The Bayesian approach to an internally consistent thermodynamic database: theory, database, and generation of phase diagrams

An internally consistent thermodynamic dataset has been derived for 148 endmember phases (145 solids and 3 fluids) comprising the elements Li, Na, K, Be, Mg, Ca, Ti, Cr, Mn, Fe, Zn, Al, Si, C, H, and O. This has been achieved by simultaneous treatment of phase property (like standard enthalpy of formation, standard entropy, molar heat capacity, molar volume, thermal expansivity, bulk modulus etc.) and reaction reversal data by the Bayesian method. The theory underlying the approach, and the computational methods involved, are briefly outlined. (For the benefit of readers unfamiliar with inference statistics, the basic concepts of the Bayes method are also presented in such a way that they can be grasped intuitively.) Although not yet addressed, this method can be extended to refine the thermodynamic mixing properties of crystalline solutions. The sources of the input data, culled from the literature, are summarized in the Appendix. The resulting database is succinctly documented in this paper. It includes the enthalpies of formation and entropies, their uncertainties, and the correlation among them. The database allows calculation of P-T, T-X _CO2, P-X _CO2, and T-f _O2 sections, with error propagation into the computed phase diagrams on a routine basis. A user-friendly computer program has been written to generate such phase diagrams. It is public domain software. The software and the thermodynamic database (which includes a complete documentation of the thermodynamic data above and beyond those listed (Table 2, here) may be downloaded from the web site http://homepage.ruhr-uni-bochum.de/niranjan.chatterjee/Index.htm. Examples of computed phase diagrams are given to illustrate the quality of the data and the capabilities of the software. Received: 11 March 1998 / Accepted: 11 June 1998     

Search for exoelectrons in apollo 12 materials

The search for exoelectron emission from Apollo 12 materials usually produced negative results, suggesting that the concentration of naturally occurring traps is very low. Weak exoelectron activity was found scattered inhomogeneously within a pigeonite basalt rock and in a deep core tube sample. Its erratic appearance and intensity makes any interpretation of radiation history most difficult and is attributed to the activity being carried by only a few scattered crystals. The thermally stimulated emission of exoelectrons is judged an unsuitable technique for tracing the radiation histories of these samples.     

Constraints on the timing of granite emplacement, deformation and metamorphism in the Shamva area, Zimbabwe

In order to constrain the temporal relationship between granite (sensu lato) emplacement and metamorphism, isotope work was carried out on the minerals zircon and apatite (U-Pb), garnet (Pb-Pb) and hornblende (Ar-Ar) from wall rock samples in the Shamva area in Zimbabwe. The area, encompassing parts of the Chinamora and Murehwa batholiths and a wedge-shaped greenstone belt segment in between, is commonly quoted in the literature as an example illustrating pluton emplacement processes and deformational models for the Archean. New U-Pb dating of apatite from a boudinaged pegmatite within mafic schists in the batholith-greenstone contact zone has yielded an age of 2619 +28/-24 Ma. This age is interpreted as the best estimation of the intrusion age of this unit, depending on the assumed closure temperature, and provides an upper age limit for the syntectonic emplacement of the now gneissic granites. Pb-Pb dating of late kinematic garnets in cordierite-bearing rocks within the greenstone belt wall rocks gives an age of 2623NJ Ma. Together, this timing of relatively late, syntectonic plutonism and metamorphic mineral growth at ca. 2.62 Ga compares well with existing zircon crystallization ages for felsic volcanics (2645dž Ma, 2643NJ Ma) and post-tectonic porphyritic monzogranites (2601ᆢ Ma). Ar-Ar hornblende ages for mafic schists from different areas within the greenstone belt wall rocks range between 2621 and 2498 Ma and have been interpreted to indicate mixing between metamorphic ages and cooling ages. The data support a geological model whereby volcanism and sedimentation are associated with an early phase of regional deformation at ca. 2.64 Ga, which may have started earlier and lasted longer, and evolves into the voluminous emplacement of granites (now gneissic granites) in the batholiths at approximately 2.62 Ga. Emplacement of post-tectonic tabular monzogranites takes place at ca. 2.60 Ga.     

