01-01

    Abstract Rotational immobilization of proteins permits characterization of the internal peptide and water molecule dynamics by magnetic relaxation dispersion spectroscopy. Using different experimental approaches, we have extended measurements of the magnetic field dependence of the proton-spin-lattice-relaxation rate by one decade from 0.01 to 300 MHz for 1H and showed that the underlying dynamics driving the protein 1H spin-lattice relaxation is preserved over 4.5 decades in frequency. This extension is critical to understanding the role of 1H2O in the total proton-spin-relaxation process. The fact that the protein-proton-relaxation-dispersion profile is a power law in frequency with constant coefficient and exponent over nearly 5 decades indicates that the characteristics of the native protein structural fluctuations that cause proton nuclear spin-lattice relaxation are remarkably constant over this wide frequency and length-scale interval. Comparison of protein-proton-spin-lattice-relaxation rate constants in protein gels equilibrated with 2H2O rather than 1H2O shows that water protons make an important contribution to the total spin-lattice relaxation in the middle of this frequency range for hydrated proteins because of water molecule dynamics in the time range of tens of ns. This water contribution is with the motion of relatively rare, long-lived, and perhaps buried water molecules constrained by the confinement. The presence of water molecule reorientational dynamics in the tens of ns range that are sufficient to affect the spin-lattice relaxation driven by 1H dipole-dipole fluctuations should make the local dielectric properties in the protein frequency dependent in a regime relevant to catalytically important kinetic barriers to conformational rearrangements. PMID:20085726

  18. Dynamics and structural changes of small water clusters on ionization.

    PubMed

    Lee, Han Myoung; Kim, Kwang S

    2013-07-05

    Despite utmost importance in understanding water ionization process, reliable theoretical results of structural changes and molecular dynamics (MD) of water clusters on ionization have hardly been reported yet. Here, we investigate the water cations [(H2O)(n = 2-6)(+)] with density functional theory (DFT), Möller-Plesset second-order perturbation theory (MP2), and coupled cluster theory with single, double, and perturbative triple excitations [CCSD(T)]. The complete basis set limits of interaction energies at the CCSD(T) level are reported, and the geometrical structures, electronic properties, and infrared spectra are investigated. The characteristics of structures and spectra of the water cluster cations reflect the formation of the hydronium cation moiety (H3O(+)) and the hydroxyl radical. Although most density functionals fail to predict reasonable energetics of the water cations, some functionals are found to be reliable, in reasonable agreement with high-level ab initio results. To understand the ionization process of water clusters, DFT- and MP2-based Born-Oppenheimer MD (BOMD) simulations are performed on ionization. On ionization, the water clusters tend to have an Eigen-like form with the hydronium cation instead of a Zundel-like form, based on reliable BOMD simulations. For the vertically ionized water hexamer, the relatively stable (H2O)5(+) (5sL4A) cluster tends to form with a detached water molecule (H2O).

  19. Nanosecond Relaxation Dynamics of Hydrated Proteins: Water versus protein contributions

    SciTech Connect

    Khodadadi, S; Curtis, J. E.; Sokolov, Alexei P

    2011-01-01

    We have studied picosecond to nanosecond dynamics of hydrated protein powders using dielectric spectroscopy and molecular dynamics (MD) simulations. Our analysis of hydrogen-atom single particle dynamics from MD simulations focused on main ( main tens of picoseconds) and slow ( slow nanosecond) relaxation processes that were observed in dielectric spectra of similar hydrated protein samples. Traditionally, the interpretation of these processes observed in dielectric spectra has been ascribed to the relaxation behavior of hydration water tightly bounded to a protein and not to protein atoms. Detailed analysis of the MD simulations and comparison to dielectric data indicate that the observed relaxation process in the nanosecond time range of hydrated protein spectra is mainly due to protein atoms. The relaxation processes involve the entire structure of protein including atoms in the protein backbone, side chains, and turns. Both surface and buried protein atoms contribute to the slow processes; however, surface atoms demonstrate slightly faster relaxation dynamics. Analysis of the water molecule residence and dipolar relaxation correlation behavior indicates that the hydration water relaxes at much shorter time scales.

  20. Geochemistry of sedimentary ore deposits

    SciTech Connect

    Maynard, J. B.

    1983-01-01

    A text providing a sedimentological treatment of a study on ore deposits, and especially as related to geochemistry. Excellently documented (about 5000 citations). Well indexed with the index of deposits and localities separated. Contents, Iron. Copper and silver. Aluminum and nickel. Manganese. Uranium. Lead and zinc. Volcanic-sedimentary ores. Appendix. Indexes.

  1. Molecular dynamics simulation of liquid water: Hybrid density functionals

    SciTech Connect

    Todorova, T; Seitsonen, A; Hutter, J; Kuo, W; Mundy, C

    2005-09-12

    The structure, dynamical and electronic properties of liquid water utilizing different hybrid density functionals were tested within the plane wave framework of first principles molecular dynamics simulations. The computational approach, which employs modified functionals with short-ranged Hartree-Fock exchange, was first tested in calculations of the structural and bonding properties of the water dimer and cyclic water trimer. Liquid water simulations were performed at the state point of 350 K at the experimental density. Simulations included three different hybrid functionals, a meta functional, four gradient corrected functionals, the local density and Hartree-Fock approximation. It is found that hybrid functionals are superior in reproducing the experimental structure and dynamical properties as measured by the radial distribution function and self diffusion constant when compared to the pure density functionals. The local density and Hartree-Fock approximations show strongly over- and under-structured liquids, respectively. Hydrogen bond analysis shows that the hybrid functionals give slightly smaller averaged numbers of hydrogen bonds and similar hydrogen bond populations as pure density functionals. The average molecular dipole moments in the liquid from the three hybrid functionals are lower than from the corresponding pure density functionals.

  2. Effects of Dimerization of Serratia marcescens Endonuclease on Water Dynamics.

    SciTech Connect

    Chen, Chuanying; Beck, Brian W.; Krause, Kurt; Weksberg, Tiffany E.; Pettitt, Bernard M.

    2007-02-15

    The research described in this product was performed in part in the Environmental Molecular Sciences Laboratory, a national scientific user facility sponsored by the Department of Energy's Office of Biological and Environmental Research and located at Pacific Northwest National Laboratory. The dynamics and structure of Serratia marcescens endonuclease and its neighboring solvent are investigated by molecular dynamics (MD). Comparisons are made with structural and biochemical experiments. The dimer form is physiologic and functions more processively than the monomer. We previously found a channel formed by connected clusters of waters from the active site to the dimer interface. Here, we show that dimerization clearly changes correlations in the water structure and dynamics in the active site not seen in the monomer. Our results indicate that water at the active sites of the dimer is less affected compared with bulk solvent than in the monomer where it has much slower characteristic relaxation times. Given that water is a required participant in the reaction, this gives a clear advantage to dimerization in the absence of an apparent ability to use both active sites simultaneously.

  3. Dynamic factor analysis for estimating ground water arsenic trends.

    PubMed

    Kuo, Yi-Ming; Chang, Fi-John

    2010-01-01

    Drinking ground water containing high arsenic (As) concentrations has been associated with blackfoot disease and the occurrence of cancer along the southwestern coast of Taiwan. As a result, 28 ground water observation wells were installed to monitor the ground water quality in this area. Dynamic factor analysis (DFA) is used to identify common trends that represent unexplained variability in ground water As concentrations of decommissioned wells and to investigate whether explanatory variables (total organic carbon [TOC], As, alkalinity, ground water elevation, and rainfall) affect the temporal variation in ground water As concentration. The results of the DFA show that rainfall dilutes As concentration in areas under aquacultural and agricultural use. Different combinations of geochemical variables (As, alkalinity, and TOC) of nearby monitoring wells affected the As concentrations of the most decommissioned wells. Model performance was acceptable for 11 wells (coefficient of efficiency >0.50), which represents 52% (11/21) of the decommissioned wells. Based on DFA results, we infer that surface water recharge may be effective for diluting the As concentration, especially in the areas that are relatively far from the coastline. We demonstrate that DFA can effectively identify the important factors and common effects representing unexplained variability common to decommissioned wells on As variation in ground water and extrapolate information from existing monitoring wells to the nearby decommissioned wells.

  4. Time-dependent water dynamics in hydrated uranyl fluoride

    SciTech Connect

    Miskowiec, Andrew J.; Anderson, Brian B.; Herwig, Kenneth W.; Huq, Ashfia; Mamontov, Eugene; Rondinone, Adam; Trowbridge, Lee D.

    2015-09-15

    In this study, uranyl fluoride is a three-layer, hexagonal structure with significant stacking disorder in the c-direction. It supports a range of unsolved ‘thermodynamic’ hydrates with 0–2.5 water molecules per uranium atom, and perhaps more. However, the relationship between water, hydrate crystal structures, and thermodynamic results, collectively representing the chemical pathway through these hydrate structures, has not been sufficiently elucidated. We used high-resolution quasielastic neutron scattering to study the dynamics of water in partially hydrated uranyl fluoride powder over the course of 4 weeks under closed conditions. The spectra are composed of two quasielastic components: one is associated with translational diffusive motion of water that is approximately five to six times slower than bulk water, and the other is a slow (on the order of 2–300 ps), spatially bounded water motion. The translational component represents water diffusing between the weakly bonded layers in the crystal, while the bounded component may represent water trapped in subnanometre ‘pockets’ formed by the space between uranium-centred polymerisation units. Complementary neutron diffraction measurements do not show any significant structural changes, suggesting that a chemical conversion of the material does not occur in the thermodynamically isolated system on this timescale.

  5. Dynamic regulation of aquaporin-4 water channels in neurological disorders

    PubMed Central

    Hsu, Ying; Tran, Minh; Linninger, Andreas A.

    2015-01-01

    Aquaporin-4 water channels play a central role in brain water regulation in neurological disorders. Aquaporin-4 is abundantly expressed at the astroglial endfeet facing the cerebral vasculature and the pial membrane, and both its expression level and subcellular localization significantly influence brain water transport. However, measurements of aquaporin-4 levels in animal models of brain injury often report opposite trends of change at the injury core and the penumbra. Furthermore, aquaporin-4 channels play a beneficial role in brain water clearance in vasogenic edema, but a detrimental role in cytotoxic edema and exacerbate cell swelling. In light of current evidence, we still do not have a complete understanding of the role of aquaporin-4 in brain water transport. In this review, we propose that the regulatory mechanisms of aquaporin-4 at the transcriptional, translational, and post-translational levels jointly regulate water permeability in the short and long time scale after injury. Furthermore, in order to understand why aquaporin-4 channels play opposing roles in cytotoxic and vasogenic edema, we discuss experimental evidence on the dynamically changing osmotic gradients between blood, extracellular space, and the cytosol during the formation of cytotoxic and vasogenic edema. We conclude with an emerging picture of the distinct osmotic environments in cytotoxic and vasogenic edema, and propose that the directions of aquaporin-4-mediated water clearance in these two types of edema are distinct. The difference in water clearance pathways may provide an explanation for the conflicting observations of the roles of aquaporin-4 in edema resolution. PMID:26526878

  6. Time-dependent water dynamics in hydrated uranyl fluoride

    DOE PAGES

    Miskowiec, Andrew J.; Anderson, Brian B.; Herwig, Kenneth W.; ...

    2015-09-15

    In this study, uranyl fluoride is a three-layer, hexagonal structure with significant stacking disorder in the c-direction. It supports a range of unsolved ‘thermodynamic’ hydrates with 0–2.5 water molecules per uranium atom, and perhaps more. However, the relationship between water, hydrate crystal structures, and thermodynamic results, collectively representing the chemical pathway through these hydrate structures, has not been sufficiently elucidated. We used high-resolution quasielastic neutron scattering to study the dynamics of water in partially hydrated uranyl fluoride powder over the course of 4 weeks under closed conditions. The spectra are composed of two quasielastic components: one is associated with translationalmore » diffusive motion of water that is approximately five to six times slower than bulk water, and the other is a slow (on the order of 2–300 ps), spatially bounded water motion. The translational component represents water diffusing between the weakly bonded layers in the crystal, while the bounded component may represent water trapped in subnanometre ‘pockets’ formed by the space between uranium-centred polymerisation units. Complementary neutron diffraction measurements do not show any significant structural changes, suggesting that a chemical conversion of the material does not occur in the thermodynamically isolated system on this timescale.« less

  7. Water Dynamics at Protein-Protein Interfaces: Molecular Dynamics Study of Virus-Host Receptor Complexes.

    PubMed

    Dutta, Priyanka; Botlani, Mohsen; Varma, Sameer

    2014-12-26

    The dynamical properties of water at protein-water interfaces are unlike those in the bulk. Here we utilize molecular dynamics simulations to study water dynamics in interstitial regions between two proteins. We consider two natural protein-protein complexes, one in which the Nipah virus G protein binds to cellular ephrin B2 and the other in which the same G protein binds to ephrin B3. While the two complexes are structurally similar, the two ephrins share only a modest sequence identity of ∼50%. X-ray crystallography also suggests that these interfaces are fairly extensive and contain exceptionally large amounts of waters. We find that while the interstitial waters tend to occupy crystallographic sites, almost all waters exhibit residence times of less than hundred picoseconds in the interstitial region. We also find that while the differences in the sequence of the two ephrins result in quantitative differences in the dynamics of interstitial waters, the trends in the shifts with respect to bulk values are similar. Despite the high wetness of the protein-protein interfaces, the dynamics of interstitial waters are considerably slower compared to the bulk-the interstitial waters diffuse an order of magnitude slower and have 2-3 fold longer hydrogen bond lifetimes and 2-1000 fold slower dipole relaxation rates. To understand the role of interstitial waters, we examine how implicit solvent models compare against explicit solvent models in producing ephrin-induced shifts in the G conformational density. Ephrin-induced shifts in the G conformational density are critical to the allosteric activation of another viral protein that mediates fusion. We find that in comparison with the explicit solvent model, the implicit solvent model predicts a more compact G-B2 interface, presumably because of the absence of discrete waters at the G-B2 interface. Simultaneously, we find that the two models yield strikingly different induced changes in the G conformational density, even

  8. Molecular Dynamics Simulations of Carbon Nanotubes in Water

    NASA Technical Reports Server (NTRS)

    Walther, J. H.; Jaffe, R.; Halicioglu, T.; Koumoutsakos, P.

    2000-01-01

    We study the hydrophobic/hydrophilic behavior of carbon nanotubes using molecular dynamics simulations. The energetics of the carbon-water interface are mainly dispersive but in the present study augmented with a carbon quadrupole term acting on the charge sites of the water. The simulations indicate that this contribution is negligible in terms of modifying the structural properties of water at the interface. Simulations of two carbon nanotubes in water display a wetting and drying of the interface between the nanotubes depending on their initial spacing. Thus, initial tube spacings of 7 and 8 A resulted in a drying of the interface whereas spacing of > 9 A remain wet during the course of the simulation. Finally, we present a novel particle-particle-particle-mesh algorithm for long range potentials which allows for general (curvilinear) meshes and "black-box" fast solvers by adopting an influence matrix technique.

  9. Utilizing Resistivity Soundings and Forensic Geochemistry to Better Understand the Groundwater Contributions and the Interaction with Surface Water in a Streambed in the Texas Gulf Coast Area

    NASA Astrophysics Data System (ADS)

    Bighash, P.

    2012-12-01

    Water quality and quantity in a reservoir can be significantly affected by interactions between surface waters and adjacent aquifers. Environments that exhibit transient hydraulic conditions, such as changes in recharge and groundwater flow rates, are not well understood. The associated impacts to coastal water resources during elevated drought conditions can be better managed with a better understanding of the groundwater-surface water interaction and the transition zone. Proper characterization of the spatial and temporal extent of groundwater discharge is important for water resource management and contaminant migration pathways. The Texas coastal area has been experiencing exceptional drought conditions over the past few years which are expected to persist or intensify in the coming years. An investigation of how the hydrologic system is impacted by these conditions can be a valuable tool regarding water resource management, sustainability and conservation of the Gulf Coast region of South Texas. This study will be using resistivity soundings to vertically and laterally characterize groundwater-surface water interaction and provide a stratigraphic characterization of the transition zone in this area. Chemical and isotope tracers will be used to compliment the resistivity data in order to trace water sources in the surface water and transition zone. This information can aid in evaluating the extent of interaction and degree of mixing between the surface water and groundwater. The ultimate goal of this research is to provide new valuable information that could help professionals and researchers understand complex processes such as groundwater-surface water interaction using new methods that would improve the speed and accuracy of existing systems or techniques. This multidisciplinary approach can be useful in investigating land use impacts on groundwater inflow and in forecasting the availability of water resources in environmentally sensitive ecosystems such as

  10. Molecular dynamics studies of supercooled water using a monatomic model

    NASA Astrophysics Data System (ADS)

    Moore, Emily Brooke

    There remain many unanswered questions regarding the structure and behavior of water, particularly when cooled below the melting temperature into water's supercooled region. In this region, liquid water is metastable, and rapid crystallization makes it difficult to study experimentally the liquid and the crystallization process. Computational studies are hindered by the complexity of accurately modeling water and the computational cost of simulating processes such as crystallization. In this work, the development and validation of mW, a monatomic water model, is presented. This model is able to quantitatively reproduce the structure, dynamic anomalies and phase behavior of water without hydrogen atoms or electrostatics by reproducing water's propensity to form locally tetrahedral structures. Using the mW water model in molecular dynamics simulations, we show the evolution of the local structure of water from 300--100 K. We find that the thermodynamic and structural properties studied, density, tetrahedrality and structural correlation length, change maximally or are maximum at 202 +/- 2 K, the liquid-liquid transformation temperature. Shifting to water confined within cylindrical nanopores, we present the development of a rotationally invariant method, the CHILL algorithm, to distinguish between liquid, hexagonal and cubic ice. We analyze the process of homogeneous nucleation, growth and melting within hydrophilic pores, as well as the effect of water-pore interaction strength on the melting of ice and liquid-ice coexistence within pores. Crystallization within the nanopores results in cubic ice with hexagonal stacking faults in agreement with experiments. We also investigate crystallization of bulk liquid within water's experimentally inaccessible "no man's land." Crystallization occurs through rapid development of ice nuclei that grow and consolidate, precluding the measurement of diffusion within the liquid. Analysis of how ice structure develops shows that

  11. Dynamics in urban water quality: monitoring the Amsterdam city area

    NASA Astrophysics Data System (ADS)

    van der Vlugt, Corné; Yu, Liang; Rozemeijer, Joachim; van Breukelen, Boris; Ouboter, Maarten; Stuurman, Roelof; Broers, Hans Peter

    2014-05-01

    Urban water quality is influenced by a large number of heterogeneous sources. We aimed to identify solute pathways from different sources in the urban area of Amsterdam, The Netherlands. The city is situated in the Dutch delta, and largely below mean sea level. The water system of the centre of the city is connected to the large fresh water lake Ijsselmeer, but suburbs are mainly located within reclaimed lake and polder areas where water is pumped out in order to maintain the water levels, which are generally 1 tot 4 m. below sea level. Sources of water include: urban storm runoff, inlet water from the Ijsselmeer and surrounding areas, groundwater seepage and possibly also leaking sewage systems. The temporal dynamics and spatial patterns related to these flow routes and sources were largely unknown to date. Water quality is measured at those pumping stations systematically each month. We analysed the pumping discharge data and the concentration data to calculate daily water balances and annual load estimates for HCO3,Ca, Cl, Na, SO4, Ptot, Ntot ,NH4, NH3 and NO3. Chloride appears to be a good tracer to identify inlet water and bicarbonate and DIC were effective to estimate the groundwater contribution to the surface water outflow to the regional system. We were able to improve the solute balances by calibrating the measured temporal patterns of chloride and DIC using known concentrations from the individual sources. Subsequently the water balances where used to identify periods where one of the sources was dominant and by doing so we improved our understanding of the dynamics of N, P and S fluxes and the relations with dry and wet meteorological conditions. It appeared that N and P were largely related to groundwater outflow , whereas S was mainly related to dry periods and shallow flow routes influenced by sewage, urban storm runoff and shallow groundwater flow . The results are used to optimize urban water management which benefits from the improved insight in

  12. Questa baseline and pre-mining ground-water quality investigation. 5. Well installation, water-level data, and surface- and ground-water geochemistry in the Straight Creek drainage basin, Red River Valley, New Mexico, 2001-03

    USGS Publications Warehouse

    Naus, Cheryl A.; McCleskey, R. Blaine; Nordstrom, D. Kirk; Donohoe, Lisa C.; Hunt, Andrew G.; Paillet, Frederick L.; Morin, Roger H.; Verplanck, Philip L.

    2005-01-01

    The U.S. Geological Survey, in cooperation with the New Mexico Environment Department, is investigating the pre-mining ground-water chemistry at the Molycorp molybdenum mine in the Red River Valley, northern New Mexico. The primary approach is to determine the processes controlling ground-water chemistry at an unmined, off-site, proximal analog. The Straight Creek drainage basin, chosen for this purpose, consists of the same quartz-sericite-pyrite altered andesitic and rhyolitic volcanic rock of Tertiary age as the mine site. The weathered and rugged volcanic bedrock surface is overlain by heterogeneous debris-flow deposits that interfinger with alluvial deposits near the confluence of Straight Creek and the Red River. Pyritized rock in the upper part of the drainage basin is the source of acid rock drainage (pH 2.8-3.3) that infiltrates debris-flow deposits containing acidic ground water (pH 3.0-4.0) and bedrock containing water of circumneutral pH values (5.6-7.7). Eleven observation wells were installed in the Straight Creek drainage basin. The wells were completed in debris-flow deposits, bedrock, and interfingering debris-flow and Red River alluvial deposits. Chemical analyses of ground water from these wells, combined with chemical analyses of surface water, water-level data, and lithologic and geophysical logs, provided information used to develop an understanding of the processes contributing to the chemistry of ground water in the Straight Creek drainage basin. Surface- and ground-water samples were routinely collected for determination of total major cations and selected trace metals; dissolved major cations, selected trace metals, and rare-earth elements; anions and alkalinity; and dissolved-iron species. Rare-earth elements were determined on selected samples only. Samples were collected for determination of dissolved organic carbon, mercury, sulfur isotopic composition (34S and 18O of sulfate), and water isotopic composition (2H and 18O) during

  13. Dynamic Ice-Water Interactions Form Europa's Chaos Terrains

    NASA Astrophysics Data System (ADS)

    Blankenship, D. D.; Schmidt, B. E.; Patterson, G. W.; Schenk, P.

    2011-12-01

    Unique to the surface of Europa, chaos terrain is diagnostic of the properties and dynamics of its icy shell. We present a new model that suggests large melt lenses form within the shell and that water-ice interactions above and within these lenses drive the production of chaos. This model is consistent with key observations of chaos, predicts observables for future missions, and indicates that the surface is likely still active today[1]. We apply lessons from ice-water interaction in the terrestrial cryosphere to hypothesize a dynamic lense-collapse model to for Europa's chaos terrain. Chaos terrain morphology, like that of Conamara chaos and Thera Macula, suggests a four-phase formation [1]: 1) Surface deflection occurs as ice melts over ascending thermal plumes, as regularly occurs on Earth as subglacial volcanoes activate. The same process can occur at Europa if thermal plumes cause pressure melt as they cross ice-impurity eutectics. 2) Resulting hydraulic gradients and driving forces produce a sealed, pressurized melt lense, akin to the hydraulic sealing of subglacial caldera lakes. On Europa, the water cannot escape the lense due to the horizontally continuous ice shell. 3) Extension of the brittle ice lid above the lense opens cracks, allowing for the ice to be hydrofractured by pressurized water. Fracture, brine injection and percolation within the ice and possible iceberg toppling produces ice-melange-like granular matrix material. 4) Refreezing of the melt lense and brine-filled pores and cracks within the matrix results in raised chaos. Brine soaking and injection concentrates the ice in brines and adds water volume to the shell. As this englacial water freezes, the now water-filled ice will expand, not unlike the process of forming pingos and other "expansion ice" phenomena on Earth. The refreezing can raise the surface and create the oft-observed matrix "domes" In this presentation, we describe how catastrophic ice-water interactions on Earth have

  14. Three-dimensional picture of dynamical structure in liquid water

    NASA Astrophysics Data System (ADS)

    Svishchev, Igor M.; Zassetsky, Alexander Yu.

    2000-01-01

    This paper presents a methodology with which to study the local density distributions in molecular liquids and their fluctuations in any spatial direction. The distinct part of the van Hove density-density correlation function for liquid water is calculated in molecular dynamics simulations. Because of the pronounced nonspherical intermolecular interactions this pair-density function is direction dependent in the local molecular frame. We explicitly resolve the distinct van Hove function in the local frame of water molecules. The dynamics of the tetrahedrally coordinated (hydrogen bonded) and the interstitial molecules in liquid water are examined. The spectrum of the pair-density fluctuations for the tetrahedrally coordinated molecules in supercooled and ambient water exhibits a well-known translational mode at 200 cm-1 and a collective relaxation mode at lower frequencies, at approximately 10 cm-1 at 263 K. The correlation time of this relaxation process decreases with temperature, from 2.2 ps at 238 K to 1.4 ps at 298 K. The spectrum for the interstitial coordination also features a 10 cm-1 mode. It represents a secondary relaxation process in water different from a much slower Debye process. As temperature increases this relaxation mode tends to disappear from the pair-density fluctuations.

  15. Linear and nonlinear dynamics of longshore currents in shallow water

    NASA Astrophysics Data System (ADS)

    Li, Ye; Choi, Wooyoung

    2003-11-01

    The linear instability of shear flows in shallow water has been extensively studied under the rigid-lid assumption and has been known to play an important role on the dynamics of longshore currents, after the work by Bowen & Holman (1989). Here both analytical and numerical studies on the linear instability of various longshore currents are carried out and special attentions are paid to the effect of free surface on unstable currents. The full shallow water equations are then solved numerically to further describe the evolution of unstable shear waves beyond the linear regime.

