Implementation of Solute Transport in the Vadose Zone into the “HYDRUS Package for MODFLOW”

The “HYDRUS package for MODFLOW” is an existing MODFLOW package that allows MODFLOW to simultaneously evaluate transient water flow in both unsaturated and saturated zones. The package is based on incorporating parts of the HYDRUS-1D model (to simulate unsaturated water flow in the vadose zone) into MODFLOW (to simulate saturated groundwater flow). The coupled model is effective in addressing spatially variable saturated-unsaturated hydrological processes at the regional scale. However, one of the major limitations of this coupled model is that it does not have the capability to simulate solute transport along with water flow and therefore, the model cannot be employed for evaluating groundwater contamination. In this work, a modified unsaturated flow and transport package (modified HYDRUS package for MODFLOW and MT3DMS) has been developed and linked to the three-dimensional (3D) groundwater flow model MODFLOW and the 3D groundwater solute transport model MT3DMS. The new package can simulate, in addition to water flow in the vadose zone, also solute transport involving many biogeochemical processes and reactions, including first-order degradation, volatilization, linear or nonlinear sorption, one-site kinetic sorption, two-site sorption, and two-kinetic sites sorption. Due to complex interactions at the groundwater table, certain modifications of the pressure head (compared to the original coupling) and solute concentration profiles were incorporated into the modified HYDRUS package. The performance of the newly developed model is evaluated using HYDRUS (2D/3D), and the results indicate that the new model is effective in simulating the movement of water and contaminants in the saturated-unsaturated flow domains.     

Spectroscopic Characterization of Organic Structures and Organic‐Inorganic Interactions in Paper Mill Sludge

The organic composition and organic‐inorganic interaction in paper mill sludge (PS) solvent extracts (hexane, ethyl acetate, acetone and ethanol) and humic fractions, humic acid (HA) and humin (HU) were studied by electron paramagnetic resonance spectroscopy (EPR), proton and carbon‐13 nuclear magnetic resonance spectroscopy (¹H NMR; ¹³C NMR), Fourier‐transformed infrared spectroscopy (FTIR), and ultraviolet‐visible spectroscopy (UV‐vis). The strategy of fractionating the PS, sequentially, with organic solvents of increasing polarity is a reliable analytical procedure for humic substance sample separation because it results in more purified fractions. FTIR, ¹H NMR and ¹³C NMR results showed that hexane extract consisted mainly of aliphatic hydrocarbon structures. Their contents in the extracts decreased as the polarity of the extracting solvent increased and the content of oxygen functional groups increased. Carboxylic and carboxylate functional groups were found in the acetone extract, and ester and ether functions were predominantly found in the ethanol extract. EPR spectra revealed some Fe³⁺ complexes with rhombic structure (g₁ = 4.3; g₂ = 9.0) in the humic fractions and in all solvent extracts, except hexane. Quasi‐octahedral Fe³⁺ complexes (g = 2.3; ΔH_pp ≤ 400 G) were found in the HU fraction and in the acetone extract. The organic free radical content in the HA fraction was higher than the non‐fractionated PS sample and HU fraction.     

Geochemistry of sedimentary rocks from Permian–Triassic boundary sections of Tethys Himalaya: implications for paleo-weathering,provenance, and tectonic setting

The geochemical characteristics of two sections—the Permian–Triassic boundary (PTB) Guryul Ravine section, Kashmir Valley, Jammu and Kashmir, India; and the Attargoo section, Spiti Valley, Himachal Pradesh, India—have been studied in the context of provenance, paleo-weathering, and plate tectonic setting. These sections represent the siliciclastic sedimentary sequence from the Tethys Himalaya. The PTB siliciclastic sedimentary sequence in these regions primarily consists of sandstones and shales with variable thickness. Present studied sandstones and shales of both sections had chemical index of alteration values between 65 and 74; such values reveal low-to-moderate degree of chemical weathering. The chemical index of weathering in studied samples ranged from 71 to 94, suggesting a minor K-metasomatism effect on these samples. Plagioclase index of alteration in studied sections ranged from 68 to 92, indicating a moderate degree of weathering of plagioclase feldspars. The provenance discriminant function diagram suggests that the detritus involved in the formation of present studied siliciclastic sedimentary rocks fall in quartzose sedimentary and felsic igneous provenances. These sediments were deposited in a passive continental margin plate tectonic setting according to their location on a Si₂O versus K₂O/Na₂O tectonic setting diagram.     

