Mapping of shallow coastal groundwaters, their hydrology and environmental geochemistry : Pumicestone catchment, Southeast Queensland

Blooms of the toxic cyanobacterium majuscula Lyngbya in the coastal waters of southeast Queensland have caused adverse impacts on both environmental health and human health, and on local economies such as fishing and tourism. A number of studies have confirmed that the main limiting nutrients (“nutrients of concern”) that contribute to these blooms area Fe, DOC, N, P and also pH. This study is conducted to establish the distribution of these parameters in a typical southeast Queensland coastal setting. The study maps the geochemistry of shallow groundwater in the mainland Pumicestone catchment with an emphasis on the nutrients of concern to understand how these nutrients relate to aquifer materials, landuse and anthropogenic activities. The results of the study form a GIS information layer which will be incorporated into a larger GIS model being produced by Queensland Department of Environment and Resource Management (DERM) to support landuse management to avoid/minimize blooms of Lyngbya in Moreton Bay, southeast Queensland, and other similar settings. A total of 38 boreholes were established in the mainland Pumicestone region and four sampling rounds of groundwater carried out in both dry and wet conditions. These groundwater samples were measured in the field for physico-chemical parameters, and in the laboratory analyses for the nutrients of concern, and other major and minor ions. Aquifer materials were confirmed using the Geological Survey of Queensland digital geology map, and geomaterials were assigned to seven categories which are A (sands), B (silts, sandy silts), C (estuarine mud, silts), D (humid soils), E (alluvium), F (sandstone) and G (other bedrock). The results of the water chemistry were examined by use of the software package AquaChem/AqQA, and divided into six groundwater groups, based on groundwater chemical types and location of boreholes. The type of aquifer material and location, and proximity to waterways was found to be important because they affected physico-chemical properties and concentrations of nutrients of concern and dissolved ions. The analytical results showed that iron concentrations of shallow groundwaters were high due to acid sulfate soils, and also mud and silt, but were lower in sand materials. DOC concentrations of these shallow groundwaters in the sand material were high probably due to rapid infiltration. In addition, DOC concentrations in some boreholes were high because they were installed in organic rich wetlands. The pH values of boreholes were from acidic to near neutral; some boreholes with pH values were low (< 4), showing acid sulfate soils in these boreholes. Concentrations of total nitrogen and total phosphorus of groundwaters were generally low, and the main causes of elevated concentrations of total nitrogen and total phosphorus are largely due to animal and human wastes and tend to be found in localized source areas. Comparison of the relative percentage of nitrogen species (NH3/NH4< Org-N, NO3-N and NO2-N) demonstrated that they could be related to sources such as animal waste, residential and agricultural fertilizers, forest and vegetation, mixed residents and farms, and variable setting and vegetation covers. Total concentrations of dissolved ions in sampling round 3 (dry period) were higher than those in sampling round 2 (wet period) due to both evaporation of groundwater in the dry period and the dilution of rainfall in the wet period. This showed that the highest concentrations of nutrients of concern were due to acid sulfate soils, aquifer materials, landuse and anthropogenic activities and were typically in aquifer materials of E (alluvium) and C (estuarine muds) and locations of Burpengary, Caboolture, and Glass Mountain catchments.

Mechanical properties of graphene : effects of layer number, temperature and isotope

Herein the mechanical properties of graphene, including Young’s modulus, fracture stress and fracture strain have been investigated by molecular dynamics simulations. The simulation results show that the mechanical properties of graphene are sensitive to the temperature changes but insensitive to the layer numbers in the multilayer graphene. Increasing temperature exerts adverse and significant effects on the mechanical properties of graphene. However, the adverse effect produced by the increasing layer number is marginal. On the other hand, isotope substitutions in graphene play a negligible role in modifying the mechanical properties of graphene.

Modelling carbon membranes for gas and isotope separation

Molecular modelling has become a useful and widely applied tool to investigate separation and diffusion behavior of gas molecules through nano-porous low dimensional carbon materials, including quasi-1D carbon nanotubes and 2D graphene-like carbon allotropes. These simulations provide detailed, molecular level information about the carbon framework structure as well as dynamics and mechanistic insights, i.e. size sieving, quantum sieving, and chemical affinity sieving. In this perspective, we revisit recent advances in this field and summarize separation mechanisms for multicomponent systems from kinetic and equilibrium molecular simulations, elucidating also anomalous diffusion effects induced by the confining pore structure and outlining perspectives for future directions in this field.