  16. Energy deposition dynamics of femtosecond pulses in water

    SciTech Connect

    Minardi, Stefano Pertsch, Thomas; Milián, Carles; Couairon, Arnaud; Majus, Donatas; Tamošauskas, Gintaras; Dubietis, Audrius; Gopal, Amrutha

    2014-12-01

    We exploit inverse Raman scattering and solvated electron absorption to perform a quantitative characterization of the energy loss and ionization dynamics in water with tightly focused near-infrared femtosecond pulses. A comparison between experimental data and numerical simulations suggests that the ionization energy of water is 8 eV, rather than the commonly used value of 6.5 eV. We also introduce an equation for the Raman gain valid for ultra-short pulses that validates our experimental procedure.

  17. Shock induced phase transition of water: Molecular dynamics investigation

    SciTech Connect

    Neogi, Anupam; Mitra, Nilanjan

    2016-02-15

    Molecular dynamics simulations were carried out using numerous force potentials to investigate the shock induced phenomenon of pure bulk liquid water. Partial phase transition was observed at single shock velocity of 4.0 km/s without requirement of any external nucleators. Change in thermodynamic variables along with radial distribution function plots and spectral analysis revealed for the first time in the literature, within the context of molecular dynamic simulations, the thermodynamic pathway leading to formation of ice VII from liquid water on shock loading. The study also revealed information for the first time in the literature about the statistical time-frame after passage of shock in which ice VII formation can be observed and variations in degree of crystallinity of the sample over the entire simulation time of 100 ns.

  18. History of the recognition of organic geochemistry in geoscience

    USGS Publications Warehouse

    Kvenvolden, K.A.

    2002-01-01

    The discipline of organic geochemistry is an outgrowth of the application of the principles and methods of organic chemistry to sedimentary geology. Its origin goes back to the last part of the nineteenth century and the first part of the twentieth century concurrent with the evolution of the applied discipline of petroleum geochemistry. In fact, organic geochemistry was strongly influenced by developments in petroleum geochemistry. Now, however, organic geochemistry is considered an umbrella geoscience discipline of which petroleum geochemistry is an important component.

  19. Dynamics of water and salt exchange at Maryland Coastal Bays

    NASA Astrophysics Data System (ADS)

    Kang, Xinyi; Xia, Meng; Pitula, Joseph S.; Chigbu, Paulinus

    2017-04-01

    The exchange processes between the Maryland Coastal Bays system (MCBs) and their adjacent coastal ocean were simulated using a three-dimensional unstructured-grid based hydrodynamic model, which was validated by observed data including water level, current velocity and salinity. Idealized experiments were then carried out to investigate the impact of wind forcing on water exchange and salt flux. Through these experiments, the exchanges between the MCBs and coastal ocean were investigated at two inlets (Ocean City Inlet and Chincoteague Inlet). Given that winds and tides are two key external forces known to impact estuarine dynamics, the effect of each individual force on the exchange processes was studied to evaluate the corresponding influence on the inlet dynamics. It was found that wind forcing significantly impacts the inlet dynamics: the effect of wind directions on exchange processes under strong wind speeds is substantial; for example, northwesterly winds push flux to the southern part of the bays, while southwesterly winds pile up flux towards northern Chincoteague Bay. The effect of wind forcing on the exchange dynamics becomes stronger with the augmentation of its speed. Meanwhile, tidal forcing is the major driver of exchange dynamics at weak wind speeds (e.g., 3 m/s), and its effect on exchange process gradually weakens with stronger wind speeds (e.g., 7 m/s, 15 m/s). In addition, sensitivity tests elucidated that closing either inlet results in a significant impact on the water elevation, current velocity and salinity nearby the relevant cut-off inlet areas.

  20. Variational path integral molecular dynamics study of a water molecule

    NASA Astrophysics Data System (ADS)

    Miura, Shinichi

    2013-08-01

    In the present study, a variational path integral molecular dynamics method developed by the author [Chem. Phys. Lett. 482, 165 (2009)] is applied to a water molecule on the adiabatic potential energy surface. The method numerically generates an exact wavefunction using a trial wavefunction of the target system. It has been shown that even if a poor trial wavefunction is employed, the exact quantum distribution is numerically extracted, demonstrating the robustness of the variational path integral method.

  1. Dynamic contact angle of water-based titanium oxide nanofluid.

    PubMed

    Radiom, Milad; Yang, Chun; Chan, Weng Kong

    2013-06-11

    This paper presents an investigation into spreading dynamics and dynamic contact angle of TiO2-deionized water nanofluids. Two mechanisms of energy dissipation, (1) contact line friction and (2) wedge film viscosity, govern the dynamics of contact line motion. The primary stage of spreading has the contact line friction as the dominant dissipative mechanism. At the secondary stage of spreading, the wedge film viscosity is the dominant dissipative mechanism. A theoretical model based on combination of molecular kinetic theory and hydrodynamic theory which incorporates non-Newtonian viscosity of solutions is used. The model agreement with experimental data is reasonable. Complex interparticle interactions, local pinning of the contact line, and variations in solid-liquid interfacial tension are attributed to errors.

  2. Evaporation dynamics of water droplets on inclined surfaces

    NASA Astrophysics Data System (ADS)

    Kim, Jin Young; Hwang, In Gyu; Weon, Byung Mook

    2016-11-01

    When a water droplet is gently placed on a flat substrate, particularly which is tilted at an inclined angle, usually there are advancing and receding angles inside the droplet formed by inclination under gravitational force. Evaporation dynamics of an nonspherical inclined droplet at inclinations would deviate from that of a spherical droplet. Here we study on evaporation dynamics rates of inclined droplets by measuring mass changes with time and their lifetimes. We find that the lifetime of an evaporating inclined droplets becomes longer as the gravitational influence becomes stronger. The lifetime depends on the pinning-depinning transitions and the depinning onset times, which are changed by the gravitational influence. This The dependence inclination-induced evaporation behavior would be useful important in understanding evaporation dynamics of inclined droplets. This research was supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Education (NRF-2016R1D1A1B01007133).

  3. Dynamic contact angle of water-based titanium oxide nanofluid

    PubMed Central

    2013-01-01

    This paper presents an investigation into spreading dynamics and dynamic contact angle of TiO2-deionized water nanofluids. Two mechanisms of energy dissipation, (1) contact line friction and (2) wedge film viscosity, govern the dynamics of contact line motion. The primary stage of spreading has the contact line friction as the dominant dissipative mechanism. At the secondary stage of spreading, the wedge film viscosity is the dominant dissipative mechanism. A theoretical model based on combination of molecular kinetic theory and hydrodynamic theory which incorporates non-Newtonian viscosity of solutions is used. The model agreement with experimental data is reasonable. Complex interparticle interactions, local pinning of the contact line, and variations in solid–liquid interfacial tension are attributed to errors. PMID:23759071

  4. Protein-water dynamics in antifreeze protein III activity

    NASA Astrophysics Data System (ADS)

    Xu, Yao; Bäumer, Alexander; Meister, Konrad; Bischak, Connor G.; DeVries, Arthur L.; Leitner, David M.; Havenith, Martina

    2016-03-01

    We combine Terahertz absorption spectroscopy (THz) and molecular dynamics (MD) simulations to investigate the underlying molecular mechanism for the antifreeze activity of one class of antifreeze protein, antifreeze protein type III (AFP-III) with a focus on the collective water hydrogen bond dynamics near the protein. After summarizing our previous work on AFPs, we present a new investigation of the effects of cosolutes on protein antifreeze activity by adding sodium citrate to the protein solution of AFP-III. Our results reveal that for AFP-III, unlike some other AFPs, the addition of the osmolyte sodium citrate does not affect the hydrogen bond dynamics at the protein surface significantly, as indicated by concentration dependent THz measurements. The present data, in combination with our previous THz measurements and molecular simulations, confirm that while long-range solvent perturbation is a necessary condition for the antifreeze activity of AFP-III, the local binding affinity determines the size of the hysteresis.

  5. Dynamic simulation of water resources in an urban wetland based on coupled water quantity and water quality models.

    PubMed

    Zeng, Weibo; Xu, Youpeng; Deng, Xiaojun; Han, Longfei; Zhang, Qianyu

    2015-01-01

    Water quality in wetlands plays a huge role in maintaining the health of the wetland ecosystem. Water quality should be controlled by an appropriate water allocation policy for the protection of the wetlands. In this paper, models of rainfall/runoff, non-point source pollution load, water quantity/quality, and dynamic pollutant-carrying capacity were established to simulate the water quantity/quality of Xixi-wetland river network (in the Taihu basin, China). The simulation results showed a satisfactory agreement with field observations. Furthermore, a 'node-river-node' algorithm that adjusts to the 'Three Steps Method' was adopted to improve the dynamic pollutant-carrying capacity model and simulate the pollutant-carrying capacity in benchmark years. The simulation result shows that the water quality of the river network could reach class III stably all year round if the anthropogenic pollution is reduced to one-third of the current annual amount. Further investigation estimated the minimum amount of water diversion in benchmark years under the reasonable water quantity-regulating rule to keep water quality as class III. With comparison of the designed scale, the water diversion can be reduced by 184 million m3 for a dry year, 191 million m3 for a normal year, and 198 million m3 for a wet year.

  6. Dynamics of the global virtual water trade network

    NASA Astrophysics Data System (ADS)

    Dalin, C.; Konar, M.; Hanasaki, N.; Rodriguez-Iturbe, I.

    2011-12-01

    Water resources are under increasing pressure from population growth, socio-economic development and climate change. Since agriculture is by far the most freshwater-consuming process, the international food trade may be a way of transferring water resources to water-scarce countries, and of saving water globally by encouraging trade from water-efficient countries to less water-efficient countries. We applied complex network theory to analyze the dynamics of the global virtual water trade network. Our goal was to assess how the properties of the virtual water trade network changed in time, and how these changes are related to national policies, economic and weather conditions or events. We found that, on average, the number of trade partners of each country in the network doubled from 1986 to 2007, while the volume of water associated with food trade tripled. Despite this growth of the network, we found that the shape of the network properties distributions remained similar: for all years studied, the degree distribution is well fitted by an exponential distribution and the strength distribution compares well with a stretched exponential distribution, indicating high heterogeneity of flows between nations. Other global network structure characteristics, such as the power law relationship between node strength and node degree, dissasortative behavior and weighted rich club phenomenon were also stable through the 22 year-period. However, there are significant changes at the country and link scale of analysis. The USA has remained the world's top exporter of virtual water, while, since 2001, China has been the world's largest virtual water importer, a position formerly occupied by Russia and Japan. The sharp increase in China's virtual water imports is mostly due to its increased soybean imports, following a domestic policy shift regarding the soy trade in 2000 and 2001. Importantly, the food trade has led to enhanced savings in global water resources over the last few

  7. Geochemistry and magnetic measurements of suspended sediment in urban sewage water vis-à-vis quantification of heavy metal pollution in Ganga and Yamuna Rivers, India.

    PubMed

    Chakarvorty, Munmun; Dwivedi, Akhil Kumar; Shukla, Anil Dutt; Kumar, Sujeet; Niyogi, Ambalika; Usmani, Mavera; Pati, Jayanta Kumar

    2015-09-01

    Sewage water is becoming a key source of heavy metal toxicity in large river systems worldwide and the two major Himalayan Rivers in India (Ganga and Yamuna) are severely affected. The high population density in the river banks combined with increased anthropogenic and industrial activities is contributing to the heavy metal pollution in these rivers. Geochemical data shows a significant increase in the concentration of all heavy metals (Pb, 48-86 ppm; Zn, 360-834 ppm; V, 45-101 ppm; Ni, 20-143 ppm; Cr, 79-266 ppm; Co, 8.62-22.12 ppm and Mn, 313-603 ppm) in sewage and mixed water (sewage and river water confluence site) samples due to increased effluent discharge from the catchment area. The ΣREE content of sewage water (129 ppm) is lower than the average mixed water samples (142 ppm). However, all the samples show similar REE pattern. The mass magnetic susceptibility (Xlf) values of suspended sediments (28 to 1000 × 10(-8) m(3) kg(-1)) indicate variable concentration of heavy metals. The Xlf values show faint positive correlation with their respective bulk heavy metal contents in a limited sample population. The present study comprising geochemical analysis and first magnetic measurement data of suspended sediments in water samples shows a strongly polluted nature of Ganga and Yamuna Rivers at Allahabad contrary to the previous report mainly caused by overtly polluted city sewage water.

  8. Dynamic Stackelberg game model for water rationalization in drought emergency

    NASA Astrophysics Data System (ADS)

    Kicsiny, R.; Piscopo, V.; Scarelli, A.; Varga, Z.

    2014-09-01

    In water resource management, in case of a limited resource, there is a conflict situation between different consumers. In this paper, a dynamic game-theoretical model is suggested for the solution of such conflict. Let us suppose that in a region, water supply is based on a given aquifer, from which a quantity of effective reserve can be used without damaging the aquifer, and a long drought is foreseen. The use of water is divided between the social sector represented by the local authority, and the production sector, in our case, simplified to a single agricultural producer using water for irrigation; they are the players in the game. For a fixed time period, every day, a given amount is available, from which first the authority, then the producer takes a proportion, which corresponds to the strategy choices of the players. A price function is given, which depends on the total available reserve, the payoffs of both players are quantified as their net incomes for the whole period: for the producer: profit from selling the product minus price of water and tax paid, for the authority: tax received plus the gain for the authority from selling the water bought to the social sector minus price of water purchased. A solution (equilibrium) of the game consists of such strategy choices of both players, with which each player maximizes her/his total payoff (over the whole time horizon of the game) provided that the other player also maximizes her/his own payoff. In the paper, in a mathematical model for the above conflict situation, a deterministic continuum-strategy two-player discrete-time dynamic Stackelberg game with fixed finite time duration and closed-loop information structure is proposed, where the authority is “leader” and the producer is “follower”. The algorithms for the solution of the game are based on recent theoretical results of the authors. Illustrative numerical examples are also given.

  9. Analysis of the ground-water flow system, geochemistry, and underseepage in the vicinity of the Red Rock Dam near Pella, Iowa

    USGS Publications Warehouse

    Lucey, K.J.

    1991-01-01

    The increased hydraulic head imposed on the system by the impounded waters of Lake Red Rock causes recharge and flow to the deeper bedrock aquifers in the immediate vicinity of the dam. This effect is manifested in the observation wells along and downstream from the dam axis, implying flow through the grout curtain in the bedrock foundation of the dam. There is potential for dissolution of the gypsum and anhydrite in the bedrock foundation, because reservoir water and shallow ground water in the vicinity of the dam are undersaturated with respect to these evaporite minerals.

  10. Hydrology and geochemistry of a slag-affected aquifer and chemical characteristics of slag-affected ground water, northwestern Indiana and northeastern Illinois

    USGS Publications Warehouse

    Bayless, E. Randall; Greeman, T.K.; Harvey, C.C.

    1998-01-01

    Slag is a by-product of steel manufacturing and a ubiquitous fill material in northwestern Indiana. Ground water associated with slag deposits generally is characterized by high pH and elevated concentrations of many inorganic water-quality constituents. The U.S. Geological Survey, in cooperation with the Indiana Department of Environmental Management, conducted a study in northwestern Indiana from June 1995 to September 1996 to improve understanding of the effects of slag deposits on the water quality of a glacial-outwash aquifer. The Bairstow Landfill, a slag-fill deposit overlying the Calumet aquifer near Hammond, Indiana, was studied to represent conditions in slag-deposit settings that are common in northwestern Indiana. Ground water from 10 observation wells, located in four nests at the site, and surface water from the adjacent Lake George were analyzed for values of field-measured parameters and concentrations of major ions, nutrients, trace elements, and bulk properties. Solid-phase samples of slag and aquifer sediment collected during drilling were examined with X-ray diffraction and geochemical digestion and analysis. Concentrations of calcium, potassium, sodium, and sulfate were highest in wells screened partly or fully in slag. Potassium concentrations in ground water ranged from 2.9 to 120 milligrams per liter (mg/L), were highest in water from slag deposits, and decreased with depth. The highest concentrations for aluminum, barium, molybdenum, nickel, and selenium were in water from the slag. Silica concentrations were highest in wells screened directly beneath the slag?aquifer interface, and magnesium concentrations were highest in intermediate and deep aquifer wells. Silica concentrations in shallow and intermediate aquifer wells ranged from 27 to 41 mg/L and were about 10 times greater than those in water from slag deposits. The highest concentrations for chromium, lead, and zinc were in ground water from immediately below the slag

  11. Molecular dynamics simulation of water at mineral surfaces: Structure, dynamics, energetics and hydrogen bonding

    NASA Astrophysics Data System (ADS)

    Kalinichev, A. G.; Wang, J.; Kirkpatrick, R.

    2006-05-01

    Fundamental molecular-level understanding of the properties of aqueous mineral interfaces is of great importance for many geochemical and environmental systems. Interaction between water and mineral surfaces substantially affects the properties of both phases, including the reactivity and functionality of the substrate surface, and the structure, dynamics, and energetics of the near surface aqueous phase. Experimental studies of interfacial water structure and dynamics using surface-sensitive techniques such as sum-frequency vibrational spectroscopy or X-ray and neutron reflectivity are not always possible for many practically important substrates, and their results often require interpretation concerning the atomistic mechanisms responsible for the observed behavior. Molecular computer simulations can provide new insight into the underlying molecular- level relationships between the inorganic substrate structure and composition and the structure, ordering, and dynamics of interfacial water. We have performed a series of molecular dynamics (MD) computer simulations of aqueous interfaces with several silicates (quartz, muscovite, and talc) and hydroxides (brucite, portlandite, gibbsite, Ca/Al and Mg/Al double hydroxides) to quantify the effects of the substrate mineral structure and composition on the structural, transport, and thermodynamic properties of water on these mineral surfaces. Due to the prevalent effects of the development of well-interconnected H-bonding networks across the mineral- water interfaces, all the hydroxide surfaces (including a fully hydroxylated quartz surface) show very similar H2O density profiles perpendicular to the interface. However, the predominant orientations of the interfacial H2O molecules and their detailed 2-dimensional near-surface structure and dynamics parallel to the interface are quite different reflecting the differences in the substrate structural charge distribution and the density and orientations of the surface OH

  12. HYDROGIOLOGIC FRAMEWORK, GROUND-WATER GEOCHEMISTRY, AND ASSESSMENT OF NITROGEN YIELD FROM BASE FLOW IN TWO AGRICULTURAL WATERSHEDS, KENT COUNTY, MARYLAND

    EPA Science Inventory

    Hydrostratigraphic and geochemical data collected in two adjacent watersheds on the Delmarva Peninsula, in Kent County, Maryland, indicate that shallow subsurface stratigraphy is an important factor that affects the concentrations of nitrogen in ground water discharging as stream...

  13. Hydro-geochemistry and application of water quality index (WQI) for groundwater quality assessment, Anna Nagar, part of Chennai City, Tamil Nadu, India

    NASA Astrophysics Data System (ADS)

    Krishna kumar, S.; Logeshkumaran, A.; Magesh, N. S.; Godson, Prince S.; Chandrasekar, N.

    2015-12-01

    In the present study, the geochemical characteristics of groundwater and drinking water quality has been studied. 24 groundwater samples were collected and analyzed for pH, electrical conductivity, total dissolved solids, carbonate, bicarbonate, chloride, sulphate, nitrate, calcium, magnesium, sodium, potassium and total hardness. The results were evaluated and compared with WHO and BIS water quality standards. The studied results reveal that the groundwater is fresh to brackish and moderately high to hard in nature. Na and Cl are dominant ions among cations and anions. Chloride, calcium and magnesium ions are within the allowable limit except few samples. According to Gibbs diagram, the predominant samples fall in the rock-water interaction dominance and evaporation dominance field. The piper trilinear diagram shows that groundwater samples are Na-Cl and mixed CaMgCl type. Based on the WQI results majority of the samples are falling under excellent to good category and suitable for drinking water purposes.

  14. Sulfur and strontium isotope geochemistry of tributary rivers of Lake Biwa: implications for human impact on the decadal change of lake water quality.

    PubMed

    Nakano, Takanori; Tayasu, Ichiro; Wada, Eitaro; Igeta, Akitake; Hyodo, Fujio; Miura, Yuuta

    2005-06-01

    To study the deterioration of the water quality in Lake Biwa, Japan, over the last 40 years, we measured the concentrations and isotopic ratios of sulfur and strontium of water in 41 inflowing rivers and one discharging river. The concentrations of SO4 and Sr of inflowing rivers at downstream sites were generally high in the southern urban area and in the eastern area, where a large agricultural plain is situated, but low in the northern and western areas, whose watersheds are mountainous and with low population density. SO4 and Sr concentrations are also lower at upstream sites, which are closer to mountainous areas. Thus, the inflowing river receives large amounts of SO4 and Sr as it flows across the plain, where human activity levels are high. The delta34S or 87Sr/86Sr values of most eastern rivers at downstream sites are lower than those of water in Lake Biwa, and values become more uniform as the proportion of the plain area in the watershed increases. River water in other areas has higher values of delta34S or 87Sr/86Sr than the lake water. This result indicates that the decadal decrease of delta34S and 87Sr/86Sr in the lake water has been caused mainly by the increased flux of SO4 and Sr from rivers in the eastern plain. We assume that in the plain, sulfur, nitrogen, and organic compounds induced by human activities generate sulfuric, nitric, and organic acids in the water, which accelerate the extraction of Sr from bedrocks, leading to the generation of Sr in the river water in the area.

  15. Water and rock geochemistry, geologic cross sections, geochemical modeling, and groundwater flow modeling for identifying the source of groundwater to Montezuma Well, a natural spring in central Arizona

    USGS Publications Warehouse

    Johnson, Raymond H.; DeWitt, Ed; Wirt, Laurie; Arnold, L. Rick; Horton, John D.

    2011-01-01

    The National Park Service (NPS) seeks additional information to better understand the source(s) of groundwater and associated groundwater flow paths to Montezuma Well in Montezuma Castle National Monument, central Arizona. The source of water to Montezuma Well, a flowing sinkhole in a desert setting, is poorly understood. Water emerges from the middle limestone facies of the lacustrine Verde Formation, but the precise origin of the water and its travel path are largely unknown. Some have proposed artesian flow to Montezuma Well through the Supai Formation, which is exposed along the eastern margin of the Verde Valley and underlies the Verde Formation. The groundwater recharge zone likely lies above the floor of the Verde Valley somewhere to the north or east of Montezuma Well, where precipitation is more abundant. Additional data from groundwater, surface water, and bedrock geology are required for Montezuma Well and the surrounding region to test the current conceptual ideas, to provide new details on the groundwater flow in the area, and to assist in future management decisions. The results of this research will provide information for long-term water resource management and the protection of water rights.

  16. Environmental geochemistry of shale-hosted Ag-Pb-Zn massive sulfide deposits in northwest Alaska: Natural background concentrations of metals in water from mineralized areas

    USGS Publications Warehouse

    Kelley, K.D.; Taylor, C.D.

    1997-01-01

    Red Dog, Lik and Drenchwater are shale-hosted stratiform Ag-Pb-Zn massive sulfide deposits in the northwestern Brooks Range. Natural background concentrations of metals in waters from the undisturbed (unmined) Drenchwater prospect and Lik deposit were compared to pre-mining baseline studies conducted at Red Dog. The primary factors affecting water chemistry are the extent of exposure of the deposits, the grade of mineralization, the presence of carbonate reeks in the section, and the proportion of Fe-sulfide in the ore. Surface water samples from the Drenchwater prospect, which has pyrite-dominant mineralization exposed in outcrop, have pH values as low as 2.8 and high dissolved concentrations of metals including as much as 95 mg 1-1 Al, 270 mg 1-1 Fe, 8 ??1-1 Cd, 10 ??1-1 Pb, and 2600 ??1-1 Zn, with As up to 26 ??g1-1. Surface waters from the Red Dog deposit prior to mining were also acidic and metal-rich, however, dissolved metal concentrations in Red Dog waters were many times greater. The higher metal concentrations in Red Dog waters reflect the high Zn grades and the abundant sphalerite, pyrite, and galena that were present in outcrop prior to mining. In contrast, despite significant mineralization at the Lik deposit, carbonate rocks in the section buffer the system, resulting in less acidic, mostly near-neutral pH values with low concentrations of most metals except Zn.

  17. Water dynamics and retrogradation of ultrahigh pressurized wheat starch.

    PubMed

    Doona, Christopher J; Feeherry, Florence E; Baik, Moo-Yeol

    2006-09-06

    The water dynamics and retrogradation kinetics behavior of gelatinized wheat starch by either ultrahigh pressure (UHP) processing or heat are investigated. Wheat starch completely gelatinized in the condition of 90, 000 psi at 25 degrees C for 30 min (pressurized gel) or 100 degrees C for 30 min (heated gel). The physical properties of the wheat starches were characterized in terms of proton relaxation times (T2 times) measured using time-domain nuclear magnetic resonance spectroscopy and evaluated using commercially available continuous distribution modeling software. Different T2 distributions in both micro- and millisecond ranges between pressurized and heated wheat starch gels suggest distinctively different water dynamics between pressurized and heated wheat starch gels. Smaller water self-diffusion coefficients were observed for pressurized wheat starch gels and are indicative of more restricted translational proton mobility than is observed with heated wheat starch gels. The physical characteristics associated with changes taking place during retrogradation were evaluated using melting curves obtained with differential scanning calorimetry. Less retrogradation was observed in pressurized wheat starch, and it may be related to a smaller quantity of freezable water in pressurized wheat starch. Starches comprise a major constituent of many foods proposed for commercial potential using UHP, and the present results furnish insight into the effect of UHP on starch gelatinization and the mechanism of retrogradation during storage.