PCA and SVM as geo-computational methods for geological mapping in the southern of Tunisia,using ASTER remote sensing data set

The purpose of this study was to examine the efficiency of Advanced Space Borne Thermal Emission and Reflection Radiometer (ASTER) data in the discrimination of geological formations and the generation of geological map in the northern margin of the Tunisian desert. The nine ASTER bands covering the visible (VIS), near-infrared (NIR) and short-wave infrared (SWIR) spectral regions (wavelength range of 400–2500 nm) have been treated and analyzed. As a first step of data processing, crosstalk correction, resampling, orthorectification, atmospheric correction, and radiometric normalization have been applied to the ASTER radiance data. Then, to decrease the redundancy information in highly correlated bands, the principal component analysis (PCA) has been applied on the nine ASTER bands. The results of PCA allow the validation and the rectification of the lithological boundaries already published on the geologic map, and gives a new information for identifying new lithological units corresponding to superficial formations previously undiscovered. The application of a supervised classification on the principal components image using a support vector machine (SVM) algorithm shows good correlation with the reference geologic map. The overall classification accuracy is 73 % and the kappa coefficient equals to 0.71. The processing of ASTER remote sensing data set by PCA and SVM can be employed as an effective tool for geological mapping in arid regions.     

Late Cainozoic stratigraphy,palaeomagnetic chronology and vegetational history from Lake George,N.S.W.

The sedimentary record from Lake George provides the longest relatively continuous Quaternary continental sequence yet available from Australia, and may record one of the longest Upper Cainozoic lacustrine records in the world.

Palaeomagnetic analysis of a 36 m core from the lake floor identifies a sequence of deposition extending through the Brunhes and Matuyama, to the Gauss magnetic Chron. A longer core from the same site, but with incomplete recovery, extends to 72 m in lacustrine sediment; the age of the base of this core estimated by extrapolation is between 4.2 and 7 Ma. As there are still older and deeper sediments in the basin, extending to an estimated depth of 134 m, the age of the tectonic formation of the Lake George basin must be reckoned as Middle Miocene or older.

The pattern of facies organisation through time demonstrates a phase of deep water deposition extending from the base of the cored sequence (72 m) up to 51.5 m, at which time a major change took place. A disconformity developed at this level, associated with a period of deep weathering and a prolonged phase of slope mantle deposition (from 51.5 to 30.8 m). A gradual return to lacustrine environments, with diminishing proportion of slope wash detritus, resulted in increased rates of deposition coincident with the Jaramillo Subchron at 21.5 m. Thereafter, throughout the Brunhes magnetic Chron, lacustrine conditions dominated, varying from deep to lake dry conditions in a rhythmic fashion, and reflecting the major climatic oscillations of the past 700 000 years, becoming more regular in the past 400 000 years.

The pollen analytical record of the upper 8.6 m, covering the last 350 000 years, provides the main framework for the reconstruction of climatic history. The pollen and algal records indicate a sequence of vegetation and lake level changes, in which four major glacial/interglacial cycles are correlated with stages 1 to 10 of the ¹⁸0 marine record. This provides by far the longest continuous biostratigraphic framework for the Quaternary period in Australia.

Comparison between the palaeoclimatic record and the lake level evidence shows that there is no simple correlation between the lake level fluctuations and the glacial/ interglacial oscillations. In fact, major falls in the lake level occured both at the peak of cold glacials and during the warm interglacials. Though the falls in the lake levels during a warm period (interglacial) can be explained by high rates of evaporation, drying during maximum cold can be explained best in terms of a fall in precipitation. Permanent to deep‐lake conditions generally occurred during intermediate cool periods following warm intervals, when perhaps the seas were still warm and low rates of evaporation on land prevailed. On the other hand, short periods of shallow to deep lake levels also occurred during warm (interglacial) periods, showing that these were associated with reasonably high rates of precipitation.     