“Transgenic treadmill”: Responses to the emergence and spread of glyphosate-resistant johnsongrass in Argentina

The broad-spectrum herbicide glyphosate has become the largest-selling crop-protection product worldwide. The increased use of glyphosate is associated with the appearance of a growing number of tolerant or resistant weeds, with socio-environmental consequences apart from the loss of productivity. In 2002, a glyphosate-resistant biotype of johnsongrass (Sorghum halepense (L.)) appeared in Argentina and now covers at least 10,000 ha. This paper analyzes the driving forces behind the emergence and spread of this weed and also examines management responses and their implications.Preventive strategies against glyphosate-resistant johnsongrass fail because of the institutional setting. Reactive measures, however, transfer the risks to the society and the environment through the introduction of novel genetically modified crops that allow the use of yet more herbicide. This in turn reinforces the emergence of herbicide-resistant weeds, constituting a new phenomenon of intensification, the “transgenic treadmill”.     

40Ar/39Ar Thermochronology west of the Main Uralian fault, southern Urals, Russia

West of the Main Uralian fault, the main suture in the southern Urals, ⁴⁰Ar/³⁹Ar apparent ages of amphibole, muscovite and potassium feldspar are interpreted as cooling ages. A fast exhumation of the metamorphic complex of Kurtinsky during Upper Carboniferous time is indicated by the small age difference (15 Ma) between cogenetic amphibole and muscovite. Differentiated movement in the footwall of the Main Uralian fault along strike is indicated by the age difference of 70 Ma between the metamorphic complexes of Kurtinsky (north) and Maksyutov (south). No Upper Paleozoic (Uralian) medium- to high-temperature event is recorded in ⁴⁰Ar/³⁹Ar data from the metamorphic complex of Beloretzk (MCB). An amphibole age of 718±5 Ma and the occurrence of mafic intrusions might signal the break-up of Rodinia and therefore indicate the rifting period followed by the separate movement of the "Beloretzk terrane". Muscovite ages of approximately 550±5 Ma, the unique pre-Ordovician tectonometamorphic evolution of the MCB and the Late Vendian sedimentary history of the western Bashkirian Megaanticlinorium (BMA) imply the existence of a Neoproterozoic orogeny at the eastern margin of Baltica. This orogeny might have been initiated by the accretion of the "Beloretzk terrane". The metamorphic grade of the overlain Silurian shales and the K/Ar microcline ages from the "Beloretzk terrane" give evidence for a new thermal event at approximately 370 Ma. A microcline age of 530–550 Ma obtained for the Vendian conglomerate in the western BMA suggests that a maximum temperature of approximately 200°C was reached in Cambrian or Vendian times. An orthoclase age (590–630 Ma) of the Vendian Zigan flysch deposits might be inherited from the eastern source area, the Cadomian orogen. An orthoclase age (910–950 Ma) from the Riphean Zilmerdak conglomerate coincides with a documented decrease in the subsidence rate of the Upper Riphean basin.     

Oxidation and metal-insertion in molybdenite surfaces: evaluation of charge-transfer mechanisms and dynamics

Molybdenum disulfide (MoS₂), a layered transition-metal dichalcogenide, has been of special importance to the research community of geochemistry, materials and environmental chemistry, and geotechnical engineering. Understanding the oxidation behavior and charge-transfer mechanisms in MoS₂ is important to gain better insight into the degradation of this mineral in the environment. In addition, understanding the insertion of metals into molybdenite and evaluation of charge-transfer mechanism and dynamics is important to utilize these minerals in technological applications. Furthermore, a detailed investigation of thermal oxidation behavior and metal-insertion will provide a basis to further explore and model the mechanism of adsorption of metal ions onto geomedia.     

Chemical structural units of macromolecular coal components

Chemical degradations of coal resins, coal asphaltenes and coal residues have been performed with selective, non-oxidative reagents. The coal comprise samples a rank interval 0.30–1.21 %R_m. Degraded low-molecular-weight compounds were analyzed by GC-MS. The distributions of pentacyclic terpanes, isoprenoids, n-alkanes, acids and alcohols obtained as degradation products illustrate a considerable variability between the macromolecular coal fractions. A structural study on the molecular level of the degraded compounds from coal resins and coal asphaltenes show their potential to generate hydrocarbons during coalification process.     

