Search USGS⌕ Search

SEARCH · Search USGS

Results for “Chemical Physics”

Search indexed USGS publications on groundwater, aquifers, geologic maps, mineral resources and earthquakes. Explore source records by subject and place.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 811 records · Page 45Linked to original sources
USGS2010

Modeling the effects of variable groundwater chemistry on adsorption of molybdate

Laboratory experiments were used to identify and quantify processes having a significant effect on molybdate (MoO 4 2− ) adsorption in a shallow alluvial aquifer on Cape Cod, assachusetts. Aqueous chemistry in the aquifer changes as a result of treated sewage effluent mixing with groundwater. Molybdate adsorption decreased as p H, ionic strength, and the concentration of competing anions increased. A diffuse-layer surface complexation model was used to simulate adsorption of MoO 4 2− , phosphate (PO 4 3− ), and sulfate (SO 4 2− ) on aquifer sediment. Equilibrium constants for the model were calculated by calibration to data from batch experiments. The model was then used in a one-dimensional solute transport program to successfully simulate initial breakthrough of MoO 4 2− from column experiments. A shortcoming of the solute transport program was the inability to account for kinetics of physical and chemical processes. This resulted in a failure of the model to predict the slow rate of desorption of MoO 4 2− from the columns. The mobility of MoO 4 2− ncreased with ionic strength and with the formation of aqueous complexes with calcium, magnesium, and sodium. Failure to account for MoO 4 2− speciation and ionic strength in the model resulted in overpredicting MoO 4 2− adsorption. Qualitatively, the laboratory data predicted the observed behavior of MoO 4 2− in the aquifer, where retardation of MoO 4 2− was greatest in uncontaminated roundwater having low p H, low ionic strength, and low concentrations of PO 4 3− and SO 4 2− .

Water Resources Research↗
USGS2013

The global occurrence of natural gas hydrate

Natural gas hydrate occurs worldwide in oceanic sediment of continental and insular slopes and rises of active and passive margins, in deep-water sediment of inland lakes and seas, and in polar sediment on both continents and continental shelves. In aquatic sediment, where water depths exceed about 300 m and bottom water temperatures approach 0° C, gas hydrate is found at the seafloor to sediment depths of about 1,100 m. In polar continental regions, gas hydrate can be present in sediment at depths between about 150 and 2000 m. Thus, natural gas hydrate is restricted to the shallow geosphere where its presence affects the physical and chemical properties of near-surface sediment. An updated global inventory reports on natural gas hydrate recovered from 19 places worldwide and includes 77 places where the presence of gas hydrate has been inferred from geophysical, geochemical, and geological evidence. The potential amount of methane in natural gas hydrate is enormous, with current estimates converging around about 10 teratonnes (10 19 g) of methane carbon.

Book chapter↗
USGS2010

Interactions of solutes and streambed sediment: 1. An experimental analysis of cation and anion transport in a mountain stream

An experimental injection was performed to study the transport of stream water solutes under conditions of significant interaction with streambed sediments in a mountain pool-and-riffle stream. Experiments were conducted in Little Lost Man Creek, Humboldt County, California, in a period of low flow duringwhich only a part of the bank-full channel held active surface flow. The injection of chloride and several trace cations lasted 20 days. In this report we discuss the results of the first 24 hours of the injection and survey the results of the first 10 days. Solute-streambed interactions of two types were observed. First, the physical transport of the conservative tracer, chloride, was affected by intergravel flow and stagnant watt, zones created by the bed relief. Second, the transport of the cations (strontium, potassium, and lithium) was appreciably modified by sorption onto streambed sediment. In the stream the readily observable consequence of the solute-streambed interactions was an attenuation of the dissolved concentration of each of the tracers. The attenuation in the stream channel occurred concurrently with the storage of tracers in the streambed via both physical and chemical processes. All tracers were subsequently present in shallow wells dug several meters from the wetted part of the channel. Sediment samples collected approximately 3 weeks after the start of the injection contained increased concentrations of the injected cations.