Centennial to millennial geomagnetic secular variation

A time-varying spherical harmonic model of the palaeomagnetic field for 0–7 ka is used to investigate large-scale global geomagnetic secular variation on centennial to millennial scales. We study dipole moment evolution over the past 7 kyr, and estimate its rate of change using the Gauss coefficients of degree 1 (dipole coefficients) from the CALS7K.2 field model and by two alternative methods that confirm the robustness of the predicted variations. All methods show substantial dipole moment variation on timescales ranging from centennial to millennial. The dipole moment from CALS7K.2 has the best resolution and is able to resolve the general decrease in dipole moment seen in historical observations since about 1830. The currently observed rate of dipole decay is underestimated by CALS7K.2, but is still not extraordinarily strong in comparison to the rates of change shown by the model over the whole 7 kyr interval. Truly continuous phases of dipole decrease or increase are decadal to centennial in length rather than longer-term features. The general large-scale secular variation shows substantial changes in power in higher spherical harmonic degrees on similar timescales to the dipole. Comparisons are made between statistical variations calculated directly from CALS7K.2 and longer-term palaeosecular variation models: CALS7K.2 has lower overall variance in the dipole and quadrupole terms, but exhibits an imbalance between dispersion in   g ¹₂  and   h ¹₂  , suggestive of long-term non-zonal structure in the secular variations.     

New data on the present-day active fluid regime of fractured zones of crystalline basement and sedimentary cover in the eastern part of Volga-Ural region

The study area is the South Tatarstan Arch located in the Volgo-Ural Region, which is an enigmatic crustal segment occupying one third of the East European Platform. Monitoring studies have shown that fluid discharge processes are still active and time-dependent. This paper presents an integrated review of the geological, geophysical, hydrochemical and geochemical studies of the crystalline basement of Tatarstan. These studies are based on the stratigraphic and compositional schemes within the crystalline basement, the drilling of deep wells, the geodynamic activity of the fractured zones of the crystalline basement and the presence of fluids therein. Furthermore, the changes in the chemical composition of the basement waters are taken into account.     

Heterogenity of planetesimal collisional plume probed by glass inclusions in metal globules of Sierra Gorda 013, an unusual CBa-like chondrite

Metal-rich carbonaceous CB chondrites are generally assumed to be materials accreted from the gas–dust plume formed in catastrophic collisions of planetesimals, at least one of which was differentiated into a metal core and silicate shell. Micron-sized inclusions of siliceous alkali-rich glasses associated with sulfides were found in the metal globules of the Sierra Gorda 013 (SG 013), a CBa-like chondrite. These inclusions are unusual carriers of volatile alkalis which are commonly depleted in CB chondrites. The inclusions are presented by two types: (1) Al-bearing Nb-poor glass associated with daubréelite and (2) Nb-bearing Ca,Al,Mg-poor glass associated with an unknown Na-bearing Cr-sulfide. The glass compositions do not correspond to equilibrium condensation, evaporation, or melting. The Nb-bearing glass has a superchondritic Nb/Ta ratio (31) most likely indicating the fractionation of Nb and Ta in the high-temperature gas–dust impact plume due to condensation from vapor or evaporation of precursor Nb-rich particles. The glasses are interpreted as reaction products between refractory plume condensate particles (or possibly planetary or chondritic solids) with relatively low-temperature K-Na-Si-rich gas in oxidized conditions, possibly in a common plume vapor reservoir. Compositional differences indicate that the glasses and sulfides originated from several different sources under different fO₂, fS₂, and T conditions and were likely combined together and transported to the metal globule formation region by material flows in the heterogeneous impact plume. The glass–sulfide particles were enclosed in the globules aggregated from smaller solid or molten metal grains. The metal globules were further melted during transport to the high-temperature plume region or by plume shockwave heating. Thus, the composition of the glasses, the host metal, and the main mass of SG 013 shows dynamic heterogeneity of physical conditions and impact plume composition after a large-scale planetesimal collision.