  18. Water quality and geochemistry evaluation of groundwater upstream and downstream of the Khirbet Al-Samra wastewater treatment plant/Jordan

    NASA Astrophysics Data System (ADS)

    Bajjali, William; Al-Hadidi, Kheir; Ismail, Ma'mmon

    2015-01-01

    Groundwater in the northeastern Amman-Zarqa basin is an important source of water for irrigation. The quality and quantity of water has deteriorated due to mismanagement and misunderstanding of the hydrogeological system. Overexploitation of groundwater resources upstream of the Khirbet Al-Samra wastewater treatment plant (KSWTP) has lowered the water table 43 m since the beginning of groundwater development in 1968. Heavy pumping of groundwater downstream of KSWTP has not dropped the water level due to constant recharge from the Zarqa river bed. The water level of groundwater is rising continuously at a rate of 20 cm per year since building the KSWTP in 1985. Groundwater salinity has also shifted the quality of the aquifer from fresh to brackish. Continual irrigation from the groundwater upstream of KSWTP dissolves accumulated salt from the soil formed by evaporation, and the contaminated water infiltrates back to the aquifer, thereby increasing both salt and nitrate concentrations. The intense irrigation from the reclaimed water downstream of KSWTP and leakage of treated wastewater from the Zarqa River to the shallow groundwater is a secondary source of salt and nitrates. The isotopic composition of groundwater varies over a wide range and is associated with the meteoric water line affected by Mediterranean Sea air moisture. The isotopic composition of groundwater is represented by evaporation line (EL) with a low slope of 3.6. The enrichment of groundwater in δ18O and δD is attributed mainly to the two processes of evaporation before infiltration of return flow and mixing of different types of water in KSWTP originating from different aquifers. The EL starts from a location more depleted than the weighted mean value of the Amman rainfall station on the Eastern Meteoric Water Line indicating that the recharge took place under the climate regime prevailing today in Jordan and the recharge of the groundwater originates from a greater elevation than that of the

  19. Dynamic criteria of plankton jumping out of water.

    PubMed

    Kim, Seong Jin; Hasanyan, Jalil; Gemmell, Brad J; Lee, Sungyon; Jung, Sunghwan

    2015-10-06

    In nature, jumping out of water is a behaviour commonly observed in aquatic species to either escape from predators or hunt prey. However, not all aquatic species are capable of jumping out, especially small organisms whose length scales are comparable to the capillary length (approx. 2.7 mm for water). Some aquatic animals smaller than the capillary length are able to jump out while others are not, as observed in some marine copepods. To understand the dynamics of jumping out of the water-air interface, we perform physical experiments by shooting a spherical particle towards the liquid-air interface from below. Experimental results show that the particle either penetrates or bounces back from the interface, depending on the particle and fluid properties, and the impact velocity. The transition from bouncing to penetration regimes, which is theoretically predicted based on a particle force balance, is in good agreement with both physical experiments and plankton behavioural data.

  20. Molecular dynamics of the water liquid-vapor interface

    NASA Technical Reports Server (NTRS)

    Wilson, M. A.; Pohorille, A.; Pratt, L. R.; MacElroy, R. D. (Principal Investigator)

    1987-01-01

    The results of molecular dynamics calculations on the equilibrium interface between liquid water and its vapor at 325 K are presented. For the TIP4P model of water intermolecular pair potentials, the average surface dipole density points from the vapor to the liquid. The most common orientations of water molecules have the C2 nu molecular axis roughly parallel to the interface. The distributions are quite broad and therefore compatible with the intermolecular correlations characteristic of bulk liquid water. All near-neighbor pairs in the outermost interfacial layers are hydrogen bonded according to the common definition adopted here. The orientational preferences of water molecules near a free surface differ from those near rigidly planar walls which can be interpreted in terms of patterns found in hexagonal ice 1. The mean electric field in the interfacial region is parallel to the mean polarization which indicates that attention cannot be limited to dipolar charge distributions in macroscopic descriptions of the electrical properties of this interface. The value of the surface tension obtained is 132 +/- 46 dyn/cm, significantly different from the value for experimental water of 68 dyn/cm at 325 K.

  1. Hydrogen bonding definitions and dynamics in liquid water.

    PubMed

    Kumar, R; Schmidt, J R; Skinner, J L

    2007-05-28

    X-ray and neutron diffractions, vibrational spectroscopy, and x-ray Raman scattering and absorption experiments on water are often interpreted in terms of hydrogen bonding. To this end a number of geometric definitions of hydrogen bonding in water have been developed. While all definitions of hydrogen bonding are to some extent arbitrary, those involving one distance and one angle for a given water dimer are unnecessarily so. In this paper the authors develop a systematic procedure based on two-dimensional potentials of mean force for defining cutoffs for a given pair of distance and angular coordinates. They also develop an electronic structure-based definition of hydrogen bonding in liquid water, related to the electronic occupancy of the antibonding OH orbitals. This definition turns out to be reasonably compatible with one of the distance-angle geometric definitions. These two definitions lead to an estimate of the number of hydrogen bonds per molecule in liquid simple point charge/extended (SPC/E) water of between 3.2 and 3.4. They also used these and other hydrogen-bond definitions to examine the dynamics of local hydrogen-bond number fluctuations, finding an approximate long-time decay constant for SPC/E water of between 0.8 and 0.9 ps, which corresponds to the time scale for local structural relaxation.

  2. Ground-water flow, geochemistry, and effects of agricultural practices on nitrogen transport at study sites in the Piedmont and Coastal Plain physiographic provinces, Patuxent River Basin, Maryland

    USGS Publications Warehouse

    McFarland, E. Randolph

    1995-01-01

    The effects of agricultural practices on nitrogen transport were assessed at two 10-acre study sites in the Patuxent River Basin, Maryland, during 1986- 92. Nitrogen load was larger in ground water than in surface runoff at both sites. Denitrification and (or) long traveltimes of ground water at the study site in the Piedmont Province resulted in lower concentrations of nitrate than at the site in the Coastal Plain Province. The study period was brief compared to traveltimes of nitrogen in ground water of several decades. Therefore, the effects of agricultural practices were observed only in parts of both sites. At the Piedmont site, nitrate concentration in two springs was 7 mg/L (milligrams per liter) two years after corn was grown under no-till cultivation, and decreased to 3.5 mg/L during 4 years while cultivation practices and crops included no-till soybeans, continuous alfalfa, and contoured strips alternated among corn, alfalfa, and soybeans. Nitrogen load in ground water decreased from 12 to 6 (lb/acre)/yr (pounds per acre per year). At the Coastal Plain site, the concentration of nitrate in ground water decreased from 10 mg/L after soybeans were grown under no-till cultivation for 2 years, to 9 mg/L after soybeans were grown under conventional till cultivation for 3 years. No-till cultivation in 1988 resulted in a greater nitrogen load in ground water (12.55 (lbs/acre)/yr), as well as greater ground-water recharge and discharge, than conventional till cultivation in 1991 (11.51 (lbs/ acre)/yr), even though the amount and timing of precipitation for both years were similar.

  3. Dynamic mechanical analysis of supercooled water in nanoporous confinement

    NASA Astrophysics Data System (ADS)

    Soprunyuk, Viktor; Schranz, Wilfried; Huber, Patrick

    2016-08-01

    Dynamical mechanical analysis (\\text{DMA})(f=0.2\\text{--}100 \\text{Hz}) is used to study the dynamics of confined water in mesoporous Gelsil (2.6 nm and 5 nm pores) and Vycor (10 nm) in the temperature range from T=80 \\text{K} to 300 K. Confining water into nanopores partly suppresses crystallization and allows us to perform measurements of supercooled water below 235 K, i.e., in water's so-called “no man's land”, in parts of the pores. Two distinct relaxation peaks are observed in tan δ around T1 ≈ 145 \\text{K} (P1) and T2 ≈ 205 \\text{K}~(P2) for Gelsil 2.6 nm and Gelsil 5 nm at 0.2 Hz. Both peaks shift to higher T with increasing pore size d and change with f in a systematic way, typical of an Arrhenius behaviour of the corresponding relaxation times. For P 1 we obtain an average activation energy of E\\text{a} = 0.47 \\text{eV} , in good agreement with literature values, suggesting that P 1 corresponds to the glass transition of supercooled water. The observation of a pronounced softening of the Young's modulus around 165 K (for Gelsil 2.6 nm at 0.2 Hz) supports the conjecture of a glass-to-liquid transition in the vicinity of P 1. In addition we find a clear-cut (1/d)-dependence of the calculated glass transition temperatures which extrapolates to T_\\text{g}(1/d=0)=136 \\text{K} , in agreement with the traditional value of water.

  4. Ground-water flow, geochemistry, and effects of agricultural practices on nitrogen transport at study sites in the Piedmont and Coastal Plain physiographic provinces, Patuxent River basin, Maryland

    USGS Publications Warehouse

    McFarland, E. Randolph

    1997-01-01

    In an effort to improve water quality in Chesapeake Bay, agricultural practices are being promoted that are intended to reduce contaminant transport to the Bay. The effects of agricultural practices on nitrogen transport were assessed at two 10-acre study sites in the Patuxent River basin, Maryland, during 1986-92. Nitrogen load was larger in ground water than in surface runoff at both sites. At the study site in the Piedmont Province, nitrogen load in ground water decreased from 12 to 6 (lb/acre)/yr (pound per acre per year) as corn under no-till cultivation was replaced by no-till soybeans, continuous alfalfa, and contoured strip crops alternated among corn, alfalfa, and soybeans. At the study site in the Coastal Plain Province, no-till soybeans resulted in a nitrogen load in ground water of 12.55 (lb/acre)/yr, whereas conventional-till soybeans resulted in a nitrogen load in ground water of 11.51 (lb/acre)/yr.

  5. Hydrogeology, geochemistry, and quality of water of The Basin and Oak Spring areas of the Chisos Mountains, Big Bend National Park, Texas

    USGS Publications Warehouse

    Baker, E.T.; Buszka, P.M.

    1993-01-01

    Water-chemistry data, hydrochemical facies, and isotopic data also indicate that water from Oak Spring originates principally from precipitation onto the land surface of the Oak Spring area. Tritium data indicate that Oak Spring water is "modern," with an average age of recharge less than 14 years. The flow rates recorded almost continuously at Oak Spring beginning in December 1986 show a close relation between precipitation and discharge. The highest recorded spring flow of 167 gallons per minute in December 1986 is attributed to record high precipitation in the area during 1986. The lowest recorded flow of 22.4 gallons per minute, in December 1989, followed a period of 20 out of 26 months of below-normal precipitation. Flow at Oak Spring typically lags behind precipitation by about 1 month. This fairly rapid response indicates the spring is fed by a shallow aquifer having good permeability and effective recharge areas with the ability to absorb precipitation rapidly.

  6. Rethinking early Earth phosphorus geochemistry

    PubMed Central

    Pasek, Matthew A.

    2008-01-01

    Phosphorus is a key biologic element, and a prebiotic pathway leading to its incorporation into biomolecules has been difficult to ascertain. Most potentially prebiotic phosphorylation reactions have relied on orthophosphate as the source of phosphorus. It is suggested here that the geochemistry of phosphorus on the early Earth was instead controlled by reduced oxidation state phosphorus compounds such as phosphite (HPO32−), which are more soluble and reactive than orthophosphates. This reduced oxidation state phosphorus originated from extraterrestrial material that fell during the heavy bombardment period or was produced during impacts, and persisted in the mildly reducing atmosphere. This alternate view of early Earth phosphorus geochemistry provides an unexplored route to the formation of pertinent prebiotic phosphorus compounds, suggests a facile reaction pathway to condensed phosphates, and is consistent with the biochemical usage of reduced oxidation state phosphorus compounds in life today. Possible studies are suggested that may detect reduced oxidation state phosphorus compounds in ancient Archean rocks. PMID:18195373

  7. Vibration-rotation-tunneling dynamics in small water clusters

    SciTech Connect

    Pugliano, N.

    1992-11-01

    The goal of this work is to characterize the intermolecular vibrations of small water clusters. Using tunable far infrared laser absorption spectroscopy, large amplitude vibration-rotation-tunneling (VRT) dynamics in vibrationally excited states of the water dimer and the water trimer are investigated. This study begins with the measurement of 12 VRT subbands, consisting of approximately 230 transitions, which are assigned to an 82.6 cm[sup [minus]1] intermolecular vibration of the water dimer-d[sub 4]. Each of the VRT subbands originate from K[sub a][double prime]=0 and terminate in either K[sub a][prime]=0 or 1. These data provide a complete characterization of the tunneling dynamics in the vibrationally excited state as well as definitive symmetry labels for all VRT energy levels. Furthermore, an accurate value for the A[prime] rotational constant is found to agree well with its corresponding ground state value. All other excited state rotational constants are fitted, and discussed in terms of the corresponding ground state constants. In this vibration, the quantum tunneling motions are determined to exhibit large dependencies with both the K[sub a][prime] quantum number and the vibrational coordinate, as is evidenced by the measured tunneling splittings. The generalized internal-axis-method treatment which has been developed to model the tunneling dynamics, is considered for the qualitative description of each tunneling pathway, however, the variation of tunneling splittings with vibrational excitation indicate that the high barrier approximation does not appear to be applicable for this vibrational coordinate. The data are consistent with a motion possessing a[prime] symmetry, and the vibration is assigned as the [nu][sub 12] acceptor bending coordinate. This assignment is in agreement with the vibrational symmetry, the resultsof high level ab initio calculations, and preliminary data assigned to the analogous vibration in the D[sub 2]O-DOH isotopomer.

  8. Vibration-rotation-tunneling dynamics in small water clusters

    SciTech Connect

    Pugliano, N.

    1992-11-01

    The goal of this work is to characterize the intermolecular vibrations of small water clusters. Using tunable far infrared laser absorption spectroscopy, large amplitude vibration-rotation-tunneling (VRT) dynamics in vibrationally excited states of the water dimer and the water trimer are investigated. This study begins with the measurement of 12 VRT subbands, consisting of approximately 230 transitions, which are assigned to an 82.6 cm{sup {minus}1} intermolecular vibration of the water dimer-d{sub 4}. Each of the VRT subbands originate from K{sub a}{double_prime}=0 and terminate in either K{sub a}{prime}=0 or 1. These data provide a complete characterization of the tunneling dynamics in the vibrationally excited state as well as definitive symmetry labels for all VRT energy levels. Furthermore, an accurate value for the A{prime} rotational constant is found to agree well with its corresponding ground state value. All other excited state rotational constants are fitted, and discussed in terms of the corresponding ground state constants. In this vibration, the quantum tunneling motions are determined to exhibit large dependencies with both the K{sub a}{prime} quantum number and the vibrational coordinate, as is evidenced by the measured tunneling splittings. The generalized internal-axis-method treatment which has been developed to model the tunneling dynamics, is considered for the qualitative description of each tunneling pathway, however, the variation of tunneling splittings with vibrational excitation indicate that the high barrier approximation does not appear to be applicable for this vibrational coordinate. The data are consistent with a motion possessing a{prime} symmetry, and the vibration is assigned as the {nu}{sub 12} acceptor bending coordinate. This assignment is in agreement with the vibrational symmetry, the resultsof high level ab initio calculations, and preliminary data assigned to the analogous vibration in the D{sub 2}O-DOH isotopomer.

  9. Molecular dynamics of water at high temperatures and pressures

    NASA Astrophysics Data System (ADS)

    Brodholt, John; Wood, Bernard

    1990-09-01

    There are currently no precise P-V-T data for water at pressures above 8.9 kbars and temperatures above 900°C. Many petrological processes in the lower crust and upper mantle take place under more extreme conditions, however and petrologists commonly rely on empirical equations of state such as the modified Redlich-Kwong equation (MRK) to extrapolate the low pressure data. In this study we have taken an alternative approach and attempted to simulate the P-V-T properties of water using molecular dynamics. The TIP4P intermolecular potential for H 2O ( JORGENSEN et al., 1983) has had considerable success predicting the properties of water at low temperatures and pressures up to 10 kbar ( MADURA et al., 1988). We have extended its application by making molecular dynamics (MD) simulations at a density of 1.0 g/cc from 300 to 2300 K and 0.5 to 40 kbars. The results agree with the P-V-T data of BURNHAM et al. (1969) (up to 10 kbars) with an average error of under 2%. This is a much better concordance than is obtained with any of the currently used versions of MRK. At 300 kbars and 2000 K the MD simulations predict densities within 8% of those obtained in the shock wave experiments of KORMER (1968). This is a very good agreement given the fact that water ionizes to some extent at high pressures ( MITCHELL and NELLIS, 1982) and we have made no provisions for this effect. We conclude that molecular dynamics simulations provide the possibility of estimating P-V-T properties in the upper mantle P-T regime with very good accuracy.

  10. Hydrogeology and geochemistry of acid mine drainage in ground water in the vicinity of Penn Mine and Camanche Reservoir, Calaveras County, California; first-year summary

    USGS Publications Warehouse

    Hamlin, S.N.; Alpers, C.N.

    1995-01-01

    Acid drainage from the Penn Mine in Calaveras County, California, has caused contamination of ground water between Mine Run Dam and Camanche Reservoir. The Penn Mine was first developed in the 1860's primarily for copper and later produced lesser amounts of zinc, lead, silver, and gold from steeply dipping massive sulfide lenses in metamorphic rocks. Surface disposal of sulfidic waste rock and tailings from mine operations has produced acidic drainage with pH values between 2.3 and 2.7 and elevated concentrations of sulfate and metals, including copper, zinc, cadmium, iron, and aluminum. During the mine's operation and after its subsequent abandonment in the late 1950's, acid mine drainage flowed down Mine Run into the Mokelumne River. Construction of Camanche Dam in 1963 flooded part of the Mokelumne River adjacent to Penn Mine. Surface-water diversions and unlined impoundments were constructed at Penn Mine in 1979 to reduce runoff from the mine, collect contaminated surface water, and enhance evaporation. Some of the contaminated surface water infiltrates the ground water and flows toward Camanche Reservoir. Ground- water flow in the study area is controlled by the local hydraulic gradient and the hydraulic characteristics of two principal rock types, a Jurassic metavolcanic unit and the underlying Salt Spring slate. The hydraulic gradient is west from Mine Run impoundment toward Camanche Reservoir. The median hydraulic conductivity was about 10 to 50 times higher in the metavolcanic rock (0.1 foot per day) than in the slate (0.002 to 0.01 foot per day); most flow occurs in the metavolcanic rock where hydraulic conductivity is as high as 50 feet per day in two locations. The contact between the two rock units is a fault plane that strikes N20?W, dips 20?NE, and is a likely conduit for ground-water flow, based on down-hole measurements with a heatpulse flowmeter. Analyses of water samples collected during April 1992 provide a comprehensive characterization of

  11. Hydro-dynamic damping theory in flowing water

    NASA Astrophysics Data System (ADS)

    Monette, C.; Nennemann, B.; Seeley, C.; Coutu, A.; Marmont, H.

    2014-03-01

    Fluid-structure interaction (FSI) has a major impact on the dynamic response of the structural components of hydroelectric turbines. On mid-head to high-head Francis runners, the rotor-stator interaction (RSI) phenomenon always has to be considered carefully during the design phase to avoid operational issues later on. The RSI dynamic response amplitudes are driven by three main factors: (1) pressure forcing amplitudes, (2) excitation frequencies in relation to natural frequencies and (3) damping. The prediction of the two first factors has been largely documented in the literature. However, the prediction of fluid damping has received less attention in spite of being critical when the runner is close to resonance. Experimental damping measurements in flowing water on hydrofoils were presented previously. Those results showed that the hydro-dynamic damping increased linearly with the flow. This paper presents development and validation of a mathematical model, based on momentum exchange, to predict damping due to fluid structure interaction in flowing water. The model is implemented as an analytical procedure for simple structures, such as cantilever beams, but is also implemented in more general ways using three different approaches for more complex structures such as runner blades: a finite element procedure, a CFD modal work based approach and a CFD 1DOF approach. The mathematical model and all three implementation approaches are shown to agree well with experimental results.

  12. Application of dynamic programming to control khuzestan water resources system

    USGS Publications Warehouse

    Jamshidi, M.; Heidari, M.

    1977-01-01

    An approximate optimization technique based on discrete dynamic programming called discrete differential dynamic programming (DDDP), is employed to obtain the near optimal operation policies of a water resources system in the Khuzestan Province of Iran. The technique makes use of an initial nominal state trajectory for each state variable, and forms corridors around the trajectories. These corridors represent a set of subdomains of the entire feasible domain. Starting with such a set of nominal state trajectories, improvements in objective function are sought within the corridors formed around them. This leads to a set of new nominal trajectories upon which more improvements may be sought. Since optimization is confined to a set of subdomains, considerable savings in memory and computer time are achieved over that of conventional dynamic programming. The Kuzestan water resources system considered in this study is located in southwest Iran, and consists of two rivers, three reservoirs, three hydropower plants, and three irrigable areas. Data and cost benefit functions for the analysis were obtained either from the historical records or from similar studies. ?? 1977.

  13. Water Vapor and the Dynamics of Climate Changes

    NASA Astrophysics Data System (ADS)

    Schneider, Tapio; O'Gorman, Paul A.; Levine, Xavier J.

    2010-07-01

    Water vapor is not only Earth's dominant greenhouse gas. Through the release of latent heat when it condenses, it also plays an active role in dynamic processes that shape the global circulation of the atmosphere and thus climate. Here we present an overview of how latent heat release affects atmosphere dynamics in a broad range of climates, ranging from extremely cold to extremely warm. Contrary to widely held beliefs, atmospheric circulation statistics can change nonmonotonically with global-mean surface temperature, in part because of dynamic effects of water vapor. For example, the strengths of the tropical Hadley circulation and of zonally asymmetric tropical circulations, as well as the kinetic energy of extratropical baroclinic eddies, can be lower than they presently are both in much warmer climates and in much colder climates. We discuss how latent heat release is implicated in such circulation changes, particularly through its effect on the atmospheric static stability, and we illustrate the circulation changes through simulations with an idealized general circulation model. This allows us to explore a continuum of climates, to constrain macroscopic laws governing this climatic continuum, and to place past and possible future climate changes in a broader context.

  14. Cavitation in confined water: ultra-fast bubble dynamics

    NASA Astrophysics Data System (ADS)

    Vincent, Olivier; Marmottant, Philippe

    2012-02-01

    In the hydraulic vessels of trees, water can be found at negative pressure. This metastable state, corresponding to mechanical tension, is achieved by evaporation through a porous medium. It can be relaxed by cavitation, i.e. the sudden nucleation of vapor bubbles. Harmful for the tree due to the subsequent emboli of sap vessels, cavitation is on the contrary used by ferns to eject spores very swiftly. We will focus here on the dynamics of the cavitation bubble, which is of primary importance to explain the previously cited natural phenomena. We use the recently developed method of artificial tress, using transparent hydrogels as the porous medium. Our experiments, on water confined in micrometric hydrogel cavities, show an extremely fast dynamics: bubbles are nucleated at the microsecond timescale. For cavities larger than 100 microns, the bubble ``rings'' with damped oscillations at MHz frequencies, whereas for smaller cavities the oscillations become overdamped. This rich dynamics can be accounted for by a model we developed, leading to a modified Rayleigh-Plesset equation. Interestingly, this model predicts the impossibility to nucleate bubbles above a critical confinement that depends on liquid negative pressure and corresponds to approximately 100 nm for 20 MPa tensions.

  15. Preliminary report on mercury geochemistry of placer gold dredge tailings, sediments, bedrock, and waters in the Clear Creek restoration area, Shasta County, California

    USGS Publications Warehouse

    Ashley, Roger P.; Rytuba, James J.; Rogers, Ronald; Kotlyar, Boris B.; Lawler, David

    2002-01-01

    Clear Creek, one of the major tributaries of the upper Sacramento River, drains the eastern Trinity Mountains. Alluvial plain and terrace gravels of lower Clear Creek, at the northwest edge of the Sacramento Valley, contain placer gold that has been mined since the Gold Rush by various methods including dredging. In addition, from the 1950s to the 1980s aggregate-mining operations removed gravel from the lower Clear Creek flood plain. Since Clear Creek is an important stream for salmon production, a habitat restoration program is underway to repair damage from mining and improve conditions for spawning. This program includes using dredge tailings to fill in gravel pits in the flood plain, raising the concern that mercury lost to these tailings in the gold recovery process may be released and become available to biota. The purposes of our study are to determine concentrations and speciation of mercury in sediments, tailings, and water in the lower Clear Creek area, and to determine its mobility. Mercury concentrations in bedrock and unmined gravels both within and above the mined area are low, and are taken to represent background concentrations. Bulk mercury values in flood-plain sediments and dry tailings are elevated to several times these background concentrations. Mercury in sediments and tailings is associated with fine size fractions. Although methylmercury levels are generally low in sediments, shallow ponds in the flood plain may have above-normal methylation potential. Stream waters in the area show low mercury and methylmercury levels. Ponds with elevated methylmercury in sediments have more methylmercury in their waters as well. One seep in the area is highly saline, and enriched in mercury, lithium, and boron, similar to connate waters that are expelled along thrust faults to the south on the west side of the Sacramento Valley. This occurrence suggests that mercury in waters may at least in part be from sources other than placer mining.

  16. Cooperative dynamic and diffusion behavior above and below the dynamical crossover of supercooled water

    NASA Astrophysics Data System (ADS)

    Picasso, Germán C.; Malaspina, David C.; Carignano, Marcelo A.; Szleifer, Igal

    2013-07-01

    Using extensive molecular dynamics simulations combined with a novel approach to analyze the molecular displacements we analyzed the change in the dynamics above and below the crossover temperature Tx for supercooled water. Our findings suggest that the crossover from fragile to strong glass former occurring at Tx is related with a change in the diffusion mechanism evidencing the presence of jump-like diffusion at lower temperatures. Also we observe that fluctuations of the local environments are intimately connected with fluctuations in the size and the amount of cooperative cluster of mobile molecules, and in particular we find a highly cooperative nature of the motion at low temperatures.