California↗
USGS2010

Transport of reacting solutes subject to a moving dissolution boundary: Numerical methods and solutions

A moving boundary problem which arises during transport with precipitation-dissolution reactions is solved by three different numerical methods. Two of these methods (one explicit and one implicit) are based on an integral formulation of mass balance and lead to an approximation of a weak solution. These methods are compared to a front-tracking scheme. Although the two approaches are conceptually different, the numerical solutions showed good agreement. As the ratio of dispersion to convection decreases, the methods based on the integral formulation become computationally more efficient. Specific reactions were modeled to examine the dependence of the system on the physical and chemical parameters. Although the water flow rate does not explicitly appear in the equation for the velocity of the moving boundary, the speed of the boundary depends more on the flux rate than on the dispersion coefficient. The discontinuity in the gradient of the solute concentration profile at the boundary increases with convection and with the initial concentration of the mineral. Our implicit method is extended to allow participation of the solutes in complexation reactions as well as the precipitation-dissolution reaction. This extension is easily made and does not change the basic method.

Water Resources Research↗
USGS2003

Interaction of sea water and lava during submarine eruptions at mid-ocean ridges

Lava erupts into cold sea water on the ocean floor at mid-ocean ridges (at depths of 2,500 m and greater), and the resulting flows make up the upper part of the global oceanic crust. Interactions between heated sea water and molten basaltic lava could exert significant control on the dynamics of lava flows and on their chemistry. But it has been thought that heating sea water at pressures of several hundred bars cannot produce significant amounts of vapour and that a thick crust of chilled glass on the exterior of lava flows minimizes the interaction of lava with sea water. Here we present evidence to the contrary, and show that bubbles of vaporized sea water often rise through the base of lava flows and collect beneath the chilled upper crust. These bubbles of steam at magmatic temperatures may interact both chemically and physically with flowing lava, which could influence our understanding of deep-sea volcanic processes and oceanic crustal construction more generally. We infer that vapour formation plays an important role in creating the collapse features that characterize much of the upper oceanic crust and may accordingly contribute to the measured low seismic velocities in this layer.

Nature↗
USGS2005

An integrated view of the chemistry and mineralogy of martian soils

The mineralogical and elemental compositions of the martian soil are indicators of chemical and physical weathering processes. Using data from the Mars Exploration Rovers, we show that bright dust deposits on opposite sides of the planet are part of a global unit and not dominated by the composition of local rocks. Dark soil deposits at both sites have similar basaltic mineralogies, and could reflect either a global component or the general similarity in the compositions of the rocks from which they were derived. Increased levels of bromine are consistent with mobilization of soluble salts by thin films of liquid water, but the presence of olivine in analysed soil samples indicates that the extent of aqueous alteration of soils has been limited. Nickel abundances are enhanced at the immediate surface and indicate that the upper few millimetres of soil could contain up to one per cent meteoritic material.

Nature↗
USGS2024

Hotspots of biogeochemical activity linked to aridity and plant traits across global drylands

Perennial plants create productive and biodiverse hotspots, known as fertile islands, beneath their canopies. These hotspots largely determine the structure and functioning of drylands worldwide. Despite their ubiquity, the factors controlling fertile islands under conditions of contrasting grazing by livestock, the most prevalent land use in drylands, remain virtually unknown. Here we evaluated the relative importance of grazing pressure and herbivore type, climate and plant functional traits on 24 soil physical and chemical attributes that represent proxies of key ecosystem services related to decomposition, soil fertility, and soil and water conservation. To do this, we conducted a standardized global survey of 288 plots at 88 sites in 25 countries worldwide. We show that aridity and plant traits are the major factors associated with the magnitude of plant effects on fertile islands in grazed drylands worldwide. Grazing pressure had little influence on the capacity of plants to support fertile islands. Taller and wider shrubs and grasses supported stronger island effects. Stable and functional soils tended to be linked to species-rich sites with taller plants. Together, our findings dispel the notion that grazing pressure or herbivore type are linked to the formation or intensification of fertile islands in drylands. Rather, our study suggests that changes in aridity, and processes that alter island identity and therefore plant traits, will have marked effects on how perennial plants support and maintain the functioning of drylands in a more arid and grazed world.