Assessment of body composition in Indian adults: comparison between dual-energy X-ray absorptiometry and isotope dilution technique

Dual-energy X-ray absorptiometry (DXA) and isotope dilution technique have been used as reference methods to validate the estimates of body composition by simple field techniques; however, very few studies have compared these two methods. We compared the estimates of body composition by DXA and isotope dilution (18O) technique in apparently healthy Indian men and women (aged 19–70 years, n 152, 48 % men) with a wide range of BMI (14–40 kg/m2). Isotopic enrichment was assessed by isotope ratio mass spectroscopy. The agreement between the estimates of body composition measured by the two techniques was assessed by the Bland–Altman method. The mean age and BMI were 37 (SD 15) years and 23·3 (SD 5·1) kg/m2, respectively, for men and 37 (SD 14) years and 24·1 (SD 5·8) kg/m2, respectively, for women. The estimates of fat-free mass were higher by about 7 (95 % CI 6, 9) %, those of fat mass were lower by about 21 (95 % CI 218,223) %, and those of body fat percentage (BF%) were lower by about 7·4 (95 % CI 28·2, 26·6) % as obtained by DXA compared with the isotope dilution technique. The Bland–Altman analysis showed wide limits of agreement that indicated poor agreement between the methods. The bias in the estimates of BF% was higher at the lower values of BF%. Thus, the two commonly used reference methods showed substantial differences in the estimates of body composition with wide limits of agreement. As the estimates of body composition are method-dependent, the two methods cannot be used interchangeably

Late Svecofennian leucogranites of southern Finland : Chronicles of an orogenic collapse

Leucogranite magmatism occurred in southern Finland during the later stages of the Paleoproterozoic Svecofennian orogeny. The leucogranites are considered to have formed from pre-existing crustal rocks that have undergone anatexis in the extensional stage of the orogeny, following continental collision and resultant crustal thickening. The leucogranites have been studied in the field using petrographic and mineralogical methods, elemental and isotope geochemistry on whole rocks and minerals, and U-Pb geochronology. On outcrop scale, these granites typically form heterogeneous, layered, sheet-like bodies that migmatize their country rocks. All of the leucogranites are peraluminous and rich in SiO2, but otherwise display significant geochemical variation. Their Nd isotope composition ranges from fairly juvenile to very unradiogenic, and the Hf isotope composition of their zircon shows a varying degree of mixing in the source, the zircon populations becoming more heterogeneous and generally less radiogenic towards the east. The leucogranites have been dated using U-Pb isotopic analyses, utilizing thermal ionization mass spectrometry, secondary ion mass spectrometry, and laser ablation multicollector ICP mass spectrometry on zircon and monazite. The results show that the granites were emplaced between 1.85 Ga and 1.79 Ga, which is a considerably longer period than has traditionally been perceived for these rocks. The rocks tend to become younger towards the east. Single crystal data also display a wide array of inherited zircons, especially in the eastern part of the leucogranite belt. The most common inherited age groups are ~2.8 2.5 Ga, ~2.1 2.1 Ga, and ~1.9 Ga. Magmatic zircon and monazite usually record similar ages for any one sample.Thermobarometric calculations indicate that the leucogranites in the Veikkola area of southcentral Finland were formed from relatively low-temperature melts, and emplaced at 17-25 km depth, i.e. at mid-crustal level. It is likely that these conditions apply to the Svecofennian leucogranites in general. Large differences in the Hf and Nd isotope compositions, emplacement ages, and distributions of inherited zircon ages show that these granites were formed from different types of source rocks, which probably included both sedimentary and igneous rocks.

Litogeoquímica, geocronologia (U-Pb) e geoquímica isotópica (Sr-Nd) dos granitoides do Domínio Cambuci (Faixa Ribeira) na região limítrofe dos Estados do Rio de Janeiro e Espírito Santo