  17. Molecular structure and dynamics of water at the water-air interface studied with surface-specific vibrational spectroscopy.

    PubMed

    Bonn, Mischa; Nagata, Yuki; Backus, Ellen H G

    2015-05-04

    Water interfaces provide the platform for many important biological, chemical, and physical processes. The water-air interface is the most common and simple aqueous interface and serves as a model system for water at a hydrophobic surface. Unveiling the microscopic (<1 nm) structure and dynamics of interfacial water at the water-vapor interface is essential for understanding the processes occurring on the water surface. At the water interface the network of very strong intermolecular interactions, hydrogen-bonds, is interrupted and the density of water is reduced. A central question regarding water at interfaces is the extent to which the structure and dynamics of water molecules are influenced by the interruption of the hydrogen-bonded network and thus differ from those of bulk water. Herein, we discuss recent advances in the study of interfacial water at the water-air interface using laser-based surface-specific vibrational spectroscopy.

  18. Static and dynamic correlations in water at hydrophobic interfaces

    PubMed Central

    Mittal, Jeetain; Hummer, Gerhard

    2008-01-01

    We study the static and dynamic properties of the water-density fluctuations in the interface of large nonpolar solutes. With the help of extensive molecular dynamics simulations of TIP4P water near smooth spherical solutes, we show that for large solutes, the interfacial density profile is broadened by capillary waves. For purely repulsive solutes, the squared width of the interface increases linearly with the logarithm of the solute size, as predicted by capillary-wave theory. The apparent interfacial tension extracted from the slope agrees with that of a free liquid–vapor interface. The characteristic length of local density fluctuations is ≈0.5 nm, measured along the arc, again consistent with that of a free liquid–vapor interface. Probed locally, the interfacial density fluctuations exhibit large variances that exceed those expected for an ideal gas. Qualitatively consistent with theories of the free liquid–vapor interface, we find that the water interface near large and strongly nonpolar solutes is flickering, broadened by capillary-wave fluctuations. These fluctuations result in transitions between locally wet and dry regions that are slow on a molecular time scale. PMID:19074279

  19. Moisture-pressure dynamics above an oscillating water table

    NASA Astrophysics Data System (ADS)

    Cartwright, Nick

    2014-05-01

    This paper presents a sand column dataset on the soil moisture-pressure dynamics above a simple harmonic oscillating water table. A total of 19 experiments were conducted in which all experimental parameters were held constant except for the oscillation period which ranged between 12.25 h down to 10 s. The data show clear evidence of hysteresis at longer oscillation periods where the unsaturated zone has sufficient time to adjust to the water table motion. At shorter periods the contrary exists with the extent of moisture-pressure variations greatly reduced and, for periods less than 15 min, the dynamics become non-hysteretic. The high frequency moisture-pressure loops, although non-hysteretic, do not follow the (non-hysteretic) static equilibrium wetting or drying curves but are consistent with the scanning loops generated by a commonly adopted hysteresis algorithm for numerical solution of the Richards (1931) equation. Thus, the data provides new physical insights behind the need to include hysteresis effects when simulating high frequency water table motions as found by previous researchers.

  20. Dynamical properties of confined supercooled water: an NMR study

    NASA Astrophysics Data System (ADS)

    Mallamace, Francesco; Broccio, Matteo; Corsaro, Carmelo; Faraone, Antonio; Liu, Li; Mou, Chung-Yuan; Chen, Sow-Hsin

    2006-09-01

    We report a set of dynamical data of confined water measured in a very deeply supercooled regime (290-190 K). Water is contained in silica matrices (MCM-41-S) which consist of 1D cylindrical pores with diameters d = 14,18 and 24 Å. When confined in these tubular pores, water does not crystallize, and can be supercooled well below 200 K. We use the NMR technique to obtain the characteristic proton relaxation time-constants (the spin-lattice relaxation time-constant T1 and the spin-spin relaxation time-constant T2) and a direct measurement of the self-diffusion coefficient in the whole temperature range. We give evidence of the existence of a fragile-to-strong dynamic crossover (FSC) at TL = 225 K from the temperature dependence of the self-diffusion coefficient. A combination of the NMR self-diffusion coefficient with the average translational relaxation time, as measured by quasi-elastic neutron scattering, shows a well defined decoupling of transport coefficients, i.e. the breakdown of the Stokes-Einstein relation, on approaching the crossover temperature TL.

  1. Lagrangian water quality dynamics in the San Luis Drain, California.

    NASA Astrophysics Data System (ADS)

    Volkmar, E. C.; Dahlgren, R. A.; Stringfellow, W. T.; Henson, S. S.; Borglin, S. E.; Kendall, C.

    2007-12-01

    Integration of temporal changes in biological and water quality constituents during downstream transport is critical to understanding aquatic ecosystem and biogeochemical dynamics of rivers, estuaries, and the near- coastal waters into which rivers flow. Changes in chemical, physical, and biological water quality constituents during downstream transport can be evaluated by following a specific parcel of water, known as a Lagrangian study. The objective of this study was to differentiate changes in water quality constituents occurring within a parcel of water as it travels downstream to the changes observed at a fixed sampling location. We sampled a parcel of agricultural drainage water as it traveled downstream for 84 h in a concrete-lined channel (San Luis Drain in San Joaquin Valley) with no additional water inputs or outputs. The Lagrangian sampling occurred in August 2006 and June 2007. Data from the Lagrangian study was compared to data collected at a fixed point using an automatic pump sampler and water quality sonde. Fluorescence (a measure of algal pigments), dissolved oxygen, temperature, pH, and conductivity were measured every 30 minutes, as well as collecting grab samples every 2 h for nutrient and suspended sediment analyses. Sinusoidal diel (24 h) patterns were observed for dissolved oxygen, pH, and temperature within the parcel of water. Algal pigments, nutrients, suspended solids, and turbidity did not exhibit sinusoidal diel patterns, generally observed at a fixed sampling location. The diel patterns observed indicated changes that would occur during downstream transport. Algal pigments showed a rapid day time increase during the first 24 to 48 h followed by a plateau or decrease for the remainder of the study. Algal growth was apparent each day during the study, as measured by increasing dissolved oxygen concentrations, in spite of non-detectable phosphate concentrations (<5 ppb) and nearly complete consumption of soluble silica during the 2007

  2. Dynamic and static interactions between bitumen droplets in water.

    PubMed

    Laroche, I; Wu, X; Masliyah, J H; Czarnecki, J

    2002-06-15

    In the commercial bitumen extraction operation, dynamic and static interaction forces between bitumen drops in water determine the likelihood of desirable bitumen coalescence at different process stages. These dynamic and static forces were measured using colloidal particle scattering and hydrodynamic force balance techniques, respectively. In the former technique, dynamic interactions are studied through droplet-droplet collision trajectory measurement. In the latter technique, the static attractive forces between droplets are determined when a doublet is separated with a known and adjustable hydrodynamic force. The dynamic force measurement implies the presence of rigid chains on bitumen surfaces. The mean chain lengths for deasphalted bitumen at pH 7, whole bitumen at pH 7, and whole bitumen at pH 8.5 are 50, 78, and 41 nm, respectively. However, the static force measurement indicates much shorter mean chain lengths (<9 nm) in these three bitumen systems. Shorter chain length indicates weaker repulsive force. This finding of a much weaker repulsion between bitumen droplets under static conditions has important implications on the commercial bitumen extraction operation.

  3. Mercury Geochemistry of Gold Placer Tailings, Sediments, Bedrock, and Waters in the Lower Clear Creek Area, Shasta County, California - Report of Investigations, 2001-2003

    USGS Publications Warehouse

    Ashley, Roger P.; Rytuba, James J.

    2008-01-01

    Clear Creek, one of the major tributaries of the upper Sacramento River, drains the eastern Trinity Mountains. Alluvial plain and terrace gravels of lower Clear Creek, at the northwest edge of the Sacramento Valley, contain placer gold that has been mined since the Gold Rush by various methods including hydraulic mining and dredging. In addition, from the 1950s to the 1980s aggregate-mining operations removed gravel from the lower Clear Creek flood plain. Since Clear Creek is an important stream for salmon production, a habitat restoration program is underway to repair damage from mining and improve conditions for spawning. This program includes moving dredge tailings to increase the area of spawning gravel and to fill gravel pits in the flood plain, raising the concern that mercury lost to these tailings in the gold recovery process may be released and become available to biota. The purposes of our study are to identify sources, transport, and dispersal of mercury in the lower Clear Creek area and identify environments in which bioavailable methylmercury is produced. Analytical data acquired include total mercury and methylmercury concentrations in sediments, tailings, and water. Mercury concentrations in bedrock and unmined gravels in and around the mined area are low and are taken to represent background concentrations. Bulk mercury values in placer mining tailings range from near-background in coarse dry materials to more than 40 times background in sands and silts exposed to mercury in sluices. Tailings are entrained in flood-plain sediments and active stream sediments; consequently, mercury concentrations in these materials range from background to about two to three times background. Mercury in sediments and tailings is associated with fine size fractions. The source of most of this mercury is historical gold mining in the Clear Creek watershed. Although methylmercury levels are low in most of these tailings and sediments, flood-plain sediment in shallow

  4. The Widom line and dynamical crossover in supercritical water: Popular water models versus experiments

    SciTech Connect

    Corradini, D.; Rovere, M.; Gallo, P.

    2015-09-21

    In a previous study [Gallo et al., Nat. Commun. 5, 5806 (2014)], we have shown an important connection between thermodynamic and dynamical properties of water in the supercritical region. In particular, by analyzing the experimental viscosity and the diffusion coefficient obtained in simulations performed using the TIP4P/2005 model, we have found that the line of response function maxima in the one phase region, the Widom line, is connected to a crossover from a liquid-like to a gas-like behavior of the transport coefficients. This is in agreement with recent experiments concerning the dynamics of supercritical simple fluids. We here show how different popular water models (TIP4P/2005, TIP4P, SPC/E, TIP5P, and TIP3P) perform in reproducing thermodynamic and dynamic experimental properties in the supercritical region. In particular, the comparison with experiments shows that all the analyzed models are able to qualitatively predict the dynamical crossover from a liquid-like to a gas-like behavior upon crossing the Widom line. Some of the models perform better in reproducing the pressure-temperature slope of the Widom line of supercritical water once a rigid shift of the phase diagram is applied to bring the critical points to coincide with the experimental ones.

  5. The Widom line and dynamical crossover in supercritical water: Popular water models versus experiments

    NASA Astrophysics Data System (ADS)

    Corradini, D.; Rovere, M.; Gallo, P.

    2015-09-01

    In a previous study [Gallo et al., Nat. Commun. 5, 5806 (2014)], we have shown an important connection between thermodynamic and dynamical properties of water in the supercritical region. In particular, by analyzing the experimental viscosity and the diffusion coefficient obtained in simulations performed using the TIP4P/2005 model, we have found that the line of response function maxima in the one phase region, the Widom line, is connected to a crossover from a liquid-like to a gas-like behavior of the transport coefficients. This is in agreement with recent experiments concerning the dynamics of supercritical simple fluids. We here show how different popular water models (TIP4P/2005, TIP4P, SPC/E, TIP5P, and TIP3P) perform in reproducing thermodynamic and dynamic experimental properties in the supercritical region. In particular, the comparison with experiments shows that all the analyzed models are able to qualitatively predict the dynamical crossover from a liquid-like to a gas-like behavior upon crossing the Widom line. Some of the models perform better in reproducing the pressure-temperature slope of the Widom line of supercritical water once a rigid shift of the phase diagram is applied to bring the critical points to coincide with the experimental ones.

  6. The Widom line and dynamical crossover in supercritical water: Popular water models versus experiments.

    PubMed

    Corradini, D; Rovere, M; Gallo, P

    2015-09-21

    In a previous study [Gallo et al., Nat. Commun. 5, 5806 (2014)], we have shown an important connection between thermodynamic and dynamical properties of water in the supercritical region. In particular, by analyzing the experimental viscosity and the diffusion coefficient obtained in simulations performed using the TIP4P/2005 model, we have found that the line of response function maxima in the one phase region, the Widom line, is connected to a crossover from a liquid-like to a gas-like behavior of the transport coefficients. This is in agreement with recent experiments concerning the dynamics of supercritical simple fluids. We here show how different popular water models (TIP4P/2005, TIP4P, SPC/E, TIP5P, and TIP3P) perform in reproducing thermodynamic and dynamic experimental properties in the supercritical region. In particular, the comparison with experiments shows that all the analyzed models are able to qualitatively predict the dynamical crossover from a liquid-like to a gas-like behavior upon crossing the Widom line. Some of the models perform better in reproducing the pressure-temperature slope of the Widom line of supercritical water once a rigid shift of the phase diagram is applied to bring the critical points to coincide with the experimental ones.

  7. Ground-water quality and geochemistry of Las Vegas Valley, Clark County, Nevada, 1981-83; implementation of a monitoring network

    USGS Publications Warehouse

    Dettinger, M.D.

    1987-01-01

    As a result of rapid urban growth in Las Vegas Valley, rates of water use and wastewater disposal have grown rapidly during the last 25 years. Concern has developed over the potential water quality effects of this growth. The deep percolation of wastewater and irrigation return flow (much of which originates as imported water from Lake Mead), along with severe overdraft conditions in the principal aquifers of the valley, could combine to pose a long-term threat to groundwater quality. The quantitative investigations of groundwater quality and geochemical conditions in the valley necessary to address these concerns would include the establishment of data collection networks on a valley-wide scale that differ substantially from existing networks. The valley-wide networks would have a uniform areal distribution of sampling sites, would sample from all major depth zones, and would entail repeated sampling from each site. With these criteria in mind, 40 wells were chosen for inclusion in a demonstration monitoring network. Groundwater in the northern half of the valley generally contains 200 to 400 mg/L of dissolved solids, and is dominated by calcium, magnesium , and bicarbonate ions, reflecting a chemical equilibrium between the groundwater and the dominantly carbonate rocks in the aquifers of this area. The intermediate to deep groundwater in the southern half of the valley is of poorer quality (containing 700 to 1,500 mg/L of dissolved solids) and is dominated by calcium, magnesium, sulfate, and bicarbonate ions, reflecting the occurrence of other rock types including evaporite minerals among the still-dominant carbonate rocks in the aquifers of this part of the valley. The poorest quality groundwater in the valley is generally in the lowland parts of the valley in the first few feet beneath the water table, where dissolved solids concentrations range from 2,000 to > 7,000 mg/L , and probably reflects the effects of evaporite dissolution, secondary recharge, and

  8. The interplay between dynamic heterogeneities and structure of bulk liquid water: A molecular dynamics simulation study

    SciTech Connect

    Demontis, Pierfranco; Suffritti, Giuseppe B.; Gulín-González, Jorge; Sant, Marco

    2015-06-28

    In order to study the interplay between dynamical heterogeneities and structural properties of bulk liquid water in the temperature range 130–350 K, thus including the supercooled regime, we use the explicit trend of the distribution functions of some molecular properties, namely, the rotational relaxation constants, the atomic mean-square displacements, the relaxation of the cross correlation functions between the linear and squared displacements of H and O atoms of each molecule, the tetrahedral order parameter q and, finally, the number of nearest neighbors (NNs) and of hydrogen bonds (HBs) per molecule. Two different potentials are considered: TIP4P-Ew and a model developed in this laboratory for the study of nanoconfined water. The results are similar for the dynamical properties, but are markedly different for the structural characteristics. In particular, for temperatures higher than that of the dynamic crossover between “fragile” (at higher temperatures) and “strong” (at lower temperatures) liquid behaviors detected around 207 K, the rotational relaxation of supercooled water appears to be remarkably homogeneous. However, the structural parameters (number of NNs and of HBs, as well as q) do not show homogeneous distributions, and these distributions are different for the two water models. Another dynamic crossover between “fragile” (at lower temperatures) and “strong” (at higher temperatures) liquid behaviors, corresponding to the one found experimentally at T{sup ∗} ∼ 315 ± 5 K, was spotted at T{sup ∗} ∼ 283 K and T{sup ∗} ∼ 276 K for the TIP4P-Ew and the model developed in this laboratory, respectively. It was detected from the trend of Arrhenius plots of dynamic quantities and from the onset of a further heterogeneity in the rotational relaxation. To our best knowledge, it is the first time that this dynamical crossover is detected in computer simulations of bulk water. On the basis of the simulation results, the possible

  9. Dynamics of water droplet on a heated nanotubes surface

    NASA Astrophysics Data System (ADS)

    Kim, Seol Ha; Seon Ahn, Ho; Kim, Joonwon; Kaviany, Massoud; Hwan Kim, Moo

    2013-06-01

    This study investigated an effect of nanotubes on a heated surface onto Leidenfrost droplet through high speed visualization and momentum balance analysis. Delayed cutback phenomena and Leidenfrost Point (LFP) by dramatically high heating level were observed, and it is elucidated through wettable and spreadable features induced by nanotubes. As much delayed LFP, transient boiling regime with explosion-like dynamics of a water droplet on the nanotubes was observed. Furthermore, nanotubes required higher wall temperature to maintain non wetting cushion, due to the induced slip condition by porous features.

  10. Femtosecond dynamics of a cardiotonic medicine (milrinone) in neutral water

    NASA Astrophysics Data System (ADS)

    Gil, M.; Douhal, A.

    2006-09-01

    Milrinone is a medicine used to attenuate heart attack disease. Understanding its interaction with water is of importance for the knowledge of its stability and related phenomena. This intimate information requires the unraveling of the dynamics under the physiological conditions. Here we report the first study of ultrafast processes of this medicine. We show that S 2 relaxation of the keto structure (K) occurs in ˜150 fs and the intramolecular-charge transfer reaction in less than 100 fs to produce a relaxed CT-K state. An observed ˜10 ps decay is assigned to vibrational relaxation/cooling and twisting in the formed CT-K.

  11. Geohydrology, geochemistry, and groundwater simulation (1992-2011) and analysis of potential water-supply management options, 2010-60, of the Langford Basin, California

    USGS Publications Warehouse

    Voronin, Lois M.; Densmore, Jill N.; Martin, Peter; Brush, Charles F.; Carlson, Carl S.; Miller, David M.

    2013-01-01

    Groundwater withdrawals began in 1992 from the Langford Basin within the Fort Irwin National Training Center (NTC), California. From April 1992 to December 2010, approximately 12,300 acre-feet of water (averaging about 650 acre-feet per year) has been withdrawn from the basin and transported to the adjacent Irwin Basin. Since withdrawals began, water levels in the basin have declined by as much as 40 feet, and the quality of the groundwater withdrawn from the basin has deteriorated. The U.S. Geological Survey collected geohydrologic data from Langford Basin during 1992–2011 to determine the quantity and quality of groundwater available in the basin. Geophysical surveys, including gravity, seismic refraction, and time-domain electromagnetic induction surveys, were conducted to determine the depth and shape of the basin, to delineate depths to the Quaternary-Tertiary interface, and to map the depth to the water table and changes in water quality. Data were collected from existing wells and test holes, as well as 11 monitor wells that were installed at 5 sites as part of this study. Water-quality samples collected from wells in the basin were used to determine the groundwater chemistry within the basin and to delineate potential sources of poor-quality groundwater. Analysis of stable isotopes of oxygen and hydrogen in groundwater indicates that present-day precipitation is not a major source of recharge to the basin. Tritium and carbon-14 data indicate that most of the basin was recharged prior to 1952, and the groundwater in the basin has an apparent age of 12,500 to 30,000 years. Recharge to the basin, estimated to be less than 50 acre-feet per year, has not been sufficient to replenish the water that is being withdrawn from the basin. A numerical groundwater-flow model was developed for the Langford Basin to better understand the aquifer system used by the Fort Irwin NTC as part of its water supply, and to provide a tool to help manage groundwater resources at

  12. Influence of surface polarity on water dynamics at the water/rutile TiO₂(110) interface.

    PubMed

    Ohto, Tatsuhiko; Mishra, Ankur; Yoshimune, Seiji; Nakamura, Hisao; Bonn, Mischa; Nagata, Yuki

    2014-06-18

    We report molecular dynamics (MD) simulations of the water/clean rutile TiO2 (110) interface using polarizable and non-surface polarity force field models. The effect of surface polarity on the water dynamics near the TiO2(110) surface is addressed, specifically by calculating the water hydrogen bond and reorientational dynamics. The hydrogen bond lifetime of interfacial water molecules is several times longer than that of bulk water due to the strong water-TiO2 interactions. A comparison of the dynamics simulated with the polarizable and non-surface polarity models shows that, while the hydrogen bond lifetime between the interfacial water and TiO2 surface is insensitive to the surface polarity, the reorientational dynamics around this hydrogen bond axis is significantly influenced by the surface polarity; the surface polarity of the TiO2 increases the water-TiO2 interactions, stabilizing the local structure of the interfacial water molecules and restricting their rotational motion. This reorientation occurs predominantly by rotation around the O-H group hydrogen bonded to the TiO2 surface. Furthermore, we correlate the dynamics of the induced charge on the TiO2 surface with the interfacial water dynamics. Our results show that the timescale of correlations of the atom charges induced by the local electric field in bulk water is influenced by the rotational motion, hydrogen bond rearrangement and translational motion, while the induced charge dynamics of the TiO2 surface is governed primarily by the rotational dynamics of the interfacial water molecules. This study demonstrates that the solid surface polarity has a significant impact on the dynamics of water molecules near TiO2 surfaces.

  13. Dynamic criteria of plankton jumping out of water

    PubMed Central

    Kim, Seong Jin; Hasanyan, Jalil; Gemmell, Brad J.; Lee, Sungyon; Jung, Sunghwan

    2015-01-01

    In nature, jumping out of water is a behaviour commonly observed in aquatic species to either escape from predators or hunt prey. However, not all aquatic species are capable of jumping out, especially small organisms whose length scales are comparable to the capillary length (approx. 2.7 mm for water). Some aquatic animals smaller than the capillary length are able to jump out while others are not, as observed in some marine copepods. To understand the dynamics of jumping out of the water–air interface, we perform physical experiments by shooting a spherical particle towards the liquid–air interface from below. Experimental results show that the particle either penetrates or bounces back from the interface, depending on the particle and fluid properties, and the impact velocity. The transition from bouncing to penetration regimes, which is theoretically predicted based on a particle force balance, is in good agreement with both physical experiments and plankton behavioural data. PMID:26468066

  14. An automated dynamic water vapor permeation test method

    NASA Astrophysics Data System (ADS)

    Gibson, Phillip; Kendrick, Cyrus; Rivin, Donald; Charmchii, Majid; Sicuranza, Linda

    1995-05-01

    This report describes an automated apparatus developed to measure the transport of water vapor through materials under a variety of conditions. The apparatus is more convenient to use than the traditional test methods for textiles and clothing materials, and allows one to use a wider variety of test conditions to investigate the concentration-dependent and nonlinear transport behavior of many of the semipermeable membrane laminates which are now available. The dynamic moisture permeation cell (DMPC) has been automated to permit multiple setpoint testing under computer control, and to facilitate investigation of transient phenomena. Results generated with the DMPC are in agreement with and of comparable accuracy to those from the ISO 11092 (sweating guarded hot plate) method of measuring water vapor permeability.

  15. Thermodynamic properties of gold-water nanofluids using molecular dynamics

    NASA Astrophysics Data System (ADS)

    Puliti, Gianluca; Paolucci, Samuel; Sen, Mihir

    2012-12-01

    The physical behavior of a nanofluids is still not fully understood. This work focuses on the study and understanding of equilibrium thermodynamic properties of several gold-water nanofluids using molecular dynamics simulations. Three different systems are considered, where gold nanoparticles with diameters of 2.6, 5.8, and 6.6 nm are suspended in water for effective nanoparticle volume fractions of 1, 10, and 15 %, respectively. Novelties of this study are in the use of accurate force fields for modeling the inter- and intramolecular interactions of the components, and providing comprehensive thermodynamic properties of the nanofluids. The results are validated with the pure fluid and solid properties. Results indicate that the thermodynamics of the system does not behave as an ideal mixture, due to a combination of several factors such as liquid layering, anisotropicity, and other solid-liquid interfacial effects.

  16. Supply-based dynamic Ramsey pricing: Avoiding water shortages

    NASA Astrophysics Data System (ADS)

    Saǧlam, Yiǧit

    2015-01-01

    In many countries, current water-pricing policies are dictated by the sole objective of financial breaking even. This results in large withdrawals, which are not sustainable in the long run, hence not optimal. In this paper, we derive the optimal dynamic pricing policy, which targets efficient distribution while breaking even through a rebate scheme. Using data from Turkey, we estimate the demand for water by user groups. We carry out simulations to compare the effects of the current and optimal pricing policies on the frequency and severity of shortages. We find that, under the policy of break-even prices, the supplier runs into a shortage every 8 years. In contrast, if the prices were to set optimally, shortages would be practically nonexistent over the next century.

  17. Water savings potentials of irrigation systems: dynamic global simulation

    NASA Astrophysics Data System (ADS)

    Jägermeyr, J.; Gerten, D.; Heinke, J.; Schaphoff, S.; Kummu, M.; Lucht, W.