Nature Plants↗
USGS2001

Temporal coherence of two alpine lake basins of the Colorado Front Range, USA

1. Knowledge of synchrony in trends is important to determining regional responses of lakes to disturbances such as atmospheric deposition and climate change. We explored the temporal coherence of physical and chemical characteristics of two series of mostly alpine lakes in nearby basins of the Colorado Rocky Mountains. Using year-to-year variation over a 10-year period, we asked whether lakes more similar in exposure to the atmosphere be-haved more similarly than those with greater influence of catchment or in-lake processes. 2. The Green Lakes Valley and Loch Vale Watershed are steeply incised basins with strong altitudinal gradients. There are glaciers at the heads of each catchment. The eight lakes studied are small, shallow and typically ice-covered for more than half the year. Snowmelt is the dominant hydrological event each year, flushing about 70% of the annual discharge from each lake between April and mid-July. The lakes do not thermally stratify during the period of open water. Data from these lakes included surface water temper-ature, sulphate, nitrate, calcium, silica, bicarbonate alkalinity and conductivity. 3. Coherence was estimated by Pearson's correlation coefficient between lake pairs for each of the different variables. Despite close geographical proximity, there was not a strong direct signal from climatic or atmospheric conditions across all lakes in the study. Individual lake characteristics overwhelmed regional responses. Temporal coherence was higher for lakes within each basin than between basins and was highest for nearest neighbours. 4. Among the Green Lakes, conductivity, alkalinity and temperature were temporally coherent, suggesting that these lakes were sensitive to climate fluctuations. Water tem-perature is indicative of air temperature, and conductivity and alkalinity concentrations are indicative of dilution from the amount of precipitation flushed through by snowmelt. 5. In Loch Vale, calcium, conductivity, nitrate, sulphate and alkalinity were temporally coherent, while silica and temperature were not. This suggests that external influences are attenuated by internal catchment and lake processes in Loch Vale lakes. Calcium and sulphate are primarily weathering products, but sulphate derives both from deposition and from mineral weathering. Different proportions of snowmelt versus groundwater in different years could influence summer lake concentrations. Nitrate is elevated in lake waters from atmospheric deposition, but the internal dynamics of nitrate and silica may be controlled by lake food webs. Temperature is attenuated by inconsistently different climates across altitude and glacial meltwaters. 6. It appears that, while the lakes in the two basins are topographically close, geologically and morphologically similar, and often connected by streams, only some attributes are temporally coherent. Catchment and in-lake processes influenced temporal patterns, especially for temperature, alkalinity and silica. Montane lakes with high altitudinal gradients may be particularly prone to local controls compared to systems where coherence is more obvious.

Colorado↗
USGS1990

Climatic change and permafrost. Record from surficial deposits

The physical and chemical characteristics of surficial deposits and the floral and faunal remains they contain provide information that is useful for interpreting both paleoclimate and past permafrost conditions. Surficial deposits thus provide a record of climatic change and permafrost history. This record suggests that initiation of permafrost in lowland areas of the Southern Arctic Archipelago and continents of the northern hemisphere may have occurred about 2,400,000 years ago during the pronounced cooling that led to the first major glaciation of late Cenozoic time. Since then, climate has been relatively cold but cyclically variable, characterized by the growth and shrinkage of large, continental ice sheets. Permafrost has expanded and contracted in response to these climatic changes, and we can expect the present permafrost conditions to change in response to future climatic changes. To predict the response of permafrost and the landscape to future climatic change we should: (1) Define relations between climate and the modern landscape; (2) establish long‐term records of past climatic change and landscape response; and (3) determine the paleoenvironments of past warm periods as possible analogs for future global warming.

Journal of Cold Regions Engineering↗
USGS2001

Analysis of radiation-induced small Cu particle cluster formation in aqueous CuCl2

Radition-induced small Cu particle cluster formation in aqueous CuCl2 was analyzed. It was noticed that nearest neighbor distance increased with the increase in the time of irradiation. This showed that the clusters approached the lattice dimension of bulk copper. As the average cluster size approached its bulk dimensions, an increase in the nearest neighbor coordination number was found with the decrease in the surface to volume ratio. Radiolysis of water by incident x-ray beam led to the reduction of copper ions in the solution to themetallic state.

Journal of Chemical Physics↗
USGS2003

Relaxation of the structure of simple metal ion complexes in aqueous solutions at up to supercritical conditions

Recently x-ray absorption fine structure (XAFS) studies of various ions in aqueous solutions showed a variation of cation-ligand bond lengths, often coupled with other structure changes, with increasing temperatures. Thus, the variations of the structure of several metal ion complexes with temperature based on observations from the X-ray absorption fine structure (XAFS) studies in the hope that it will stimulate the development of either first- principles theory or molecular dynamics simulations that might adequately describes these results are discussed.