Os granitoides do Domínio Cambuci, na região limítrofe entre os estados do Rio de Janeiro e Espírito Santo, foram separados em quatro principais grupos: (1) Complexo Serra da Bolívia (CSB) - Ortogranulitos e Ortognaisses Heterogêneos; Ortognaisse Cinza Foliado; e charnockitos da Região de Monte Verde (2) Leucogranitos/leucocharnockitos gnaissificados da Suíte São João do Paraíso (SSJP) (3) Granito Cinza Foliado (4) Leucogranito isotrópico. O CSB é caracterizado pelo magmatismo de caráter calcioalcalino do tipo I, oriundo em ambiente de arco vulcânico (Suíte Monte Verde) e retrabalhamento crustal (ortogranulitos leucocráticos). O Ortogranulito esverdeado fino, é considerado no presente estudo como rocha do embasamento para o Terreno Oriental, cristalizada durante o paleoproterozoico - Riaciano (2184,3 21 Ma) e recristalizada durante o evento metamórfico Brasiliano no neoproterozoico - Edicariano (607,2 1,5 Ma), cuja idade TDM é de 2936 Ma. O Ortogranulito leucocrático médio cristalizou-se no neoproterozoico Edicariano (entre 592 e 609 Ma) e idade TDM ca. 2100 Ma, ao qual apresenta registro de herança no paleoproterozoico. A Suíte Monte Verde caracteriza-se por um magmatismo calcioalcalino e a Suíte Córrego Fortaleza, por um magmatismo calcioalcalino de alto K, ambas com assinatura de arco magmático. Registram dois pulsos magmáticos, em no Neoproterozoico - Edicarano: um em 592 2 Ma, idade do charnoenderbito, com idade TDM 1797 Ma, e outro em 571,2 1,8 Ma (injeção de um charnockitoide). Para todas as rochas do CSB são registradas feições protomiloníticas, miloníticas e localmente ultramiloníticas. Os dados geoquímicos indicam que os granitoides da SSJP são da série calcioalcalina de alto K, gerados no Neoproterozoico (idades que variam desde 610,3 4,7 Ma até, 592,2 1,3 Ma. As idades TDM revelam valores discrepantes para duas amostras: 1918 Ma e 2415 Ma, sugerindo que tenham sido geradas de diferentes fontes. O Granito Cinza Foliado é da Série Shoshonítica, metaluminoso do tipo I e, de ambiência tectônica de granitos intraplaca. Entretanto, poderiam ter sido fomados em ambiente de arco cordilheirano, havendo contaminação de outras fontes crustais. Fato este pode ser confirmado pelas as idades TDM calculadas ≈ 1429 1446 Ma. O Leucogranito isotrópico ocorre em forma de diques de direção NW, possui textura maciça e é inequigranular. Dados geoquímicos revelam que são granitoides metaluminosos do tipo I da série shoshonítica, e, de acordo com a ambiência tectônica, são granitos intraplaca. O Leucogranito Isotrópico representa o magmatismo pós-colisional ao qual ocorreu entre 80 a 90 Ma de anos após o término do evento colisional na região central da Faixa Ribeira. O Leucogranito Issotrópico cristalizou-se no cambriano (512,3 3,3 Ma e 508,6 2,2 Ma) e com idades TDM ca. 1900

Relations between A-type granites and copper mineralization as exemplified by the Machangqing Cu deposit

This paper deals with the relations between the Machangqing rockbody which corresponds to the A-type granites and porphyry copper mineralization in terms of petrochemistry, trace element geochemistry, fluid inclusion geochemistry and isotope geochemistry. The results show that the Machangqing porphyry copper deposit was formed from the fluid predominated by mag-matic fluid. This kind of ore-forming fluid was just differentiated from the magma responsible for the A-type granites. therefore,as viewed from whereer they contain water or not,the A-type granites can,at least,be divided into two types: water-bearing and water-free.The water-bearing A-type granites can serve as the host ofporphyry copper deposits under certain geological conditions.

Ferroelectricity and isotope effects in hydrogen-bonded KDP crystals

Based on an accurate first principles description of the energetics in H-bonded potassium-dihydrogen-phosphate crystals, we conduct a first study of nuclear quantum effects and of the changes brought about by deuteration. Tunneling is allowed only for clusters involving correlated protons and heavy ion displacements, the main effect of deuteration being a depletion of the proton probability density at the O-H-O bridge center, which in turn weakens its proton-mediated covalent bonding. The ensuing lattice expansion couples self-consistently with the proton off-centering, thus explaining both the giant isotope effect and its close connection with geometrical effects.

First-principles study of ferroelectricity and isotope effects in H-bonded KH2PO4 crystals

By means of extensive first-principles calculations we studied the ferroelectric phase transition and the associated isotope effect in KH2PO4 (KDP). Our calculations revealed that the spontaneous polarization of the ferroelectric phase is due to electronic charge redistributions and ionic displacements which are a consequence of proton ordering, and not vice versa. The experimentally observed double-peaked proton distribution in the paraelectric phase cannot be explained by a dynamics of only protons. This requires, instead, collective displacements within clusters that include also the heavier ions. These tunneling clusters can explain the recent evidence of tunneling obtained from Compton scattering measurements. The sole effect of mass change upon deuteration is not sufficient to explain the huge isotope effect. Instead, we find that structural modifications deeply connected with the chemistry of the H bonds produce a feedback effect on tunneling that strongly enhances the phenomenon. The resulting influence of the geometric changes on the isotope effect agrees with experimental data from neutron scattering. Calculations under pressure allowed us to analyze the issue of universality in the disappearance of ferroelectricity upon compression. Compressing DKDP so that the distance between the two peaks in the deuteron distribution is the same as for protons in KDP, corresponds to a modification of the underlying double-well potential, which becomes 23 meV shallower. This energy difference is what is required to modify the O-O distance in such a way as to have the same distribution for protons and deuterons. At the high pressures required experimentally, the above feedback mechanism is crucial to explain the magnitude of the geometrical effect.

PREDISSOCIATION OF H-3 N = 2 RYDBERG STATES - PRODUCT BRANCHING AND ISOTOPE EFFECTS

A translational spectroscopy technique is used to obtain predissociation kinetic energy release spectra from the lowest bound states of H-3, 2s 2A1' and 2p 2A