    2015-04-01

    Global agricultural production is heavily sustained by irrigation, but irrigation system efficiencies are often surprisingly low. However, our knowledge of irrigation efficiencies is mostly confined to rough indicative estimates for countries or regions that do not account for spatio-temporal heterogeneity due to climate and other biophysical dependencies. To allow for refined estimates of global agricultural water use, and of water saving and water productivity potentials constrained by biophysical processes and also non-trivial downstream effects, we incorporated a dynamic representation of the three major irrigation systems (surface, sprinkler, and drip) into a process-based bio- and agrosphere model, LPJmL. Based on this enhanced model we provide a gridded worldmap of dynamically retrieved irrigation efficiencies reflecting differences in system types, crop types, climatic and hydrologic conditions, and overall crop management. We find pronounced regional patterns in beneficial irrigation efficiency (a refined irrigation efficiency indicator accounting for crop-productive water consumption only), due to differences in these features, with lowest values (< 30%) in South Asia and Sub-Saharan Africa and highest values (> 60%) in Europe and North America. We arrive at an estimate of global irrigation water withdrawal of 2396 km3 (2004-2009 average); irrigation water consumption is calculated to be 1212 km3, of which 511 km3 are non-beneficially consumed, i.e. lost through evaporation, interception, and conveyance. Replacing surface systems by sprinkler or drip systems could, on average across the world's river basins, reduce the non-beneficial consumption at river basin level by 54 and 76%, respectively, while maintaining the current level of crop yields. Accordingly, crop water productivity would increase by 9 and 15%, respectively, and by much more in specific regions such as in the Indus basin. This study significantly advances the global quantification of

  18. Native sulfur, sulfates and sulfides from the active Campi Flegrei volcano (southern Italy): Genetic environments and degassing dynamics revealed by mineralogy and isotope geochemistry

    NASA Astrophysics Data System (ADS)

    Piochi, Monica; Mormone, Angela; Balassone, Giuseppina; Strauss, Harald; Troise, Claudia; De Natale, Giuseppe

    2015-10-01

    We investigated sulfur-bearing minerals from the Campi Flegrei caldera, southern Italy, in relation to the increase of hydrothermal activity phenomena since 2006, aimed at providing insights into the volcanic system dynamics. Mineral encrustations and muds were sampled between 2013 and 2015 at the long-standing degassing crater of the Solfatara tuff cone and its recently restless north-eastern Pisciarelli slope. Deep-seated sulfides were further separated from two drill cores (AGIP's Mofete boreholes: 1500 m and 2695 m depth). The mineral assemblage and texture of sampled encrustations were determined by X-ray diffraction, optical and scanning electron microscopy and X-ray microanalysis by energy dispersive spectrometry. Native sulfur and alunite dominate among the newly formed mineral phases. Other minerals are mostly alunogen, and locally pickeringite, potassium alum, hematite and pyrite. Mereiterite and amarillite sporadically occur. The mud pools are rich in gypsum, potassium alum and pyrite. Quartz and argillic phases, locally with analcime, are dispersed in the outcropping rocks. δ34S values were determined for shallow subsurface native sulfur (- 5.5 to 0.0‰) and alunite (- 1.7 to - 0.2‰), as well as for the deep-seated pyrite (3.3 to 7.4‰ in the depth range:1500-2695 m). δ18O values were measured for shallow native alunite (4.2 to 7.0‰). Pisciarelli alunite was finally analyzed for its 87Sr/86Sr ratio and 143Nd/144Nd ratios (0.707517 ± 6 and 0.512459 ± 6, respectively). Textural and isotopic data constrain the genesis of alunite at the expense of K-feldspars through rock alteration by hydrothermal fluids. We suggest that the caldera is a low-sulfidation system hosting acid-sulfate deposits in its active degassing area. The acid-sulfate environment developed on an argillitic facies that thins outwards and is characteristic for steam-heated and magmatic-steam environments. These environments developed in relation to the fractured settings that

  19. The geochemistry of lithium-bearing geothermal water, Taupo Volcanic Zone, and shallow fluid processes in a very active silicic volcanic arc

    NASA Astrophysics Data System (ADS)

    Dean, A. S.; Hoskin, P. W.; Rudnick, R. L.; Liu, X.; Boseley, C.

    2011-12-01

    The Li abundances and isotopic systematics of Taupo Volcanic Zone (TVZ) geothermal fluids preserves a record of processes occurring within shallow portions of geothermal reservoirs as well as deeper portions of the arc crust. Understanding Li cycling and isotopic fractionation in TVZ geothermal systems contributes to a more refined understanding of physicochemical processes affecting New Zealand's geothermal resources. A comprehensive dataset of 73 samples was compiled, with samples collected from geothermal surface features (springs, spouters, geysers, etc.) and electric-power industry production wells, collectively representing18 geothermal fields across the breadth and width the TVZ. No comparable dataset of fluid analyses exists. Ion chromatography, AAS, and quadrupole ICP-MS analyses were done for Li, Cl-, SiO2, SO42- K, Na, Ca, Mg, B, Sr and Pb concentrations. Lithium abundance in geothermal fluids from the TVZ have a dataset-wide average of 5.9 mg/L and range 4 μg/L to 29 mg/L. The Li abundance and Li/Cl ratios for geothermal water and steam condensates vary systematically as a result of boiling, mixing, and water/rock reaction. Lithium abundance and Li/Cl ratios are, therefore, indicators of shallow (above 2.5 km) and locally variable reservoir processes. δ7Li analysis of 63 samples was performed at the University of Maryland, College Park. Data quality was controlled by measurement of L-SVEC as a calibration standard and by multiple analysis of selected samples. The average δ7Li value for TVZ geothermal fluids is -0.8%. Most δ7Li values for geothermal water fall within a small range of about -3% to+2% indicating similar processes are causing similar isotopic fractionation throughout the region. Considered together, Li aundances and δ7Li values, in combination with numerical models, indicate possible evolution pathways and water/rock reactions in TVZ geothermal systems. Models based on rocks and surface water analysis indicate that Li cycles and

  20. Geochemistry of surface and subsurface waters in quartz-sandstones: significance for the geomorphic evolution of tepui table mountains (Gran Sabana, Venezuela)

    NASA Astrophysics Data System (ADS)

    Mecchia, Marco; Sauro, Francesco; Piccini, Leonardo; De Waele, Jo; Sanna, Laura; Tisato, Nicola; Lira, Jesus; Vergara, Freddy

    2014-04-01

    In situ measurements of discharge, pH, electric conductivity (EC), temperature, and SiO2 content have been carried out during five expeditions in the last 20 years on the summit plateaus, inside caves and along the rivers of the surrounding lowlands of three tepui massifs in Venezuela (Auyan, Roraima, and Chimanta). Additionally, detailed chemical analyses were performed on waters sampled in a newly discovered extensive quartz-sandstone cave system on the Auyan Tepui. Rock samples of the quartz-sandstone bedrock from different locations have been analysed to obtain their chemical composition with a wavelength dispersive X-ray fluorescence spectrometer. These data show that the majority of silica present in surface and subsurface water comes from dissolution of quartz and only in minor amount from hydrolysis of other silicate minerals. Probably the presence of a hardened crust of iron hydroxides limits the dissolution of silica on the top surface of tepuis. Dissolution in the subsurface, instead, is more significant and causes, in the long term, the “arenisation” of the quartz-sandstone and its subsequent removal by mechanical erosion. On the other hand, waters flowing on the arkosic rock outcropping on the lowland below the tepuis obtain their high dissolved silica content mainly from hydrolysis of silicates. The morphological evolution of these table mountains appears thus to be controlled mainly by the underground weathering of the quartz-sandstone, with the opening of deep fractures (grietas) and the collapse of large underground horizontal cave systems. Scarp retreat, instead, seems to be related to the higher weathering rate of the more arkosic formations underlying the quartz-sandstones.

  1. Local Water Dynamics in Coacervated Polyelectrolytes Monitored Through Dynamic Nuclear Polarization-Enhanced 1H NMR

    PubMed Central

    Kausik, Ravinath; Srivastava, Aasheesh; Korevaar, Peter A.; Stucky, Galen; Waite, J. Herbert

    2009-01-01

    We present the first study of quantifying the diffusion coefficient of interfacial water on polyelectrolyte surfaces of systems fully dispersed in bulk water under ambient conditions. Such measurements were made possible through the implementation of a recently introduced Dynamic Nuclear Polarization (DNP) technique to selectively amplify the nuclear magnetic resonance (NMR) signal of hydration water that is interacting with specifically located spin labels on polyelectrolyte surfaces. The merit of this novel capability is demonstrated in this report through the measurement of solvent microvisosity on the surface of two types of oppositely charged polyelectrolytes, when freely dissolved versus when complexed to form a liquid-liquid colloidal phase called complex coacervates. These complex coacervates were formed through electrostatic complexation between the imidazole-based cationic homopolymer poly(N-vinylimidazole) (PVIm), and anionic polypeptide polyaspartate (PAsp) in the pH range of 4.5 – 6.0, under which conditions the coacervate droplets are highly fluidic yet densely packed with polyelectrolytes. We also investigated the rotational diffusion coefficients of the spin labels covalently bound to the polyelectrolyte chains for both PVIm and PAsp, showing a 5 fold change in the rotational correlation time as well as anisotropy parameter upon coacervation, which represents a surprisingly small decrease given the high polymer concentration inside the dense microdroplets. For both DNP and ESR experiments, the polymers were covalently tagged with stable nitroxide radical spin labels (∼1 wt %) to probe the local solvent and polymer segment dynamics. We found that the surface water diffusion coefficients near uncomplexed PVIm and PAsp at pH 8 differ, and are around D∼1.3×10−9 m2 / s. In contrast, inside the complex coacervate phase, the water diffusion coefficient in the immediate vicinity of either polyelectrolyte was D∼ 0.25×10−9 m2 / s, which is about

  2. Molecular-dynamics simulation of liquid water with an ab initio flexible water-water interaction potential

    NASA Astrophysics Data System (ADS)

    Lie, G. C.; Clementi, E.

    1986-04-01

    The Matsuoka-Clementi-Yoshimine (MCY) configuration interaction potential for rigid water-water interactions has been extended to include the intramolecular vibrations. The extended potential (MCYL), using no empirical parameters other than the atomic masses, electron charge, and Planck constant, is used in a molecular-dynamics simulation study of the static and dynamic properties of liquid water. Among the properties studied are internal energy, heat capacity, pressure, radial distribution functions, dielectric constant, static structure factor, velocity autocorrelation functions, self-diffusion coefficients, dipole autocorrelation function, and density and current fluctuations. Comparison with experiments is made whenever possible. Most of these properties are found to improve slightly relative to the MCY model. The simulated high-frequency sound mode seems to support the results and interpretation of a recent coherent inelastic neutron scattering experiment.

  3. Dynamics of groundwater-surface water interactions in urban streams

    NASA Astrophysics Data System (ADS)

    Musolff, A.; Schmidt, C.; Fleckenstein, J. H.

    2010-12-01

    In industrialized countries the majority of streams and rivers have been subject to changes in the hydrological regime and alteration of the channel morphology. Urban streams are typically characterized by “flashier” hydrographs as a result of more direct runoff from impervious surfaces. Channel structure and complexity are often impaired compared to pristine streams. As a consequence the potential for bedform-driven water flow in the streambed is reduced. The downward transport of oxygen by advective flow in the streambed is known to be of great ecological importance for the hyporheic macro and micro fauna and facilitates nutrient cycling and the degradation of organic pollutants. We studied the dynamics of groundwater-surface water exchange of two anthropogenically impacted streams in urban areas to examine the effects of variable hydrologic boundary conditions on water flux and redox conditions in the streambed. The first stream is fed by groundwater as well as storm-water from a large industrial area. Here, we monitored the variability of vertical hydraulic gradients, streambed temperature and redox conditions in the streambed over the course of 5 months. The second stream is frequently polluted by combined sewer overflows (CSO) from an urban watershed. Here, we measured the vertical hydraulic gradients, streambed temperature and electrical conductivity (EC) in the stream, the streambed and in the adjacent aquifer. Both streams are characterized by strong variations in hydraulic gradients due to the dynamic hydrographs as well as the variations in total head in the shallow aquifer. Therefore, magnitude and direction of water flux through the streambed changed significantly over time. At the first site long-term variations of redox conditions in the shallow streambed (0.1 m) were related to the direction of water fluxes. Downward water flow resulted in increased redox potentials. However, the high short-term variability of redox conditions could not be

  4. Multielement geochemistry of solid materials in geothermal systems and its applications. Part 1. Hot-water system at the Roosevelt Hot Springs KGRA, Utah

    SciTech Connect

    Bamford, R.W.; Christensen, O.D.; Capuano, R.M.

    1980-02-01

    Geochemical studies of the geothermal system at Roosevelt Hot Springs, Utah, have led to development of chemical criteria for recognition of major features of the system and to a three-dimensional model for chemical zoning in the system. Based on this improved level of understanding several new or modified geochemical exploration and assessment techniques have been defined and are probably broadly applicable to evaluation of hot-water geothermal systems. The main purpose of this work was the development or adaptation of solids geochemical exploration techniques for use in the geothermal environment. (MHR)

  5. Chicago's water market: Dynamics of demand, prices and scarcity rents

    USGS Publications Warehouse

    Ipe, V.C.; Bhagwat, S.B.

    2002-01-01

    Chicago and its suburbs are experiencing an increasing demand for water from a growing population and economy and may experience water scarcity in the near future. The Chicago metropolitan area has nearly depleted its groundwater resources to a point where interstate conflicts with Wisconsin could accompany an increased reliance on those sources. Further, the withdrawals from Lake Michigan is limited by the Supreme Court decree. The growing demand and indications of possible scarcity suggest a need to reexamine the pricing policies and the dynamics of demand. The study analyses the demand for water and develops estimates of scarcity rents for water in Chicago. The price and income elasticities computed at the means are -0.002 and 0.0002 respectively. The estimated scarcity rents ranges from $0.98 to $1.17 per thousand gallons. The results indicate that the current prices do not fully account for the scarcity rents and suggest a current rate with in the range $1.53 to $1.72 per thousand gallons.

  6. OTEC Cold Water Pipe-Platform Subsystem Dynamic Interaction Validation

    SciTech Connect

    Varley, Robert; Halkyard, John; Johnson, Peter; Shi, Shan; Marinho, Thiago

    2014-05-09

    A commercial floating 100-megawatt (MW) ocean thermal energy conversion (OTEC) power plant will require a cold water pipe (CWP) with a diameter of 10-meter (m) and length of up to 1,000 m. The mass of the cold water pipe, including entrained water, can exceed the mass of the platform supporting it. The offshore industry uses software-modeling tools to develop platform and riser (pipe) designs to survive the offshore environment. These tools are typically validated by scale model tests in facilities able to replicate real at-sea meteorological and ocean (metocean) conditions to provide the understanding and confidence to proceed to final design and full-scale fabrication. However, today’s offshore platforms (similar to and usually larger than those needed for OTEC applications) incorporate risers (or pipes) with diameters well under one meter. Secondly, the preferred construction method for large diameter OTEC CWPs is the use of composite materials, primarily a form of fiber-reinforced plastic (FRP). The use of these material results in relatively low pipe stiffness and large strains compared to steel construction. These factors suggest the need for further validation of offshore industry software tools. The purpose of this project was to validate the ability to model numerically the dynamic interaction between a large cold water-filled fiberglass pipe and a floating OTEC platform excited by metocean weather conditions using measurements from a scale model tested in an ocean basin test facility.

  7. Water expansion dynamics after pulsed IR laser heating.

    PubMed

    Hobley, Jonathan; Kuge, Yutaka; Gorelik, Sergey; Kasuya, Motohiro; Hatanaka, Koji; Kajimoto, Shinji; Fukumura, Hiroshi

    2008-09-14

    A nanosecond pulsed IR (1.9 microm) laser rapidly heated water, in an open vessel, to temperatures well below the boiling point. The subsequent dynamics of volume expansion were monitored using time-resolved interferometry in order to measure the increase in the water level in the heated area. The water expanded at less than the speed of sound, taking just less than 100 ns to increase its height by approximately 500 nm at surface temperature jumps of 20 K. The initial expansion was followed by an apparent contraction and then a re-expansion. The first expansion phase occurred more slowly than the timescale for bulk H-bond re-structuring of the water, as determined from vibrational bands in the Raman spectra, and represents the limit to the rate at which the overpressure caused by sudden heating can be released. The second phase of the expansion was caused by hydrodynamic effects and is accompanied by morphological changes resulting in light scattering as well as droplet spallation.

  8. Integrated system dynamics toolbox for water resources planning.

    SciTech Connect

    Reno, Marissa Devan; Passell, Howard David; Malczynski, Leonard A.; Peplinski, William J.; Tidwell, Vincent Carroll; Coursey, Don (University of Chicago, Chicago, IL); Hanson, Jason (University of New Mexico, Albuquerque, NM); Grimsrud, Kristine (University of New Mexico, Albuquerque, NM); Thacher, Jennifer (University of New Mexico, Albuquerque, NM); Broadbent, Craig (University of New Mexico, Albuquerque, NM); Brookshire, David; Chemak, Janie; Cockerill, Kristan; Aragon, Carlos , Socorro, NM); Hallett, Heather (New Mexico Univeristy of Technology and Mining , Socorro, NM); Vivoni, Enrique (New Mexico Univeristy of Technology and Mining , Socorro, NM); Roach, Jesse

    2006-12-01

    Public mediated resource planning is quickly becoming the norm rather than the exception. Unfortunately, supporting tools are lacking that interactively engage the public in the decision-making process and integrate over the myriad values that influence water policy. In the pages of this report we document the first steps toward developing a specialized decision framework to meet this need; specifically, a modular and generic resource-planning ''toolbox''. The technical challenge lies in the integration of the disparate systems of hydrology, ecology, climate, demographics, economics, policy and law, each of which influence the supply and demand for water. Specifically, these systems, their associated processes, and most importantly the constitutive relations that link them must be identified, abstracted, and quantified. For this reason, the toolbox forms a collection of process modules and constitutive relations that the analyst can ''swap'' in and out to model the physical and social systems unique to their problem. This toolbox with all of its modules is developed within the common computational platform of system dynamics linked to a Geographical Information System (GIS). Development of this resource-planning toolbox represents an important foundational element of the proposed interagency center for Computer Aided Dispute Resolution (CADRe). The Center's mission is to manage water conflict through the application of computer-aided collaborative decision-making methods. The Center will promote the use of decision-support technologies within collaborative stakeholder processes to help stakeholders find common ground and create mutually beneficial water management solutions. The Center will also serve to develop new methods and technologies to help federal, state and local water managers find innovative and balanced solutions to the nation's most vexing water problems. The toolbox is an important step toward achieving the technology development goals of this center.

  9. Molecular Dynamics of a Water-Lipid Bilayer Interface

    NASA Technical Reports Server (NTRS)

    Wilson, Michael A.; Pohorille, Andrew

    1994-01-01

    We present results of molecular dynamics simulations of a glycerol 1-monooleate bilayer in water. The total length of analyzed trajectories is 5ns. The calculated width of the bilayer agrees well with the experimentally measured value. The interior of the membrane is in a highly disordered fluid state. Atomic density profile, orientational and conformational distribution functions, and order parameters indicate that disorder increases toward the center of the bilayer. Analysis of out-of-plane thermal fluctuations of the bilayer surfaces occurring at the time scale of the present calculations reveals that the distribution of modes agrees with predictions of the capillary wave model. Fluctuations of both bilayer surfaces are uncorrelated, yielding Gaussian distribution of instantaneous widths of the membrane. Fluctuations of the width produce transient thinning defects in the bilayer which occasionally span almost half of the membrane. The leading mechanism of these fluctuations is the orientational and conformational motion of head groups rather than vertical motion of the whole molecules. Water considerably penetrates the head group region of the bilayer but not its hydrocarbon core. The total net excess dipole moment of the interfacial water points toward the aqueous phase, but the water polarization profile is non-monotonic. Both water and head groups significantly contribute to the surface potential across the interface. The calculated sign of the surface potential is in agreement with that from experimental measurements, but the value is markedly overestimated. The structural and electrical properties of the water-bilayer system are discussed in relation to membrane functions, in particular transport of ions and nonelectrolytes across membranes.

  10. Holistic irrigation water management approach based on stochastic soil water dynamics

    NASA Astrophysics Data System (ADS)

    Alizadeh, H.; Mousavi, S. J.

    2012-04-01

    Appreciating the essential gap between fundamental unsaturated zone transport processes and soil and water management due to low effectiveness of some of monitoring and modeling approaches, this study presents a mathematical programming model for irrigation management optimization based on stochastic soil water dynamics. The model is a nonlinear non-convex program with an economic objective function to address water productivity and profitability aspects in irrigation management through optimizing irrigation policy. Utilizing an optimization-simulation method, the model includes an eco-hydrological integrated simulation model consisting of an explicit stochastic module of soil moisture dynamics in the crop-root zone with shallow water table effects, a conceptual root-zone salt balance module, and the FAO crop yield module. Interdependent hydrology of soil unsaturated and saturated zones is treated in a semi-analytical approach in two steps. At first step analytical expressions are derived for the expected values of crop yield, total water requirement and soil water balance components assuming fixed level for shallow water table, while numerical Newton-Raphson procedure is employed at the second step to modify value of shallow water table level. Particle Swarm Optimization (PSO) algorithm, combined with the eco-hydrological simulation model, has been used to solve the non-convex program. Benefiting from semi-analytical framework of the simulation model, the optimization-simulation method with significantly better computational performance compared to a numerical Mote-Carlo simulation-based technique has led to an effective irrigation management tool that can contribute to bridging the gap between vadose zone theory and water management practice. In addition to precisely assessing the most influential processes at a growing season time scale, one can use the developed model in large scale systems such as irrigation districts and agricultural catchments. Accordingly

  11. SRP baseline hydrogeologic investigation: Aquifer characterization. Groundwater geochemistry of the Savannah River Site and vicinity

    SciTech Connect

    Strom, R.N.; Kaback, D.S.

    1992-03-31

    An investigation of the mineralogy and chemistry of the principal hydrogeologic units and the geochemistry of the water in the principal aquifers at Savannah River Site (SRS) was undertaken as part of the Baseline Hydrogeologic Investigation. This investigation was conducted to provide background data for future site studies and reports and to provide a site-wide interpretation of the geology and geochemistry of the Coastal Plain Hydrostratigraphic province. Ground water samples were analyzed for major cations and anions, minor and trace elements, gross alpha and beta, tritium, stable isotopes of hydrogen, oxygen, and carbon, and carbon-14. Sediments from the well borings were analyzed for mineralogy and major and minor elements.

  12. Global dynamical behaviors in a physical shallow water system

    NASA Astrophysics Data System (ADS)

    Tchakoutio Nguetcho, Aurélien Serge; Li, Jibin; Bilbault, Jean-Marie

    2016-07-01

    The theory of bifurcations of dynamical systems is used to investigate the behavior of travelling wave solutions in an entire family of shallow water wave equations. This family is obtained by a perturbative asymptotic expansion for unidirectional shallow water waves. According to the parameters of the system, this family can lead to different sets of known equations such as Camassa-Holm, Korteweg-de Vries, Degasperis and Procesi and several other dispersive equations of the third order. Looking for possible travelling wave solutions, we show that different phase orbits in some regions of parametric planes are similar to those obtained with the model of the pressure waves studied by Li and Chen. Many other exact explicit travelling waves solutions are derived as well, some of them being in perfect agreement with solutions obtained in previous works by researchers using different methods. When parameters are varied, the conditions under which the above solutions appear are also shown. The dynamics of singular nonlinear travelling system is completely determined for each of the above mentioned equations. Moreover, we define sufficient conditions leading to the existence of propagating wave solutions and demonstrate how and why travelling waves lose their smoothness and develop into solutions with compact support or breaking waves.

  13. Dynamic Polymer Brush at Polymer/Water Interface

    NASA Astrophysics Data System (ADS)

    Yokoyama, Hideaki; Inoue, Kazuma; Ito, Kohzo; Inutsuka, Manabu; Tanaka, Keiji; Yamada, Norifumi

    2015-03-01

    A layer of polymer chains tethered by one end to a surface is called polymer brush and known to show various unique properties such as anti-fouling. The surface segregation phenomena of copolymers with surface-active blocks should be useful for preparing such a brush layer in spontaneous process. We report hydrophilic polymer brushes formed at the interface between water and polymer by the segregation of amphiphilic diblock copolymers blended in a crosslinked rubbery matrix and call it ``dynamic polymer brush.'' In this system, the hydrophilic block with high surface energy avoids air surface, but segregates to cover the interface between hydrophobic elastomer and water. The structures of the brush layers at D2O/polymer interfaces were measured by neutron reflectivity. The dynamic polymer brush layer surprisingly reached 75% of the contour length of the chain and 2.7 chains/nm2. The brush density was surprisingly comparable to the polymer brush fabricated by the ``grafting-from'' method. We will discuss the dependence of the brush structure on molecular weight and block fraction of amphiphilic block copolymers. Such a surprisingly thick and dense polymer brush were induced by the large enthalpy gain of hydration of hydrophilic block.

  14. Geochemistry of inorganic nitrogen in waters released from coal-bed natural gas production wells in the Powder River Basin, Wyoming.

    PubMed

    Smith, Richard L; Repert, Deborah A; Hart, Charles P

    2009-04-01

    Water originating from coal-bed natural gas (CBNG) production wells typically contains ammonium and is often disposed via discharge to ephemeral channels. A study conducted in the Powder River Basin, Wyoming, documented downstream changes in CBNG water composition, emphasizing nitrogen-cycling processes and the fate of ammonium. Dissolved ammonium concentrations from 19 CBNG discharge points ranged from 95 to 527 microM. Within specific channels, ammonium concentrations decreased with transport distance, with subsequent increases in nitrite and nitrate concentrations. Removal efficiency, or uptake, oftotal dissolved inorganic nitrogen (DIN) varied between channel types. DIN uptake was greater in the gentle-sloped, vegetated channel as compared to the incised, steep, and sparsely vegetated channel and was highly correlated with diel patterns of incident light and dissolved oxygen concentration. In a larger main channel with multiple discharge inputs (n=13), DIN concentrations were >300 microM, with pH > 8.5, after 5 km of transport. Ammonium represented 25-30% of the large-channel DIN, and ammonium concentrations remained relatively constant with time, with only a weak diel pattern evident. In July 2003, the average daily large-channel DIN load was 23 kg N day(-1) entering the Powder River, an amount which substantially increased the total Powder River DIN load after the channel confluence. These results suggest that CBNG discharge may be an important source of DIN to western watersheds, at least at certain times of the year, and that net oxidation and/or removal is dependent upon the extent of contact with sediment and biomass, type of drainage channel, and time of day.