Journal of Chemical Physics↗
USGS1969

Oxygen isotope fractionation in divalent metal carbonates

Equilibrium fractionation factors for the distribution of 18 O between alkaline‐earth carbonates and water have been measured over the temperature range 0–500°C. The fractionation factors α"> α α can be represented by the equations CaCO3–H2O, 1000lnα = 2.78(106T−2)− 3.39,"> CaCO 3 – H 2 O , 1000 ln α = 2.78(10 6 T −2 )− 3.39, CaCO3–H2O, 1000lnα = 2.78(106T−2)− 3.39, SrCO3–H2O, 1000lnα = 2.69(106T−2)− 3.74,"> SrCO 3 – H 2 O , 1000 ln α = 2.69(10 6 T −2 )− 3.74, SrCO3–H2O, 1000lnα = 2.69(106T−2)− 3.74, BaCO3–H2O, 1000lnα = 2.57(106T−2)− 4.73."> BaCO 3 – H 2 O , 1000 ln α = 2.57(10 6 T −2 )− 4.73. BaCO3–H2O, 1000lnα = 2.57(106T−2)− 4.73. Measurements on MnCO 3 , CdCO 3 , and PbCO 3 were made at isolated temperatures. A statistical‐mechanical calculation of the isotopic partition function ratios gives reasonably good agreement with experiment. Both cationic size and mass are important in isotopic fractionation, the former predominantly in its effect on the internal vibrations of the anion, the latter in its effect on the lattice vibrations.

Journal of Chemical Physics↗
USGS1963

Antiferromagnetism of UO2⋅2H2O

Magnetic susceptibility measurements have been made on UO 2 · x H 2 O for x =1.78 to x =2.13, and from 77° to 375°K. As the value of x decreased the susceptibility increased. Both these data and structural arguments imply that the formula of this compound is U(OH) 4 rather than the dihydrate form. Based on this concept the data have been corrected for diamagnetism and also small amounts of UO 2 and H 2 O which were present. The molar susceptibility of U 4+ in U(OH) 4 is nearly an order of magnitude less than in other uranium compounds, and it is suggested that this is probably due to superexchange between adjacent uranium atoms through intervening oxygen atoms.

Journal of Chemical Physics↗
USGS2004

Lattice-Boltzmann simulation of coalescence-driven island coarsening

The first-order phase separation in a thin fluid film was simulated using a two-dimensional lattice-Boltzman model (LBM) with fluid-fluid interactions. The effects of the domain size on the intermediate asymptotic island size distribution were also discussed. It was observed that the overall process is dominated by coalescence which is independent of island mass. The results show that the combined effects of growth, coalescence, and Ostwald ripening control the phase transition process in the LBM simulations.

Journal of Chemical Physics↗
USGS1982

Pyridine radical cation and its fluorine substituted derivatives

The spectra and relaxation of the pyridine cation and of several of its fluorinated derivatives are studied in low temperature Ne matrices. The ions are generated by direct photoionization of the parent compounds. Of the compounds studied, laser induced → and → fluorescence is observed only for the 2, 6‐difluoropyridine cation. The analysis of the spectrum indicates that the ion is planar both in the and states. The large variety in the spectroscopic and relaxation behavior of fluoropyridine radical cations is explained in terms of their electronic structure and of the differential shifts of the individual electronic states caused by the fluorine substitution.

Journal of Chemical Physics↗
USGS2013

2D IR spectra of cyanide in water investigated by molecular dynamics simulations

Using classical molecular dynamics simulations, the 2D infrared (IR) spectroscopy of CN − solvated in D 2 O is investigated. Depending on the force field parametrizations, most of which are based on multipolar interactions for the CN − molecule, the frequency-frequency correlation function and observables computed from it differ. Most notably, models based on multipoles for CN − and TIP3P for water yield quantitatively correct results when compared with experiments. Furthermore, the recent finding that T 1 times are sensitive to the van der Waals ranges on the CN − is confirmed in the present study. For the linear IR spectrum, the best model reproduces the full widths at half maximum almost quantitatively (13.0 cm −1 vs. 14.9 cm −1 ) if the rotational contribution to the linewidth is included. Without the rotational contribution, the lines are too narrow by about a factor of two, which agrees with Raman and IR experiments. The computed and experimental tilt angles (or nodal slopes) α as a function of the 2D IR waiting time compare favorably with the measured ones and the frequency fluctuation correlation function is invariably found to contain three time scales: a sub-ps, 1 ps, and one on the 10-ps time scale. These time scales are discussed in terms of the structural dynamics of the surrounding solvent and it is found that the longest time scale (≈10 ps) most likely corresponds to solvent exchange between the first and second solvation shell, in agreement with interpretations from nuclear magnetic resonance measurements.

Journal of Chemical Physics↗