Biogeochemistry of Mono Lake,California

Modern sediments of Mono Lake show marked variation in lipid composition with depositional environment. Constituents derived from the drainage basin, characterized by high molecular weight alkane hydrocarbons (C₂₅–C₃₁), and the steroids β-sitosterol and brassicasterol, predominate in near-shore environments. In the deepest part of the lake, sediments exhibit a combination of externally-derived constituents, and lipids derived from the lake biota; the latter characterized by low molecular-weight alkanes and alkenes (C₁₅–C₁₇), phytane, and the steroids ergost-7-en-3β-ol and 24-ethylcholest-7-en-3-β-ol. Steranes, 4-methylsteranes, and the C₁₈ and C₁₉ isoprenoids appear to be forming in the intensely reducing bottom sediments at the present time.The compositions of samples from the Pleistocene succession of Mono Basin suggest that sample-to-sample variation within the same stratum is negligible so long as unweathered samples from the same depositional environment are compared. Sediments having equivalent lithologies may or may not have similar compositions, but sediments having similar fossil contents do show similar lipid compositions. Subaerial weathering of sediments causes a marked decrease in the amount of extractable organic material, as well as distinct changes in its hydrocarbon composition. Specifically, weathered sediments exhibit a decrease in relative content of low molecular weight hydrocarbons and a relative increase in nC₂₂.Organic composition of sediments from the Pleistocene stratigraphie column cannot be correlated with depth of burial. Compositional changes with stratigraphie position are probably related to paleo-ecological factors such as population or productivity rather than depth of burial. Lithology and organic composition provide mutually-corroborating evidence regarding glacial advances in the adjacent Sierra Nevada Mountains. During glaciations, the lake sediments are rich in sandstones, and the organic composition shows a predominance of externally-derived debris, with no evidence for contributions from the lake biota.     

Zu den Kondensationskernverhältnissen von Wien

Zusammenfassung Nach allgemeinen und quantitativen Angaben über die Ursachen der Zu-und Abnahmen der Kondensationskerndichte wird auf die natürliche und industrielle Kernproduktion verwiesen. Auf Grund einjähriger Morgen- und Mittagsbeobachtungen in Wien mit einem Pollak-Kondensationskernzähler wird besonders die Sedimentation, der Washout- und Rainouteffekt, der Einfluss von Austausch und Windadvektion sowie der Jahres- und Wochengang besprochen.

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Summary General as well as quantitative details of reasons of the variations of the density of condensation nuclei is mentioned. Based on one year's records of observations in the morning and at noon in Vienna, executed by menas of a Pollak-condensation nucleus counter especially the effects of sedimentation, washout, rainout, exchange, wind advection, annual and weekly variation is discussed.

     

Synthesis in Estuarine and Coastal Ecological Research: What Is It,Why Is It Important,and How Do We Teach It?

During the last two decades, there has been growing interest in the integration of existing ideas and data to produce new synthetic models and hypotheses leading to discovery and advancement in estuarine and coastal science. This essay offers an integrated definition of what is meant by synthesis research and discusses its importance for exploiting the rapid expansion of information availability and for addressing increasingly complex environmental problems. Approaches and methods that have been used in published synthetic coastal research are explored and a list of essential steps is developed to provide a foundation for conducting synthetic research. Five categories of methods used widely in coastal synthesis studies are identified: (1) comparative cross-system analysis, (2) analysis of time series data, (3) balance of cross-boundary fluxes, (4) system-specific simulation modeling, and (5) general systems simulation modeling. In addition, diverse examples are used to illustrate how these methods have been applied in previous studies. We discuss the urgent need for developing curricula for classroom and experiential teaching of synthesis in coastal science to undergraduate and graduate students, and we consider the societal importance of synthetic research to support coastal resource management and policy development. Finally, we briefly discuss the crucial challenges for future growth and development of synthetic approaches to estuarine and coastal research.