  15. Geochemistry of inorganic nitrogen in waters released from coal-bed natural gas production wells in the powder river basin, wyoming

    USGS Publications Warehouse

    Smith, R.L.; Repert, D.A.; Hart, C.P.

    2009-01-01

    Water originating from coal-bed natural gas (CBNG) production wells typically contains ammonium and is often disposed via discharge to ephemeral channels. A. study conducted in the Powder River Basin, Wyoming, documented downstream changes in CBNG water composition, emphasizing nitrogen-cycling processes and the fate of ammonium. Dissolved ammonium concentrations from 19 CBNG discharge points ranged from 95 to 527 ??M. Within specific channels, ammonium concentrations decreased with transport distance, with subsequent increases in nitrite and nitrate concentrations. Removal efficiency, or uptake, of total dissolved inorganic nitrogen (DIN) varied between channel types. DIN uptake was greater in the gentle-sloped, vegetated channel as compared to the incised, steep, and sparsely vegetated channel and was highly correlated with diel patterns of incident light and dissolved oxygen concentration. In a larger main channel with multiple discharge inputs (n = 13), DIN concentrations were >300 ??M, with pH > 8.5, after 5 km of transport. Ammonium represented 25-30% of the large-channel DIN, and ammonium concentrations remained relatively constant with time, with only a weak diel pattern evident. In July 2003, the average daily large-channel DIN load was 23 kg N day-1 entering the Powder River, an amount which substantially increased the total Powder River DIN load after the channel confluence. These results suggest that CBNG discharge may be an important source of DIN to western watersheds, at least at certain times of the year, and that net oxidation and/or removal is dependent upon the extent of contact with sediment and biomass, type of drainage channel, and time of day. ?? 2009 American Chemical Society.

  16. Geochemistry of Inorganic Nitrogen in Waters Released from Coal-Bed Natural Gas Production Wells in the Powder River Basin, Wyoming

    USGS Publications Warehouse

    Smith, Richard L.; Repert, Deborah A.; Hart, Charles P.

    2009-01-01

    Water originating from coal-bed natural gas (CBNG) production wells typically contains ammonium and is often disposed via discharge to ephemeral channels. A study conducted in the Powder River Basin, Wyoming, documented downstream changes in CBNG water composition, emphasizing nitrogen-cycling processes and the fate of ammonium. Dissolved ammonium concentrations from 19 CBNG discharge points ranged from 95 to 527 µM. Within specific channels, ammonium concentrations decreased with transport distance, with subsequent increases in nitrite and nitrate concentrations. Removal efficiency, or uptake, of total dissolved inorganic nitrogen (DIN) varied between channel types. DIN uptake was greater in the gentle-sloped, vegetated channel as compared to the incised, steep, and sparsely vegetated channel and was highly correlated with diel patterns of incident light and dissolved oxygen concentration. In a larger main channel with multiple discharge inputs (n = 13), DIN concentrations were >300 µM, with pH > 8.5, after 5 km of transport. Ammonium represented 25-30% of the large-channel DIN, and ammonium concentrations remained relatively constant with time, with only a weak diel pattern evident. In July 2003, the average daily large-channel DIN load was 23 kg N day-1 entering the Powder River, an amount which substantially increased the total Powder River DIN load after the channel confluence. These results suggest that CBNG discharge may be an important source of DIN to western watersheds, at least at certain times of the year, and that net oxidation and/or removal is dependent upon the extent of contact with sediment and biomass, type of drainage channel, and time of day.

  17. Isotope geochemistry and fluxes of carbon and organic matter in tropical small mountainous river systems and adjacent coastal waters of the Caribbean

    USGS Publications Warehouse

    Moyer, Ryan; Bauer, James; Grottoli, Andrea

    2012-01-01

    Recent studies have shown that small mountainous rivers (SMRs) may act as sources of aged and/or refractory carbon (C) to the coastal ocean, which may increase organic C burial at sea and subsidize coastal food webs and heterotrophy. However, the characteristics and spatial and temporal variability of C and organic matter (OM) exported from tropical SMR systems remain poorly constrained. To address this, the abundance and isotopic character (δ13C and Δ14C) of the three major C pools were measured in two Puerto Rico SMRs with catchments dominated by different land uses (agricultural vs. non-agricultural recovering forest). The abundance and character of C pools in associated estuaries and adjacent coastal waters were also examined. Riverine dissolved and particulate organic C (DOC and POC, respectively) concentrations were highly variable with respect to land use and sampling month, while dissolved inorganic C (DIC) was significantly higher at all times in the agricultural catchment. In both systems, riverine DOC and POC ranged from modern to highly aged (2,340 years before present), while DIC was always modern. The agricultural river and irrigation canals contained very old DOC (1,184 and 2,340 years before present, respectively), which is consistent with findings in temperate SMRs and indicates that these tropical SMRs provide a source of aged DOC to the ocean. During months of high river discharge, OM in estuarine and coastal waters had C isotope signatures reflective of direct terrestrial input, indicating that relatively unaltered OM is transported to the coastal ocean at these times. This is also consistent with findings in temperate SMRs and indicates that C transported to the coastal ocean by SMRs may differ from that of larger rivers because it is exported from smaller catchments that have steeper terrains and fewer land-use types.

  18. Geochemistry of Groundwater in the Beaver and Camas Creek Drainage Basins, Idaho

    NASA Astrophysics Data System (ADS)

    Rattray, G.

    2013-12-01

    The U.S. Geological Survey, in cooperation with the U.S. Department of Energy, is studying the fate and transport of waste solutes in the eastern Snake River Plain (ESRP) aquifer at the Idaho National Laboratory (INL) in eastern Idaho. This effort requires an understanding of the natural and anthropogenic geochemistry of groundwater at the INL and of the important physical and chemical processes controlling the geochemistry. In this study, the USGS applied geochemical modeling to investigate the geochemistry of groundwater in the Beaver and Camas Creek drainage basins, which provide groundwater recharge to the ESRP aquifer underlying the northeastern part of the INL. Data used in this study include petrology and mineralogy from two sediment and three rock samples and water-quality analyses from four surface-water and 18 groundwater samples. The mineralogy of the sediment and rock samples was analyzed with X-ray diffraction and the mineralogy and petrology of the rock samples were examined in thin sections. The water samples were analyzed for field parameters, major ions, nutrients, dissolved organic carbon, trace elements, tritium, and the stable isotope ratios of hydrogen, oxygen, carbon, sulfur, and nitrogen. The groundwater geochemistry was influenced by reactions with rocks of the geologic terranes--carbonate rocks, rhyolite, basalt, evaporite deposits, and sediment comprised of all of these rocks. Agricultural practices near and south of Dubois and application of road anti-icing liquids on U.S. Interstate Highway15 were a source of nitrate, chloride, calcium, and magnesium to groundwater. Groundwater geochemistry was successfully modeled in the alluvial aquifer in Camas Meadows and the ESRP aquifer using the geochemical modeling code PHREEQC. The primary geochemical processes appear to be precipitation of calcite and dissolution of silicate minerals. Dissolution of evaporite minerals, associated with Pleistocene Lake Terreton, is an important contributor of

  19. Geochemistry of groundwater in the Beaver and Camas Creek drainage basins, eastern Idaho

    USGS Publications Warehouse

    Rattray, Gordon W.; Ginsbach, Michael L.

    2014-01-01

    The U.S. Geological Survey (USGS), in cooperation with the U.S. Department of Energy, is studying the fate and transport of waste solutes in the eastern Snake River Plain (ESRP) aquifer at the Idaho National Laboratory (INL) in eastern Idaho. This effort requires an understanding of the natural and anthropogenic geochemistry of groundwater at the INL and of the important physical and chemical processes controlling the geochemistry. In this study, the USGS applied geochemical modeling to investigate the geochemistry of groundwater in the Beaver and Camas Creek drainage basins, which provide groundwater recharge to the ESRP aquifer underlying the northeastern part of the INL. Data used in this study include petrology and mineralogy from 2 sediment and 3 rock samples, and water-quality analyses from 4 surface-water and 18 groundwater samples. The mineralogy of the sediment and rock samples was analyzed with X-ray diffraction, and the mineralogy and petrology of the rock samples were examined in thin sections. The water samples were analyzed for field parameters, major ions, silica, nutrients, dissolved organic carbon, trace elements, tritium, and the stable isotope ratios of hydrogen, oxygen, carbon, sulfur, and nitrogen. Groundwater geochemistry was influenced by reactions with rocks of the geologic terranes—carbonate rocks, rhyolite, basalt, evaporite deposits, and sediment comprised of all of these rocks. Agricultural practices near and south of Dubois and application of road anti-icing liquids on U.S. Interstate Highway 15 were likely sources of nitrate, chloride, calcium, and magnesium to groundwater. Groundwater geochemistry was successfully modeled in the alluvial aquifer in Camas Meadows and the ESRP fractured basalt aquifer using the geochemical modeling code PHREEQC. The primary geochemical processes appear to be precipitation or dissolution of calcite and dissolution of silicate minerals. Dissolution of evaporite minerals, associated with Pleistocene Lake

  20. Adsorption dynamics of colloidal ellipsoids at oil-water interfaces

    NASA Astrophysics Data System (ADS)

    Wang, Anna; Rogers, W. Benjamin; Manoharan, Vinothan N.

    Nonspherical particles at immiscible fluid interfaces have strong interactions with each other and with the curvature of the host interface. However, the dynamics of nonspherical colloidal particles attaching to an interface have not yet been studied. We use digital holographic microscopy to image micron-sized polystyrene ellipsoids breaching an oil-water interface at hundreds of frames per second. We show that the particle height and polar angle have large fluctuations, but both change approximately logarithmic with time, likely due to contact line pinning on the surface of the particle. Equilibrium is reached on a timescale at least three orders of magnitude slower than that expected from Langevin dynamics simulations. We also find that all the trajectories collapse into straight lines when we plot particle polar angle as a function of particle height, unlike the trajectories seen in simulation. The differences between experiment and simulation suggest that contact line pinning and the shape of the three phase contact line may strongly influence the dynamics of particle adsorption.

  1. Water geochemistry of the Qiantangjiang River, East China: Chemical weathering and CO2 consumption in a basin affected by severe acid deposition

    NASA Astrophysics Data System (ADS)

    Liu, Wenjing; Shi, Chao; Xu, Zhifang; Zhao, Tong; Jiang, Hao; Liang, Chongshan; Zhang, Xuan; Zhou, Li; Yu, Chong

    2016-09-01

    The chemical composition of the Qiantangjiang River, the largest river in Zhejiang province in eastern China, was measured to understand the chemical weathering of rocks and the associated CO2 consumption and anthropogenic influences within a silicate-dominated river basin. The average total dissolved solids (TDS, 113 mg l-1) and total cation concentration (TZ+, 1357 μeq l-1) of the river waters are comparable with those of global major rivers. Ca2+ and HCO3- followed by Na2+ and SO42-, dominate the ionic composition of the river water. There are four major reservoirs (carbonates, silicates, atmospheric and anthropogenic inputs) contributing to the total dissolved load of the investigated rivers. The dissolved loads of the rivers are dominated by both carbonate and silicate weathering, which together account for about 76.3% of the total cationic load origin. The cationic chemical weathering rates of silicate and carbonate for the Qiantangjiang basin are estimated to be approximately 4.9 ton km-2 a-1 and 13.9 ton km-2 a-1, respectively. The calculated CO2 consumption rates with the assumption that all the protons involved in the weathering reaction are provided by carbonic acid are 369 × 103 mol km-2 a-1 and 273 × 103 mol km-2 a-1 by carbonate and silicate weathering, respectively. As one of the most severe impacted area by acid rain in China, H2SO4 from acid precipitation is also an important proton donor in weathering reactions. When H2SO4 is considered, the CO2 consumption rates for the river basin are estimated at 286 × 103 mol km-2 a-1 for carbonate weathering and 211 × 103 mol km-2 a-1 for silicate weathering, respectively. The results highlight that the drawdown effect of CO2 consumption by carbonate and silicate weathering can be largely overestimated if the role of sulfuric acid is ignored, especially in the area heavily impacted by acid deposition like Qiantangjiang basin. The actual CO2 consumption rates (after sulfuric acid weathering effect

  2. Observation of dynamic water microadsorption on Au surface

    SciTech Connect

    Huang, Xiaokang Gupta, Gaurav; Gao, Weixiang; Tran, Van; Nguyen, Bang; McCormick, Eric; Cui, Yongjie; Yang, Yinbao; Hall, Craig; Isom, Harold

    2014-05-15

    Experimental and theoretical research on water wettability, adsorption, and condensation on solid surfaces has been ongoing for many decades because of the availability of new materials, new detection and measurement techniques, novel applications, and different scales of dimensions. Au is a metal of special interest because it is chemically inert, has a high surface energy, is highly conductive, and has a relatively high melting point. It has wide applications in semiconductor integrated circuitry, microelectromechanical systems, microfluidics, biochips, jewelry, coinage, and even dental restoration. Therefore, its surface condition, wettability, wear resistance, lubrication, and friction attract a lot of attention from both scientists and engineers. In this paper, the authors experimentally investigated Au{sub 2}O{sub 3} growth, wettability, roughness, and adsorption utilizing atomic force microscopy, scanning electron microscopy, reflectance spectrometry, and contact angle measurement. Samples were made using a GaAs substrate. Utilizing a super-hydrophilic Au surface and the proper surface conditions of the surrounding GaAs, dynamic microadsorption of water on the Au surface was observed in a clean room environment. The Au surface area can be as small as 12 μm{sup 2}. The adsorbed water was collected by the GaAs groove structure and then redistributed around the structure. A model was developed to qualitatively describe the dynamic microadsorption process. The effective adsorption rate was estimated by modeling and experimental data. Devices for moisture collection and a liquid channel can be made by properly arranging the wettabilities or contact angles of different materials. These novel devices will be very useful in microfluid applications or biochips.

  3. Computational Fluid Dynamics Analysis of Canadian Supercritical Water Reactor (SCWR)

    NASA Astrophysics Data System (ADS)

    Movassat, Mohammad; Bailey, Joanne; Yetisir, Metin

    2015-11-01

    A Computational Fluid Dynamics (CFD) simulation was performed on the proposed design for the Canadian SuperCritical Water Reactor (SCWR). The proposed Canadian SCWR is a 1200 MW(e) supercritical light-water cooled nuclear reactor with pressurized fuel channels. The reactor concept uses an inlet plenum that all fuel channels are attached to and an outlet header nested inside the inlet plenum. The coolant enters the inlet plenum at 350 C and exits the outlet header at 625 C. The operating pressure is approximately 26 MPa. The high pressure and high temperature outlet conditions result in a higher electric conversion efficiency as compared to existing light water reactors. In this work, CFD simulations were performed to model fluid flow and heat transfer in the inlet plenum, outlet header, and various parts of the fuel assembly. The ANSYS Fluent solver was used for simulations. Results showed that mass flow rate distribution in fuel channels varies radially and the inner channels achieve higher outlet temperatures. At the outlet header, zones with rotational flow were formed as the fluid from 336 fuel channels merged. Results also suggested that insulation of the outlet header should be considered to reduce the thermal stresses caused by the large temperature gradients.

  4. (17)O NMR Investigation of Water Structure and Dynamics.

    PubMed

    Keeler, Eric G; Michaelis, Vladimir K; Griffin, Robert G

    2016-08-18

    The structure and dynamics of the bound water in barium chlorate monohydrate were studied with (17)O nuclear magnetic resonance (NMR) spectroscopy in samples that are stationary and spinning at the magic-angle in magnetic fields ranging from 14.1 to 21.1 T. (17)O NMR parameters of the water were determined, and the effects of torsional oscillations of the water molecule on the (17)O quadrupolar coupling constant (CQ) were delineated with variable temperature MAS NMR. With decreasing temperature and reduction of the librational motion, we observe an increase in the experimentally measured CQ explaining the discrepancy between experiments and predictions from density functional theory. In addition, at low temperatures and in the absence of (1)H decoupling, we observe a well-resolved (1)H-(17)O dipole splitting in the spectra, which provides information on the structure of the H2O molecule. The splitting arises because of the homogeneous nature of the coupling between the two (1)H-(17)O dipoles and the (1)H-(1)H dipole.

  5. Static and dynamical properties of heavy water at ambient conditions from first-principles molecular dynamics

    NASA Astrophysics Data System (ADS)

    Sit, P. H.-L.; Marzari, Nicola

    2005-05-01

    The static and dynamical properties of heavy water have been studied at ambient conditions with extensive Car-Parrinello molecular-dynamics simulations in the canonical ensemble, with temperatures ranging between 325 and 400K. Density-functional theory, paired with a modern exchange-correlation functional (Perdew-Burke-Ernzerhof), provides an excellent agreement for the structural properties and binding energy of the water monomer and dimer. On the other hand, the structural and dynamical properties of the bulk liquid show a clear enhancement of the local structure compared to experimental results; a distinctive transition to liquidlike diffusion occurs in the simulations only at the elevated temperature of 400K. Extensive runs of up to 50ps are needed to obtain well-converged thermal averages; the use of ultrasoft or norm-conserving pseudopotentials and the larger plane-wave sets associated with the latter choice had, as expected, only negligible effects on the final result. Finite-size effects in the liquid state are found to be mostly negligible for systems as small as 32molecules per unit cell.

  6. Organic Carbon Dynamics beyond the Perspective of Monitoring: Impact of Historical Landscape Utilization on the Past Lake-Water Carbon Trajectory in Central Boreal Sweden

    NASA Astrophysics Data System (ADS)

    Meyer-Jacob, C.; Tolu, J.; Bigler, C.; Bindler, R.

    2014-12-01

    To date, the key drivers behind the recent observed increase in organic carbon (OC) concentrations in surface waters are still controversial. The lack of long-term monitoring data - over centuries and millennia - leaves us with an ambiguous understanding of the past trajectory of OC concentrations in surface waters, and inhibits a better mechanistic understanding of past and a reliable prediction of future changes in OC levels.By using a paleolimnological approach, we reconstructed past lake-water total organic carbon (TOC) concentrations in lakes across the boreal landscape of central Sweden. Reconstructions are based on a transfer function between visible near-infrared spectra of surface sediments and the corresponding TOC concentration in the water column. Potential drivers behind changes in TOC were determined by a multi-proxy analysis of one of the studied lake sediment records including organic and inorganic geochemistry as well as biological proxies (pollen, diatoms).Our results show a significant decrease in lake-water TOC beginning already ~550 years ago. This decline continued until the mid-20th century when TOC concentrations started to increase again. These dynamics in TOC coincide with changes in proxies indicating catchment disturbance by human activities. The chronology of these changes corresponds to the expansion and decline of a landscape-wide system of summer forest grazing and farming in central Sweden from the 15th century to the turn of the 20th century. Frequent grazing and exploitation of forests and mires reduce aboveground vegetation and physically disturb soils. This further affects the carbon cycling by enhancing carbon turnover, reducing the thickness of organic soils and consequently altering the transport of OC from the catchment to lakes.Our findings suggest that recent changes in lake-water TOC in Sweden are strongly associated with historical patterns in land use and not only on-going changes in climate or sulfur deposition.

  7. Geochemistry of the Amazon Estuary

    USGS Publications Warehouse

    Smoak, Joseph M.; Krest, James M.; Swarzenski, Peter W

    2006-01-01

    The Amazon River supplies more freshwater to the ocean than any other river in the world. This enormous volume of freshwater forces the estuarine mixing out of the river channel and onto the continental shelf. On the continental shelf, the estuarine mixing occurs in a very dynamic environment unlike that of a typical estuary. The tides, the wind, and the boundary current that sweeps the continental shelf have a pronounced influence on the chemical and biological processes occurring within the estuary. The dynamic environment, along with the enormous supply of water, solutes and particles makes the Amazon estuary unique. This chapter describes the unique features of the Amazon estuary and how these features influence the processes occurring within the estuary. Examined are the supply and cycling of major and minor elements, and the use of naturally occurring radionuclides to trace processes including water movement, scavenging, sediment-water interaction, and sediment accumulation rates. The biogeochemical cycling of carbon, nitrogen, and phosphorus, and the significances of the Amazon estuary in the global mass balance of these elements are examined.

  8. Water Plan 2030: A Dynamic Education Model for Teaching Water Management Issues

    NASA Astrophysics Data System (ADS)

    Rupprecht, C.; Washburne, J.; Lansey, K.; Williams, A.

    2006-12-01

    Dynamic educational tools to assist teachers and students in recognizing the impacts of water management decisions in a realistic context are not readily available. Water policy issues are often complex and difficult for students trying to make meaningful connections between system components. To fill this need, we have developed a systems modeling-based educational decision support system (DSS) with supplementary materials. This model, called Water Plan 2030, represents a general semi-arid watershed; it allows users to examine water management alternatives by changing input values for various water uses and basin conditions and immediately receive graphical outputs to compare decisions. The main goal of our DSS model is to foster students' abilities to make knowledgeable decisions with regard to water resources issues. There are two reasons we have developed this model for traditional classroom settings. First, the DSS model provides teachers with a mechanism for educating students about inter-related hydrologic concepts, complex systems and facilitates discussion of water resources issues. Second, Water Plan 2030 encourages student discovery of cause/effect relationships in a dynamic, hands-on environment and develops the ability to realize the implications of water management alternatives. The DSS model has been utilized in an undergraduate, non-major science class for 5 course hours, each of the past 4 semesters. Accompanying the PC-based model are supplementary materials to improve the effectiveness of implementation by emphasizing important concepts and guiding learners through the model components. These materials include in-class tutorials, introductory questions, role-playing activities and homework extensions that have been revised after each user session, based on student and instructor feedback. Most recently, we have developed individual lessons that teach specific model functions and concepts. These modules provide teachers the flexibility to adapt

  9. Generic reactive transport codes as flexible tools to integrate soil organic matter degradation models with water, transport and geochemistry in soils

    NASA Astrophysics Data System (ADS)

    Jacques, Diederik; Gérard, Fréderic; Mayer, Uli; Simunek, Jirka; Leterme, Bertrand

    2016-04-01

    A large number of organic matter degradation, CO2 transport and dissolved organic matter models have been developed during the last decades. However, organic matter degradation models are in many cases strictly hard-coded in terms of organic pools, degradation kinetics and dependency on environmental variables. The scientific input of the model user is typically limited to the adjustment of input parameters. In addition, the coupling with geochemical soil processes including aqueous speciation, pH-dependent sorption and colloid-facilitated transport are not incorporated in many of these models, strongly limiting the scope of their application. Furthermore, the most comprehensive organic matter degradation models are combined with simplified representations of flow and transport processes in the soil system. We illustrate the capability of generic reactive transport codes to overcome these shortcomings. The formulations of reactive transport codes include a physics-based continuum representation of flow and transport processes, while biogeochemical reactions can be described as equilibrium processes constrained by thermodynamic principles and/or kinetic reaction networks. The flexibility of these type of codes allows for straight-forward extension of reaction networks, permits the inclusion of new model components (e.g.: organic matter pools, rate equations, parameter dependency on environmental conditions) and in such a way facilitates an application-tailored implementation of organic matter degradation models and related processes. A numerical benchmark involving two reactive transport codes (HPx and MIN3P) demonstrates how the process-based simulation of transient variably saturated water flow (Richards equation), solute transport (advection-dispersion equation), heat transfer and diffusion in the gas phase can be combined with a flexible implementation of a soil organic matter degradation model. The benchmark includes the production of leachable organic matter

  10. Quantifying Salmonella population dynamics in water and biofilms.

    PubMed

    Sha, Qiong; Vattem, Dhiraj A; Forstner, Michael R J; Hahn, Dittmar

    2013-01-01

    Members of the bacterial genus Salmonella are recognized worldwide as major zoonotic pathogens often found to persist in non-enteric environments including heterogeneous aquatic biofilms. In this study, Salmonella isolates that had been detected repeatedly over time in aquatic biofilms at different sites in Spring Lake, San Marcos, Texas, were identified as serovars Give, Thompson, Newport and -:z10:z39. Pathogenicity results from feeding studies with the nematode Caenorhabditis elegans as host confirmed that these strains were pathogenic, with Salmonella-fed C. elegans dying faster (mean survival time between 3 and 4 days) than controls, i.e., Escherichia coli-fed C. elegans (mean survival time of 9.5 days). Cells of these isolates inoculated into water at a density of up to 10(6) ml(-1) water declined numerically by 3 orders of magnitude within 2 days, reaching the detection limit of our quantitative polymerase chain reaction (qPCR)-based quantification technique (i.e., 10(3) cells ml(-1)). Similar patterns were obtained for cells in heterogeneous aquatic biofilms developed on tiles and originally free of Salmonella that were kept in the inoculated water. Cell numbers increased during the first days to more than 10(7) cells cm(-2), and then declined over time. Ten-fold higher cell numbers of Salmonella inoculated into water or into biofilm resulted in similar patterns of population dynamics, though cells in biofilms remained detectable with numbers around 10(4) cells cm(-2) after 4 weeks. Independent of detectability by qPCR, samples of all treatments harbored viable salmonellae that resembled the inoculated isolates after 4 weeks of incubation. These results demonstrate that pathogenic salmonellae were isolated from heterogeneous aquatic biofilms and that they could persist and stay viable in such biofilms in high numbers for some time.

  11. Geochemistry of the Cambrian-Ordovician aquifer system in the northern midwest, United States

    SciTech Connect

    Siegel, D.I.

    1989-01-01

    The geochemistry of the Cambrian-Ordovician aquifer system was modified during the Pleistocene by large-scale emplacement of glacial meltwater, as indicated by large-scale emplacement of glacial meltwater, as indicated by the investigation of stable isotopes of water, and a plume of dilute water that trends perpendicular to the direction of ground-water flow in Iowa and Missouri. Ground water in this part of the aquifer system could be hundreds of thousands of years old.

  12. Surface geochemistry of the clay minerals

    PubMed Central

    Sposito, Garrison; Skipper, Neal T.; Sutton, Rebecca; Park, Sung-ho; Soper, Alan K.; Greathouse, Jeffery A.

    1999-01-01

    Clay minerals are layer type aluminosilicates that figure in terrestrial biogeochemical cycles, in the buffering capacity of the oceans, and in the containment of toxic waste materials. They are also used as lubricants in petroleum extraction and as industrial catalysts for the synthesis of many organic compounds. These applications derive fundamentally from the colloidal size and permanent structural charge of clay mineral particles, which endow them with significant surface reactivity. Unraveling the surface geochemistry of hydrated clay minerals is an abiding, if difficult, topic in earth sciences research. Recent experimental and computational studies that take advantage of new methodologies and basic insights derived from the study of concentrated ionic solutions have begun to clarify the structure of electrical double layers formed on hydrated clay mineral surfaces, particularly those in the interlayer region of swelling 2:1 layer type clay minerals. One emerging trend is that the coordination of interlayer cations with water molecules and clay mineral surface oxygens is governed largely by cation size and charge, similarly to a concentrated ionic solution, but the location of structural charge within a clay layer and the existence of hydrophobic patches on its surface provide important modulations. The larger the interlayer cation, the greater the influence of clay mineral structure and hydrophobicity on the configurations of adsorbed water molecules. This picture extends readily to hydrophobic molecules adsorbed within an interlayer region, with important implications for clay–hydrocarbon interactions and the design of catalysts for organic synthesis. PMID:10097044

  13. Molecular properties of aqueous solutions: a focus on the collective dynamics of hydration water.

    PubMed

    Comez, L; Paolantoni, M; Sassi, P; Corezzi, S; Morresi, A; Fioretto, D

    2016-07-07

    When a solute is dissolved in water, their mutual interactions determine the molecular properties of the solute on one hand, and the structure and dynamics of the surrounding water particles (the so-called hydration water) on the other. The very existence of soft matter and its peculiar properties are largely due to the wide variety of possible water-solute interactions. In this context, water is not an inert medium but rather an active component, and hydration water plays a crucial role in determining the structure, stability, dynamics, and function of matter. This review focuses on the collective dynamics of hydration water in terms of retardation with respect to the bulk, and of the number of molecules whose dynamics is perturbed. Since water environments are in a dynamic equilibrium, with molecules continuously exchanging from around the solute towards the bulk and vice versa, we examine the ability of different techniques to measure the water dynamics on the basis of the explored time scales and exchange rates. Special emphasis is given to the collective dynamics probed by extended depolarized light scattering and we discuss whether and to what extent the results obtained in aqueous solutions of small molecules can be extrapolated to the case of large biomacromolecules. In fact, recent experiments performed on solutions of increasing complexity clearly indicate that a reductionist approach is not adequate to describe their collective dynamics. We conclude this review by presenting current ideas that are being developed to describe the dynamics of water interacting with macromolecules.

  14. Chemical "Double Slits": dynamical interference of photodissociation pathways in water

    PubMed

    Dixon; Hwang; Yang; Harich; Lin; Yang

    1999-08-20

    Photodissociation of water at a wavelength of 121.6 nanometers has been investigated by using the H-atom Rydberg tagging technique. A striking even-odd intensity oscillation was observed in the OH(X) product rotational distribution. Model calculations attribute this oscillation to an unusual dynamical interference brought about by two dissociation pathways that pass through dissimilar conical intersections of potential energy surfaces, but result in the same products. The interference pattern and the OH product rotational distribution are sensitive to the positions and energies of the conical intersections, one with the atoms collinear as H-OH and the other as H-HO. An accurate simulation of the observations would provide a detailed test of global H(2)O potential energy surfaces for the three (&Xtilde;/A/&Btilde;) contributing states. The interference observed from the two conical intersection pathways provides a chemical analog of Young's well-known double-slit experiment.

  15. Dynamics of Chaetoceros socialis blooms in the North Water

    NASA Astrophysics Data System (ADS)

    Booth, B. C.; Larouche, P.; Bélanger, S.; Klein, B.; Amiel, D.; Mei, Z.-P.

    The North Water, a large polynya in northern Baffin Bay, has an extensive period of continuous primary production lasting up to 6 months. The well-known richness of this polynya in higher trophic levels, including numerous marine mammals and birds, must be based on the magnitude and duration of that production. As part of the International North Water Polynya Study, we observed that two groups of phytoplankton were responsible for most of the primary production in 1997-1999: the large centric diatoms, Thalassiosira spp., and the smaller, colonial centric diatom, Chaetoceros socialis Lauder. We studied the phytoplankton community assemblage in the North Water in August 1997, April-July 1998, and August-September 1999 using epifluorescence microscopy on samples fixed and filtered at sea, with unpreserved cells observed in July 1998. Blooms of C. socialis occurred at southern stations in June and throughout the polynya from July to September. Maximum concentrations reached 30,100 cells ml -1 (496 μg C l -1) in the western area in early July. Blooms of C. socialis directly followed those of Thalassiosira spp., which were more intense but also more transient. C. socialis appeared to maintain its population in the euphotic layer for up to 3 months by surviving at low nutrient levels, sinking to depths where dynamic physical regimes brought nutrient replenishment, and producing resting spores (up to 233 μg C l -1). The resting spores may survive low-nutrient periods and be introduced, some from fecal pellets, to waters of more favorable growth conditions; in July, 86% of fecal pellets and 76% of aggregates observed in shallow, floating sediment traps contained resting spores of C. socialis. Colonies of C. socialis were a potential mid-water food source and major contributor to the benthos: C. socialis contributed up to 91% of total phytoplankton cells (49% phytoplankton carbon) identified in moored sediment traps. Mats of polymer gels (mucous), likely formed from the

  16. Ab initio and classical molecular dynamics studies of the structural and dynamical behavior of water near a hydrophobic graphene sheet.

    PubMed

    Rana, Malay Kumar; Chandra, Amalendu

    2013-05-28

    The behavior of water near a graphene sheet is investigated by means of ab initio and classical molecular dynamics simulations. The wetting of the graphene sheet by ab initio water and the relation of such behavior to the strength of classical dispersion interaction between surface atoms and water are explored. The first principles simulations reveal a layered solvation structure around the graphene sheet with a significant water density in the interfacial region implying no drying or cavitation effect. It is found that the ab initio results of water density at interfaces can be reproduced reasonably well by classical simulations with a tuned dispersion potential between the surface and water molecules. Calculations of vibrational power spectrum from ab initio simulations reveal a shift of the intramolecular stretch modes to higher frequencies for interfacial water molecules when compared with those of the second solvation later or bulk-like water due to the presence of free OH modes near the graphene sheet. Also, a weakening of the water-water hydrogen bonds in the vicinity of the graphene surface is found in our ab initio simulations as reflected in the shift of intermolecular vibrational modes to lower frequencies for interfacial water molecules. The first principles calculations also reveal that the residence and orientational dynamics of interfacial water are somewhat slower than those of the second layer or bulk-like molecules. However, the lateral diffusion and hydrogen bond relaxation of interfacial water molecules are found to occur at a somewhat faster rate than that of the bulk-like water molecules. The classical molecular dynamics simulations with tuned Lennard-Jones surface-water interaction are found to produce dynamical results that are qualitatively similar to those of ab initio molecular dynamics simulations.

  17. Dynamic Change of Water Quality in Hyporheic Zone at Water Curtain Cultivation Area, Cheongju, Korea

    NASA Astrophysics Data System (ADS)

    Moon, S. H.; Kim, Y.

    2015-12-01

    There has been recently growing numbers of facilities for water curtain cultivation of strawberry and lettuce in Korea. These areas are nearly all located in the fluvial deposits near streams which can replenish water resources into exhausted groundwater aquifers during peak season. The purpose of this study is on groundwater chemistry and the change in physical and chemical properties due to stream-groundwater exchange or mixing in the representative agricultural area among the Jurassic granitic terrain of Korea. In the study area, groundwater level continuously decreased from November through March due to intensive use of groundwater, which forced stream water into aquifer. After March, groundwater level was gradually recovered to the original state. To evaluate the extent and its variations of stream water mixing into aquifer, field parameters including T, pH, EC and DO values, concentrations of major ions and oxygen and hydrogen stable isotopic ratios were used. Field measurements and water sample collections were performed several times from 2012 to 2015 mainly during peak time of groundwater use. To compare the temporal variations and areal differences, 21 wells from four cross sections perpendicular to stream line were used. While water temperature, EC values and concentrations of Ca, Mg, Si, HCO3 showed roughly gradual increase from stream line to 150 m distance, pH and DO values showed reverse phenomenon. This can be used to evaluate the extent and limit of stream water introduction into aquifer. However, individual wells showed yearly variations in those parameters and this dynamic and unstable feature indicates that mixing intensity of stream water over groundwater in this hyporheic zone varied year by year according to amounts of groundwater use and decrease of groundwater level.

  18. Ionization dynamics of water dimer on ice surface

    NASA Astrophysics Data System (ADS)

    Tachikawa, Hiroto

    2016-05-01

    The solid surface provides an effective two-dimensional reaction field because the surface increases the encounter probability of bi-molecular collision reactions. Also, the solid surface stabilizes a reaction intermediate because the excess energy generated by the reaction dissipates into the bath modes of surface. The ice surface in the universe is one of the two dimensional reaction fields. However, it is still unknown how the ice surface affects to the reaction mechanism. In the present study, to elucidate the specific property of the ice surface reaction, ionization dynamics of water dimer adsorbed on the ice surface was theoretically investigated by means of direct ab-initio molecular dynamics (AIMD) method combined with ONIOM (our own n-layered integrated molecular orbital and molecular mechanics) technique, and the result was compared with that of gas phase reaction. It was found that a proton is transferred from H2O+ to H2O within the dimer and the intermediate complex H3O+(OH) is formed in both cases. However, the dynamic features were different from each other. The reaction rate of the proton transfer on the ice surface was three times faster than that in the gas phase. The intermediate complex H3O+(OH) was easily dissociated to H3O+ and OH radical on the ice surface, and the lifetime of the complex was significantly shorter than that of gas phase (100 fs vs. infinite). The reason why the ice surface accelerates the reaction was discussed in the present study.

  19. Shallow Water Dynamics in the Arabian Gulf and Gulf of Oman

    DTIC Science & Technology

    2016-06-07

    Shallow Water Dynamics in the Arabian Gulf and Gulf of Oman Dr. Cheryl Ann Blain Naval Research Laboratory, Ocean Dynamics and Prediction Branch...of a circulation model for the Arabian Gulf and connecting waters that realistically predicts the complex, 3-D circulation and mixing patterns in the...number. 1. REPORT DATE 30 SEP 1999 2. REPORT TYPE 3. DATES COVERED 00-00-1999 to 00-00-1999 4. TITLE AND SUBTITLE Shallow Water Dynamics in

  20. Water Dynamics in Gyroid Phases of Self-Assembled Gemini Surfactants

    SciTech Connect

    Roy, Santanu; Skoff, David; Perroni, Dominic V.; Mondal, Jagannath; Yethiraj, Arun; Mahanthappa, Mahesh K.; Zanni, Martin T.; Skinner, James L.

    2016-02-14

    Water-mediated ion transport through functional nanoporous materials depends on the dynamics of water confined within a given nanostructured morphology. In this study, we investigate hydrogen-bonding dynamics of interfacial water within a ‘normal’ (Type I) lyotropic gyroid phase formed by a gemini dicarboxylate surfactant self-assembly using a combina- tion of 2DIR spectroscopy and molecular dynamics simulations. Experiments and simulations demonstrate that water dynamics in the normal gyroid phase is one order of magnitude slower than that in bulk water, due to specific interactions between water, the ionic surfactant headgroups, and counterions. However, the dynamics of water in the normal gyroid phase are faster than those of water confined in a reverse spherical micelle of a sulfonate surfactant, given that the water pool in the reverse micelle and the water pore in the gyroid phase have roughly the same diameters. This difference in confined water dynamics likely arises from the significantly reduced curvature- induced frustration at the convex interfaces of the normal gyroid, as compared to the concave interfaces of a reverse spherical micelle. These detailed insights into confined water dynamics may guide the future design of artificial membranes that rapidly transport protons and other ions.

  1. Water Dynamics in Gyroid Phases of Self-Assembled Gemini Surfactants

    DOE PAGES

    Roy, Santanu; Skoff, David; Perroni, Dominic V.; ...

    2016-02-14

    Water-mediated ion transport through functional nanoporous materials depends on the dynamics of water confined within a given nanostructured morphology. In this study, we investigate hydrogen-bonding dynamics of interfacial water within a ‘normal’ (Type I) lyotropic gyroid phase formed by a gemini dicarboxylate surfactant self-assembly using a combina- tion of 2DIR spectroscopy and molecular dynamics simulations. Experiments and simulations demonstrate that water dynamics in the normal gyroid phase is one order of magnitude slower than that in bulk water, due to specific interactions between water, the ionic surfactant headgroups, and counterions. However, the dynamics of water in the normal gyroid phasemore » are faster than those of water confined in a reverse spherical micelle of a sulfonate surfactant, given that the water pool in the reverse micelle and the water pore in the gyroid phase have roughly the same diameters. This difference in confined water dynamics likely arises from the significantly reduced curvature- induced frustration at the convex interfaces of the normal gyroid, as compared to the concave interfaces of a reverse spherical micelle. These detailed insights into confined water dynamics may guide the future design of artificial membranes that rapidly transport protons and other ions.« less

  2. Germanium geochemistry and mineralogy

    USGS Publications Warehouse

    Bernstein, L.R.

    1985-01-01

    Germanium is enriched in the following geologic environments: 1. (1) iron meteorites and terrestrial iron-nickel; 2. (2) sulfide ore deposits, particularly those hosted by sedimentary rocks; 3. (3) iron oxide deposits; 4. (4) oxidized zones of Ge-bearing sulfide deposits; 5. (5) pegmatites, greisens, and skarns; and 6. (6) coal and lignitized wood. In silicate melts, Ge is highly siderophile in the presence of native iron-nickel; otherwise, it is highly lithophile. Among silicate minerals, Ge is concentrated in those having less polymerized silicate tetrahedra such as olivine and topaz. In deposits formed from hydrothermal solutions, Ge tends to be enriched mostly in either sulfides or in fluorine-bearing phases; it is thus concentrated both in some hydrothermal sulfide deposits and in pegmatites, greisens, and skarns. In sulfide deposits that formed from solutions having low to moderate sulfur activity, Ge is concentrated in sphalerite in amounts up to 3000 ppm. Sulfide deposits that formed from solutions having higher sulfur activity allowed Ge to either form its own sulfides, particularly with Cu, or to substitute for As, Sn, or other metals in sulfosalts. The Ge in hydrothermal fluids probably derives from enrichment during the fractional crystallization of igneous fluids, or is due to the incorporation of Ge from the country rocks, particularly from those containing organic material. Germanium bonds to lignin-derivative organic compounds that are found in peat and lignite, accounting for its common concentration in coals and related organic material. Germanium is precipitated from water together with iron hydroxide, accounting for its concentration in some sedimentary and supergene iron oxide deposits. It also is able to substitute for Fe in magnetite in a variety of geologic environments. In the oxidized zone of Ge-bearing sulfide deposits, Ge is concentrated in oxides, hydroxides, and hydroxy-sulfates, sometimes forming its own minerals. It is particularly

  3. The Role of Vegetation Dynamics on the Soil Water Balance in Water-Limited Ecosystems

    NASA Astrophysics Data System (ADS)

    Montaldo, N.; Rondena, R.; Albertson, J. D.; Mancini, M.

    2003-12-01

    The structure and function of the vegetation regulates the exchange of mass, energy and momentum across the biosphere-atmosphere interface. Vegetation dynamics are usually neglected, other than seasonal phenology, in land surface models (LSMs). However, changes in vegetation densities, influencing the partitioning of incoming solar energy into sensible and latent heat fluxes, can result in long-term changes in both local and global climates (e.g., precipitation and temperature), which in turn will feedback to affect the vegetation growth. In semi-arid regions, this may result in persistent drought and desertification, with substantial impacts on the human populations of these regions through reduction in agricultural productivity and reduction in quantity and quality of water supply. With an objective of finding a simple vegetation model able to accurately simulate the leaf area index (LAI) dynamics, vegetation models of different level of complexity (e.g., including or not the modeling of the root biomass or the modeling of the dead biomass) are developed and compared. The vegetation dynamics models are coupled to a LSM, with the vegetation models providing the green biomass and the LAI evolution through time, and the LSM using this information in the computation of the land surface fluxes and updating the soil water content in the root-zone. We explore the models on a case study of a water limited grass field in California. Results show that a simple vegetation model that simulates the living aboveground green biomass (i.e., with low parameterization and computational efforts) is able to accurately simulate the LAI. Results also highlight the importance of including the plant growth model in the LSM when studying the climate-soil-vegetation interactions and the impact of watershed management practices on the scarce water resources over moderate to long time scales. The inclusion of the vegetation model in the LSM is demonstrated to be essential for assessing the

  4. Trout production dynamics and water quality in Minnesota streams

    USGS Publications Warehouse

    Kwak, T.J.; Waters, T.F.

    1997-01-01

    We sampled fish assemblages and quantified production dynamics of brook trout Salvelinus fontinalis, brown trout Salmo trutta, and rainbow trout Oncorhynchus mykiss in 13 southeastern Minnesota streams during 1988-1990 to examine the influence of water quality on fish populations in fertile trout streams. Fish assemblages in 15 stream reaches were abundant, but low in diversity; 13 species were collected. Parameter means (ranges) over the reaches were species richness, 4.1 (1-8); density, 29,490 (1,247-110,602) fish/ha; and biomass, 253.5 (49.6-568.6) kg/ha. Means (ranges) for salmonids were annual mean density, 2,279 (343-8,096) fish/ha; annual mean biomass, 162.0 (32.5-355.5) kg/ha; and annual production, 155.6 (36.7-279.6) kg/ha. Salmoid production and mean biomass were greater during the spring-fall interval than during fall-spring; young cohorts (ages 0-1) contributed the greatest proprotion to population biomass and production. Salmonid annual production-to-mean-biomass ratio (P/B??) averaged 1.06 (0.64-1.42), and means were significantly different among species (1.03 for brown trout, 1.54 for brook trout, and 1.92 for rainbow trout). A significant linear model was developed that describes P/B?? as an inverse function of population age structure and may be used to improve accuracy in approximations of annual productions from mean biomass. Fish density, biomass, or production were not correlated with eight water quality variables describing ionic and nutrient content in these streams, but when data from other United States streams with a wide range in alkalinity were incorporated, salmonid production was strongly, positively correlated with alkalinity. The wide range in fish population and production statistics and their lack of correlation with water quality suggest that no uniform fish carrying capacity exists among these streams and that factors other than water fertility limit fish density, biomass and productivity at this spatia scale, but the overall

  5. Nitrogen dynamics at the groundwater-surface water interface of a degraded urban stream (journal)

    EPA Science Inventory

    Urbanization degrades stream ecosystems by altering hydrology and nutrient dynamics, yet relatively little effort has been devoted to understanding biogeochemistry of urban streams at the ground water-surface water interface. This zone may be especially important for nitrogen re...

  6. Leaf water dynamics of Arabidopsis thaliana monitored in-vivo using terahertz time-domain spectroscopy

    PubMed Central

    Castro-Camus, E.; Palomar, M.; Covarrubias, A. A.

    2013-01-01

    The declining water availability for agriculture is becoming problematic for many countries. Therefore the study of plants under water restriction is acquiring extraordinary importance. Botanists currently follow the dehydration of plants comparing the fresh and dry weight of excised organs, or measuring their osmotic or water potentials; these are destructive methods inappropriate for in-vivo determination of plants' hydration dynamics. Water is opaque in the terahertz band, while dehydrated biological tissues are partially transparent. We used terahertz spectroscopy to study the water dynamics of Arabidopsis thaliana by comparing the dehydration kinetics of leaves from plants under well-irrigated and water deficit conditions. We also present measurements of the effect of dark-light cycles and abscisic acid on its water dynamics. The measurements we present provide a new perspective on the water dynamics of plants under different external stimuli and confirm that terahertz can be an excellent non-contact probe of in-vivo tissue hydration. PMID:24105302

  7. Leaf water dynamics of Arabidopsis thaliana monitored in-vivo using terahertz time-domain spectroscopy.

    PubMed

    Castro-Camus, E; Palomar, M; Covarrubias, A A

    2013-10-09

    The declining water availability for agriculture is becoming problematic for many countries. Therefore the study of plants under water restriction is acquiring extraordinary importance. Botanists currently follow the dehydration of plants comparing the fresh and dry weight of excised organs, or measuring their osmotic or water potentials; these are destructive methods inappropriate for in-vivo determination of plants' hydration dynamics. Water is opaque in the terahertz band, while dehydrated biological tissues are partially transparent. We used terahertz spectroscopy to study the water dynamics of Arabidopsis thaliana by comparing the dehydration kinetics of leaves from plants under well-irrigated and water deficit conditions. We also present measurements of the effect of dark-light cycles and abscisic acid on its water dynamics. The measurements we present provide a new perspective on the water dynamics of plants under different external stimuli and confirm that terahertz can be an excellent non-contact probe of in-vivo tissue hydration.

  8. EFFECT OF TEMPERATURE AND GLYCEROL ON THE HYDROGEN-BOND DYNAMICS OF WATER

    SciTech Connect

    Ghattyvenkatakrishna, Pavan K; Uberbacher, Edward C

    2013-01-01

    The effect of glycerol, water and glycerol-water binary mixtures on the structure and dynamics of biomolecules has been well studied. However, the effect of varying glycerol concentration and temperature on the dynamics of water has not received due attention. We have studied the effect of concentration and temperature on the hydrogen bonded network formed by water molecules. A strong correlation between the relaxation time of the network and average number of hydrogen bonds per water molecules was found. The radial distribution function of water oxygens and hydrogens clarifies the effect of concentration on the structure and clustering of water.

  9. Overview of fundamental geochemistry basic research at the Oak Ridge National Laboratory

    SciTech Connect

    Anovitz, L.M.; Benezeth, P.; Blencoe, J.G.

    1996-01-01

    Researchers in ORNL`s Geochemistry and High Temperature Aqueous Chemistry groups are conducting detailed experimental studies of physicochemical properties of the granite-melt-brine system; sorption of water on rocks from steam-dominated reservoirs; partitioning of salts and acid volatiles between brines and steam; effects of salinity on H and O isotope partitioning between brines, minerals, and steam; and aqueous geochemistry of Al. These studies contribute in many ways to cost reductions and improved efficiency in the discovery, characterization, and production of energy from geothermal resources.

  10. Comparing the relationship between precipitation and river geochemistry

    NASA Astrophysics Data System (ADS)

    Epp, A.; Luymes, R.; Bennett, M.; DaSilva, J.; Marsh, S. J.; Gillies, S. L.; Peucker-Ehrenbrink, B.; Voss, B.

    2013-12-01

    The geochemistry of precipitation affects the geochemistry of river water. Ideally, studies of river biogeochemistry should therefore include collection and analyses of dry and wet deposition. The Global Rivers Observatory has studied the Fraser River near Vancouver since the summer of 2009 at roughly bi-weekly resolution. The interpretation of this temporal record of river biogeochemistry, particularly the various sources of solutes, could be improved with a better understanding of atmospheric contributions. In this study precipitation and river water will be analysed from the Fraser River basin for nutrients as well as major and select trace ion concentrations. The nutrients analyzed will include ammonium (NH4), nitrate and nitrate (NO3-NO2), phosphate (PO4) and silicate (SiO4). Major ions include sodium (Na), potassium (K), calcium (Ca), magnesium (Mg), chloride (Cl), and sulfate (SO4). Trace elements may include molybdenum, strontium, barium, uranium, rubidium, manganese and iron. Samples will be collected using the bulk method which collects both wet and dry deposition . Correlating precipitation chemistry with data on wind direction may help elucidate sources of nutrients and major ions. For instance, westerly sources may transport pollution from the City of Vancouver and agricultural lands in the Fraser delta. Such pollutants may increase the acidity of precipitation and imprint the water chemistry with a unique chemical signature . The results of this study will be helpful in correcting Fraser River water data for contributions from atmospheric deposition.

  11. Effects of Disaccharide Sugars on Dynamics of Water Molecules: Dynamic Light Scattering and Dielectric Loss Spectroscopy Studies

    NASA Astrophysics Data System (ADS)

    Seo, Jeong-Ah; Kwon, Hyun-Joung; Kim, Hyung Kook; Hwang, Yoon-Hwae

    2008-02-01

    We studied the effects of disaccharide sugars (trehalose, sucrose, and maltose) on the dynamics of water molecules in sugar-water mixtures. We measured the acoustic phonons in sugar-water mixtures with different sugar contents by using a Sandercock Tandem 6-pass Febry-Petor interferometer and found that the Brillouin peak positions shifted to higher frequencies as the sugar concentration increased. We also measured the dielectric loss of hydrogen bonds in water molecules in sugar-water mixtures by using a Network analyzer with different sugar contents. The loss peak position in the dielectric loss spectra moved to lower frequencies as the sugar contents increased. The trehalose-water mixture showed the largest Brillouin peak shift and relaxation time change with increasing sugar content among three disaccharides indicating that the effect of trehalose on the dynamics of water molecules is the strongest. This unique property of trehalose sugar might be the origin of the superior bio-protection ability of trehalose.

  12. Dynamics of controlled release systems based on water-in-water emulsions: a general theory.

    PubMed

    Sagis, Leonard M C

    2008-10-06

    Phase-separated biopolymer solutions, and aqueous dispersions of hydrogel beads, liposomes, polymersomes, aqueous polymer microcapsules, and colloidosomes are all examples of water-in-water emulsions. These systems can be used for encapsulation and controlled release purposes, in for example food or pharmaceutical applications. The stress-deformation behavior of the droplets in these systems is very complex, and affected by mass transfer across the interface. The relaxation time of a deformation of a droplet may depend on interfacial properties such as surface tension, bending rigidity, spontaneous curvature, permeability, and interfacial viscoelasticity. It also depends on bulk viscoelasticity and composition. A non-equilibrium thermodynamic model is developed for the dynamic behavior of these systems, which incorporates all these parameters, and is based on the interfacial transport phenomena (ITP) formalism. The ITP formalism allows us to describe all water-in-water emulsions with one general theory. Phase-separated biopolymer solutions, and dispersions of hydrogel beads, liposomes, polymersomes, polymer microcapsules, and colloidosomes are basically limiting cases of this general theory with respect to bulk and interfacial rheological behavior.

  13. Molecular dynamics simulations of water, solution, and clay mineral-water systems (Invited)

    NASA Astrophysics Data System (ADS)

    Kawamura, K.

    2009-12-01

    Clays and clay minerals together with zeolites are major mineral components in the earth's surface environment. These minerals interact with the atmosphere, natural water, inorganic and organic components in soils, etc. Physicochemical processes in the surface region are generally complex and difficult to understand because of the complicated "molecular" structures and the ambient conditions under wet circumstances. We have investigated the structure and physical/dynamical properties of the mineral-gas/liquid systems by means of molecular simulation methods; molecular dynamics and Metropolis Monte Carlo methods. Swelling of smectite and adsorption of inorganic molecules in clay minerals and zeolites, etc. were simulated and analyzed on the basis of the atomic and molecular processes. We have developed atomic and molecular interaction models of inorganic systems. The models compose of electrostatic, short range repulsive, van der Waals and covalent (radial and angular) terms with respect to all the elements appeared in the mineral-water systems. All of our molecular dynamics simulations (MD) were performed with full degree of freedom of atom motions. Using the model for H2O molecule, the structure and physical properties such as density, diffusion coefficients, etc. of ice polymorphs and water are well reproduced. Alkaliharide aqueous solutions and gas hydrates and their (hydrophobic) solutions are also reasonably simulated. Clay mineral-water interactions are particularly important to understand the mechanical and chemical processes in the environments, in order to develop nano-composite materials, and to use clays in engineering applications. Absorption and swelling are the most remarkable properties of clay minerals, specially smectite. We have investigate these properties by means of molecular simulation methods using various clay minerals-water/solution systems. The swelling curves, the relation between humidity and the basal spacings, were reproduced

  14. Geochemistry

    ERIC Educational Resources Information Center

    Brett, Robin; Hanshaw, Bruce B.

    1978-01-01

    The past year has seen the development of certain fields of geochemical research including Nd-Sm isotope studies of meteorites and ancient terrestrial rocks; the use of the consortium approach of assembling a multidisciplined team to tackle a problem; and the handling and analysis of small quantities of materials. (Author/MA)

  15. Water structure and dynamics in phosphate fluorosurfactant based reverse micelle: A computer simulation study

    NASA Astrophysics Data System (ADS)

    Senapati, Sanjib; Berkowitz, Max L.

    2003-01-01

    We performed a molecular dynamics simulation on a system containing a water pool inside the reverse micelle made up of an assembly of phosphate fluorosurfactant molecules dissolved in supercritical carbon dioxide. The water molecules in the first solvation shell of the headgroup lose the water to water tetrahedral hydrogen bonded network but are strongly bonded to the surfactant headgroups. This change in inter-water hydrogen bonding in connection with the confined geometry of the reverse micelle slows down the translational and especially the rotational dynamics of water.

  16. Optimization of conventional water treatment plant using dynamic programming.

    PubMed

    Mostafa, Khezri Seyed; Bahareh, Ghafari; Elahe, Dadvar; Pegah, Dadras

    2015-12-01

    In this research, the mathematical models, indicating the capability of various units, such as rapid mixing, coagulation and flocculation, sedimentation, and the rapid sand filtration are used. Moreover, cost functions were used for the formulation of conventional water and wastewater treatment plant by applying Clark's formula (Clark, 1982). Also, by applying dynamic programming algorithm, it is easy to design a conventional treatment system with minimal cost. The application of the model for a case reduced the annual cost. This reduction was approximately in the range of 4.5-9.5% considering variable limitations. Sensitivity analysis and prediction of system's feedbacks were performed for different alterations in proportion from parameters optimized amounts. The results indicated (1) that the objective function is more sensitive to design flow rate (Q), (2) the variations in the alum dosage (A), and (3) the sand filter head loss (H). Increasing the inflow by 20%, the total annual cost would increase to about 12.6%, while 20% reduction in inflow leads to 15.2% decrease in the total annual cost. Similarly, 20% increase in alum dosage causes 7.1% increase in the total annual cost, while 20% decrease results in 7.9% decrease in the total annual cost. Furthermore, the pressure decrease causes 2.95 and 3.39% increase and decrease in total annual cost of treatment plants.

  17. Dynamics of aluminum leaching from water purification sludge.

    PubMed

    Cheng, Wen-Po; Fu, Chi-Hua; Chen, Ping-Hung; Yu, Ruey-Fang

    2012-05-30

    In this investigation, the shrinking core model is used to study the rate of aluminum salt leaching from water purification sludge (WPS). This model, which describes the aluminum leaching rate, can be developed to maximize the Al(III) recovering efficiency. Laboratory results indicate that when the mixing speed exceeds 80rpm, the effect of film diffusion control on the leaching process is greatly reduced, such that any further increase in the mixing speed does not affect the Al(III) leaching rate. Additionally, increasing the temperature or acid concentration improves Al(III) leaching rate. The laboratory data were verified by using the shrinking core model to confirm that the leaching of Al(III) from WPS is consistent with the inert-layer diffusion control model. This finding reveals that large amounts of SiO(2), Al(2)O(3) and other inert constituents will form an inter diffusion layer in the WPS and thus become the major limiting factors that control the Al(III) leaching process. The dynamic equation can be expressed as 1-3(1-x)(2/3)+2(1-x)=(2707.3 exp(-3887.6/T))t, in which the apparent activation energy and pre-exponential factors are 32.32 kJ/mol and 2707.3 min(-1), respectively, as determined by solving the Arrhenius equation.

  18. Simulation of carbohydrates, from molecular docking to dynamics in water.

    PubMed

    Sapay, Nicolas; Nurisso, Alessandra; Imberty, Anne

    2013-01-01

    Modeling of carbohydrates is particularly challenging because of the variety of structures resulting for the high number of monosaccharides and possible linkages and also because of their intrinsic flexibility. The development of carbohydrate parameters for molecular modeling is still an active field. Nowadays, main carbohydrates force fields are GLYCAM06, CHARMM36, and GROMOS 45A4. GLYCAM06 includes the largest choice of compounds and is compatible with the AMBER force fields and associated. Furthermore, AMBER includes tools for the implementation of new parameters. When looking at protein-carbohydrate interaction, the choice of the starting structure is of importance. Such complex can be sometimes obtained from the Protein Data Bank-although the stereochemistry of sugars may require some corrections. When no experimental data is available, molecular docking simulation is generally used to the obtain protein-carbohydrate complex coordinates. As molecular docking parameters are not specifically dedicated to carbohydrates, inaccuracies should be expected, especially for the docking of polysaccharides. This issue can be addressed at least partially by combining molecular docking with molecular dynamics simulation in water.

  19. Unusual dynamic properties of water near the ice-binding plane of hyperactive antifreeze protein

    SciTech Connect

    Kuffel, Anna; Czapiewski, Dariusz; Zielkiewicz, Jan

    2015-10-07

    The dynamical properties of solvation water of hyperactive antifreeze protein from Choristoneura fumiferana (CfAFP) are analyzed and discussed in context of its antifreeze activity. The protein comprises of three well-defined planes and one of them binds to the surface of ice. The dynamical properties of solvation water around each of these planes were analyzed separately; the results are compared with the dynamical properties of solvation water of ice around its two crystallographic planes: basal and prism. Three main conclusions are inferred from our investigations. The first one is that the solvation shell of CfAFP does not seem to be particularly far-ranged, at least not beyond what is usually observed for proteins that do not interact with ice. Therefore, it does not appear to us that the antifreeze activity is enhanced by a long-ranged retardation of water mobility. Also the correlation between the collective mobility of water and the collective mobility of protein atoms highly resembles the one measured for the protein that does not interact with ice. Our second conclusion is that the dynamical properties of solvation water of CfAFP are non-uniform. The dynamics of solvation water of ice-binding plane is, in some respects, different from the dynamics of solvation water of the two remaining planes. The feature that distinguishes the dynamics of solvation water of the three planes is the activation energy of diffusion process. The third conclusion is that—from the three analyzed solvation shells of CfAFP—the dynamical properties of solvation water of the ice-binding plane resemble the most the properties of solvation water of ice; note, however, that these properties still clearly differ from the dynamic properties of solvation water of ice.

  20. Unusual dynamic properties of water near the ice-binding plane of hyperactive antifreeze protein

    NASA Astrophysics Data System (ADS)

    Kuffel, Anna; Czapiewski, Dariusz; Zielkiewicz, Jan

    2015-10-01

    The dynamical properties of solvation water of hyperactive antifreeze protein from Choristoneura fumiferana (CfAFP) are analyzed and discussed in context of its antifreeze activity. The protein comprises of three well-defined planes and one of them binds to the surface of ice. The dynamical properties of solvation water around each of these planes were analyzed separately; the results are compared with the dynamical properties of solvation water of ice around its two crystallographic planes: basal and prism. Three main conclusions are inferred from our investigations. The first one is that the solvation shell of CfAFP does not seem to be particularly far-ranged, at least not beyond what is usually observed for proteins that do not interact with ice. Therefore, it does not appear to us that the antifreeze activity is enhanced by a long-ranged retardation of water mobility. Also the correlation between the collective mobility of water and the collective mobility of protein atoms highly resembles the one measured for the protein that does not interact with ice. Our second conclusion is that the dynamical properties of solvation water of CfAFP are non-uniform. The dynamics of solvation water of ice-binding plane is, in some respects, different from the dynamics of solvation water of the two remaining planes. The feature that distinguishes the dynamics of solvation water of the three planes is the activation energy of diffusion process. The third conclusion is that—from the three analyzed solvation shells of CfAFP—the dynamical properties of solvation water of the ice-binding plane resemble the most the properties of solvation water of ice; note, however, that these properties still clearly differ from the dynamic properties of solvation water of ice.

  1. Coupling between inter-helical hydrogen bonding and water dynamics in a proton transporter.

    PubMed

    del Val, Coral; Bondar, Luiza; Bondar, Ana-Nicoleta

    2014-04-01

    Long-distance proton transfers by proton pumps occurs in discrete steps that may involve the direct participation of protein sidechains and water molecules, and coupling of protonation changes to structural rearrangements of the protein matrix. Here we explore the role of inter-helical hydrogen bonding in long-distance protein conformational coupling and dynamics of internal water molecules. From molecular dynamics simulations of wild type and nine different bacteriorhodopsin mutants we find that both intra- and inter-helical hydrogen bonds are important determinants of the local protein structure, dynamics, and water interactions. Based on molecular dynamics and bioinformatics analyses, we identify an aspartate/threonine inter-helical hydrogen-bonding motif involved in controlling the local conformational dynamics. Perturbation of inter-helical hydrogen bonds can couple to rapid changes in water dynamics.

  2. A decision support tool for sustainable planning of urban water systems: presenting the Dynamic Urban Water Simulation Model.

    PubMed

    Willuweit, Lars; O'Sullivan, John J

    2013-12-15

    Population growth, urbanisation and climate change represent significant pressures on urban water resources, requiring water managers to consider a wider array of management options that account for economic, social and environmental factors. The Dynamic Urban Water Simulation Model (DUWSiM) developed in this study links urban water balance concepts with the land use dynamics model MOLAND and the climate model LARS-WG, providing a platform for long term planning of urban water supply and water demand by analysing the effects of urbanisation scenarios and climatic changes on the urban water cycle. Based on potential urbanisation scenarios and their effects on a city's water cycle, DUWSiM provides the functionality for assessing the feasibility of centralised and decentralised water supply and water demand management options based on forecasted water demand, stormwater and wastewater generation, whole life cost and energy and potential for water recycling. DUWSiM has been tested using data from Dublin, the capital of Ireland, and it has been shown that the model is able to satisfactorily predict water demand and stormwater runoff.

  3. Coupling of the hydration water dynamics and the internal dynamics of actin detected by quasielastic neutron scattering

    SciTech Connect

    Fujiwara, Satoru; Plazanet, Marie; Oda, Toshiro

    2013-02-15

    Highlights: ► Quasielastic neutron scattering spectra of F-actin and G-actin were measured. ► Analysis of the samples in D{sub 2}O and H{sub 2}O provided the spectra of hydration water. ► The first layer hydration water around F-actin is less mobile than around G-actin. ► This difference in hydration water is in concert with the internal dynamics of actin. ► Water outside the first layer behaves bulk-like but influenced by the first layer. -- Abstract: In order to characterize dynamics of water molecules around F-actin and G-actin, quasielastic neutron scattering experiments were performed on powder samples of F-actin and G-actin, hydrated either with D{sub 2}O or H{sub 2}O, at hydration ratios of 0.4 and 1.0. By combined analysis of the quasielastic neutron scattering spectra, the parameter values characterizing the dynamics of the water molecules in the first hydration layer and those of the water molecules outside of the first layer were obtained. The translational diffusion coefficients (D{sub T}) of the hydration water in the first layer were found to be 1.2 × 10{sup −5} cm{sup 2}/s and 1.7 × 10{sup −5} cm{sup 2}/s for F-actin and G-actin, respectively, while that for bulk water was 2.8 × 10{sup −5} cm{sup 2}/s. The residence times were 6.6 ps and 5.0 ps for F-actin and G-actin, respectively, while that for bulk water was 0.62 ps. These differences between F-actin and G-actin, indicating that the hydration water around G-actin is more mobile than that around F-actin, are in concert with the results of the internal dynamics of F-actin and G-actin, showing that G-actin fluctuates more rapidly than F-actin. This implies that the dynamics of the hydration water is coupled to the internal dynamics of the actin molecules. The D{sub T} values of the water molecules outside of the first hydration layer were found to be similar to that of bulk water though the residence times are strongly affected by the first hydration layer. This supports the

  4. Water Table Dynamics and Biogeochemical Cycling in a Shallow, Variably-Saturated Floodplain.

    PubMed

    Yabusaki, Steven B; Wilkins, Michael J; Fang, Yilin; Williams, Kenneth H; Arora, Bhavna; Bargar, John; Beller, Harry R; Bouskill, Nicholas J; Brodie, Eoin L; Christensen, John N; Conrad, Mark E; Danczak, Robert E; King, Eric; Soltanian, Mohamad R; Spycher, Nicolas F; Steefel, Carl I; Tokunaga, Tetsu K; Versteeg, Roelof; Waichler, Scott R; Wainwright, Haruko M

    2017-03-07

    Three-dimensional variably saturated flow and multicomponent biogeochemical reactive transport modeling, based on published and newly generated data, is used to better understand the interplay of hydrology, geochemistry, and biology controlling the cycling of carbon, nitrogen, oxygen, iron, sulfur, and uranium in a shallow floodplain. In this system, aerobic respiration generally maintains anoxic groundwater below an oxic vadose zone until seasonal snowmelt-driven water table peaking transports dissolved oxygen (DO) and nitrate from the vadose zone into the alluvial aquifer. The response to this perturbation is localized due to distinct physico-biogeochemical environments and relatively long time scales for transport through the floodplain aquifer and vadose zone. Naturally reduced zones (NRZs) containing sediments higher in organic matter, iron sulfides, and non-crystalline U(IV) rapidly consume DO and nitrate to maintain anoxic conditions, yielding Fe(II) from FeS oxidative dissolution, nitrite from denitrification, and U(VI) from nitrite-promoted U(IV) oxidation. Redox cycling is a key factor for sustaining the observed aquifer behaviors despite continuous oxygen influx and the annual hydrologically induced oxidation event. Depth-dependent activity of fermenters, aerobes, nitrate reducers, sulfate reducers, and chemolithoautotrophs (e.g., oxidizing Fe(II), S compounds, and ammonium) is linked to the presence of DO, which has higher concentrations near the water table.

  5. Atomistic details of protein dynamics and the role of hydration water

    SciTech Connect

    Khodadadi, Sheila; Sokolov, Alexei P.

    2016-05-04

    The importance of protein dynamics for their biological activity is nowwell recognized. Different experimental and computational techniques have been employed to study protein dynamics, hierarchy of different processes and the coupling between protein and hydration water dynamics. But, understanding the atomistic details of protein dynamics and the role of hydration water remains rather limited. Based on overview of neutron scattering, molecular dynamic simulations, NMR and dielectric spectroscopy results we present a general picture of protein dynamics covering time scales from faster than ps to microseconds and the influence of hydration water on different relaxation processes. Internal protein dynamics spread over a wide time range fromfaster than picosecond to longer than microseconds. We suggest that the structural relaxation in hydrated proteins appears on the microsecond time scale, while faster processes present mostly motion of side groups and some domains. Hydration water plays a crucial role in protein dynamics on all time scales. It controls the coupled protein-hydration water relaxation on 10 100 ps time scale. Our process defines the friction for slower protein dynamics. Analysis suggests that changes in amount of hydration water affect not only general friction, but also influence significantly the protein's energy landscape.

  6. Atomistic details of protein dynamics and the role of hydration water

    DOE PAGES

    Khodadadi, Sheila; Sokolov, Alexei P.

    2016-05-04

    The importance of protein dynamics for their biological activity is nowwell recognized. Different experimental and computational techniques have been employed to study protein dynamics, hierarchy of different processes and the coupling between protein and hydration water dynamics. But, understanding the atomistic details of protein dynamics and the role of hydration water remains rather limited. Based on overview of neutron scattering, molecular dynamic simulations, NMR and dielectric spectroscopy results we present a general picture of protein dynamics covering time scales from faster than ps to microseconds and the influence of hydration water on different relaxation processes. Internal protein dynamics spread overmore » a wide time range fromfaster than picosecond to longer than microseconds. We suggest that the structural relaxation in hydrated proteins appears on the microsecond time scale, while faster processes present mostly motion of side groups and some domains. Hydration water plays a crucial role in protein dynamics on all time scales. It controls the coupled protein-hydration water relaxation on 10 100 ps time scale. Our process defines the friction for slower protein dynamics. Analysis suggests that changes in amount of hydration water affect not only general friction, but also influence significantly the protein's energy landscape.« less

  7. Microscopic origin of temporal heterogeneities in translational dynamics of liquid water

    NASA Astrophysics Data System (ADS)

    Mukherjee, Biswaroop

    2015-08-01

    Liquid water is known to reorient via a combination of large angular jumps (due to exchange of hydrogen bonding (H-bond) partners) and diffusive orientations. Translation of the molecule undergoing the orientational jump and its initial and final H-bond acceptors plays a key role in the microscopic reorientation process. Here, we partition the translational dynamics into those occurring during intervals when rotating water molecules (and their initial and final H-bonding partners) undergo orientational jump and those arising when molecules wait between consecutive orientational jumps. These intervals are chosen in such a way that none of the four possible H-bonds involving the chosen water molecule undergo an exchange process within its duration. Translational dynamics is analysed in terms of the distribution of particle displacements, van Hove functions, and its moments. We observe that the translational dynamics, calculated from molecular dynamics simulations of liquid water, is fastest during the orientational jumps and slowest during periods of waiting. The translational dynamics during all temporal intervals shows an intermediate behaviour. This is the microscopic origin of temporal dynamic heterogeneity in liquid water, which is mild at 300 K and systematically increases with supercooling. Study of such partitioned dynamics in supercooled water shows increased disparity in dynamics occurring in the two different types of intervals. Nature of the distribution of particle displacements in supercooled water is investigated and it reveals signatures non-Gaussian behaviour.

  8. Pacific ferromanganese crust geology and geochemistry

    SciTech Connect

    Andreev, S.I.; Vanstein, B.G.; Anikeeva, L.I. )

    1990-06-01

    Cobaltiferous ferromanganese crusts form part of a large series of oceanic ferromanganese oxide deposits. The crusts show high cobalt (commonly over 0.4%), low nickel and copper sum (0.4-0.8%), considerably high manganese (18-20%), and iron (14-18%). Less abundant elements in crusts are represented by molybdenum and vanadium; the rare-earth elements cerium, lanthenum, and yttrium; and the noble metals platinum and rhodium. Co-rich crusts form at water depths of 600 to 2,500 m. Crust thicknesses range from millimeters to 15-17 cm, averaging 2-6 cm. The most favorable conditions for 4-10 cm thick crusts to occur is at water depths of 1,200-2,200 m. The crusts formed on basaltic, calcareous, siliceous, and breccia bedrock surfaces provided there were conditions preventing bottom sedimentation at them. If the sedimentation takes place, it may be accompanied by nodules similar in composition to the crusts. The most favorable topography for extensive crust formation is considered to be subdued (up to 20{degree}) slopes and summit platforms of conical seamounts, frequently near faults and their intersection zones. Subhorizontal guyot summits do not usually favor crust growth. Crust geochemistry is primarily defined by mineralogy and manganese hydroxides (vernadite)/iron ratio. The first associated group of compounds includes cobalt, nickel, molybdenum, vanadium, cerium, and titanium; the other is strontium, yttrium, cerium, and cadmium. The aluminosilicate phase is associated with titanium, iron, chromium, and vanadium; phosphate biogenic phase includes copper, nickel, zinc, lead, and barium. The crucial point in cobaltiferous crust formation is their growth rate on which is dependent the degree of ferromanganese matrix sorption saturation with cobalt. The optimum for cobalt-rich ferromanganese ores is the conditions facilitating long-term and continuous hydrogenic processes.

  9. Molecular dynamics simulation of the behaviour of water in nano-confined ionic liquid-water mixtures

    NASA Astrophysics Data System (ADS)

    Docampo-Álvarez, B.; Gómez-González, V.; Montes-Campos, H.; Otero-Mato, J. M.; Méndez-Morales, T.; Cabeza, O.; Gallego, L. J.; Lynden-Bell, R. M.; Ivaništšev, V. B.; Fedorov, M. V.; Varela, L. M.

    2016-11-01

    This work describes the behaviour of water molecules in 1-butyl-3-methylimidazolium tetrafluoroborate ionic liquid under nanoconfinement, between graphene sheets. By means of molecular dynamics simulations, the adsorption of water molecules at the graphene surface is studied. A depletion of water molecules in the vicinity of the neutral and negatively charged graphene surfaces, and their adsorption at the positively charged surface are observed in line with the preferential hydration of the ionic liquid anions. The findings are appropriately described using a two-level statistical model. The confinement effect on the structure and dynamics of the mixtures is thoroughly analyzed using the density and the potential of mean force profiles, as well as by the vibrational densities of the states of water molecules near the graphene surface. The orientation of water molecules and the water-induced structural transitions in the layer closest to the graphene surface are also discussed.

  10. Effects of Water-Availability on Carbon and Water Dynamics in a Semi-Arid Pine Forest

    NASA Astrophysics Data System (ADS)

    Ruehr, N. K.; Martin, J. G.; Law, B. E.

    2011-12-01

    Changes in the hydrological cycle, as predicted and currently observed, will significantly impact the water and carbon balance of water-limited forest ecosystems. However, differences in the water-sensitivity of component processes make carbon balance predictions challenging. To examine responses of ecosystem components to water limitations, we conducted a study of tree, soil and ecosystem processes in a young ponderosa pine stand under natural summer drought (control) and increased soil water conditions (watered). Weekly-averaged tree transpiration (T), net ecosystem photosynthesis (Pneco) and soil CO2 efflux (Rs) were related with soil water content (SWC) and declined rapidly when relative extractable soil water (REW) was below 50%. The control of vapor pressure deficit over daily variations in canopy conductance (Gs) was subordinated to SWC (R2=0.97; logarithmic function), decreasing at REW below 50%. Watering maintained REW at about 70% in July and August but positively affected tree carbon and water dynamics only at the end of summer when fluxes in the control treatment were strongly water-limited. A tight coupling of above- and belowground fluxes became apparent; while root-rhizosphere respiration (Rr) in the control treatment decreased along with Pneco and T (R2=0.58) as drought progressed, watering maintained Rr, T and Gs, which were significantly higher than those of the control trees in late summer. In contrast, microbial respiration (Rm) responded instantaneously and strongly to the watering compared to the control treatment. The net effect was increased soil water availability negatively affected the short-term ecosystem C balance due to a larger increase in decomposition than photosynthesis. This clearly highlights that understanding the dissimilar response of tree dynamics and soil decomposition to water availability to be a key component in predicting future C sequestration in water-limited forest ecosystems. Continued watering over multiple years

  11. DYNAMICS OF WATER TRANSPORT AND STORAGE IN CONIFERS STUDIED WITH DEUTERIUM AND HEAT TRACING TECHNIQUES

    EPA Science Inventory

    The volume and complexity of their vascular systems make the dynamics of long-distance water transport difficult to study. We used heat and deuterated water (D2O) as tracers to characterize whole-tree water transport and storage properties in individual trees belonging to the co...

  12. High protein flexibility and reduced hydration water dynamics are key pressure adaptive strategies in prokaryotes