Solution of the MoMaS reactive transport benchmark with MIN3P—model formulation and simulation results

This paper summarizes the governing equations as implemented in the MIN3P multicomponent flow and reactive transport code (Mayer et al., Water Resour Res 38:1174, 2002) and introduces the equations in discretized form. Linearization and solution methods are presented including adaptive time stepping and update modification schemes. Code-specific details for the implementation of the GdR MoMaS benchmark simulations (Carrayrou et al., Comput Geosci, 2009) are presented. The standard version of the MIN3P code was used to solve the Easy, Medium, and Hard Test Cases, in one and two spatial dimensions, for both advection- and diffusion-dominated conditions. An analysis of the sensitivity of the solution in relation to spatial and temporal discretization parameters is provided for the Easy Test Case, selected results are presented for the Medium and Hard Test Cases, and the performance of the code as a function of discretization parameters is evaluated for all test cases.     

Aggregation of colloidal iron during estuarine mixing: Kinetics,mechanism, and seasonality

The colloid chemistry of iron and humic aggregation was studied in a series of laboratory experiments, which were related to seasonal aggregation extent data collected in a temperate estuary. Kinetically, the aggregation of iron occurs with a rapid initial reaction, finished within a few minutes, followed by an extensive, slow second reaction, which lasts for several hours. Organic carbon aggregation, however, occurs primarily in the first reaction. The first reaction is perikinetic while the second reaction is observed to be either perikinetic or orthokinetic, depending on the pore size of the filter used to clarify the suspension. The second reaction involves aggregation of small filtrable colloids (<0.5 μm) with larger aggregates formed in the first reaction, and follows pseudo-second order kinetics with respect to the filtrable iron concentration when finer filters (<0.5 μm) are used for clarification. Little or no temperature dependence is evident for the first reaction extent, while increasing temperature strongly enhances the second reaction. An activation energy of 9–11 kcal·mole^?1 for the second reaction is due to a combination of transport and charge repulsion terms. Field data show a correspondingly greater aggregation extent of iron with salinity in warmer months relative to colder months.     

A metric of background candidate assessment for spectral target signature transforms

Previous studies examined and tested a number of statistics-based registration-free transforms to find targets amid cluttered backgrounds. These transforms temporally evolve spectral target signatures under global, varying conditions using collected imagery of regions of similar objects and content distribution from datasets gathered at two different times. The transformed target signature is then inserted into the matched filter to search for targets. Although critical for transforming spectral target signatures, finding two suitable candidate regions is often difficult, computationally intensive, and may require the aid of an image analyst. This is the first study to examine a metric to help identify suitable areas for spectral target transformation. Specifically, this study examines and finds that the average correlation coefficient between the corrected histograms of the multispectral image cube collected at two times can help assess the similarity of the areas and indicate the target-to-clutter ratio, a metric shown to predict target detection performance in matched filter searches for targets.     

Hydrochemistry of urban groundwater in Seoul, South Korea: effects of land-use and pollutant recharge

The ionic and isotopic compositions (δD, δ¹⁸O, and ³H) of urban groundwaters have been monitored in Seoul to examine the water quality in relation to land-use. High tritium contents (6.1–12.0 TU) and the absence of spatial/seasonal change of O–H isotope data indicate that groundwaters are well mixed within aquifers with recently recharged waters of high contamination susceptibility. Statistical analyses show a spatial variation of major ions in relation to land-use type. The major ion concentrations tend to increase with anthropogenic contamination, due to the local pollutants recharge. The TDS concentration appears to be a useful contamination indicator, as it generally increases by the order of forested green zone (average 151 mg/l), agricultural area, residential area, traffic area, and industrialized area (average 585 mg/l). With the increased anthropogenic contamination, the groundwater chemistry changes from a Ca–HCO₃ type toward a Ca–Cl(+NO₃) type. The source and behavior of major ions are discussed and the hydrochemical backgrounds are proposed as the basis of a groundwater management plan.     

Stochastic management of pump-and-treat strategies using surrogate functions

Typical pump-and-treat (PAT) optimization problems involve design of pumping schemes, while minimizing cost and meeting a set of constraints. Due to scarcity of information about the hydrogeological system, stochastic modeling approaches can be used to assess tradeoffs between optimality and reliability. Using a stochastic approach, the constrained, single-objective problem may be turned into a multiobjective problem by substituting constraint inequalities with an additional objective function (OF) that accounts for the reliability of the PAT process. In this work, two approaches are analyzed: in one case, the additional OF consists of the probability of failure of a given remediation policy; in another, the OF additional is represented by the recourse, namely the penalty cost induced by the violation of constraints. In order to overcome the overwhelming computational cost required by stochastic simulation, surrogate forms of the OFs are introduced. In the test case under investigation, such functions are estimated by a kriging interpolation of the OF over a series of data points obtained from stochastic simulations of flow and transport, and calibrated against stochastic optimization solutions. The analysis of the two approaches for addressing the tradeoff of cost vs. reliability indicates that recourse accounts not only for the frequency of constraint violations, as the probability of failure does, but also for the intensity with which these occur. Ultimately, the recourse method allows considering less restrictive policies, although these may be highly sensitive to the choice of penalty functions.     

Circularization of Binary Orbits

In a previous paper Mayer and Hanna (1991) discussed the process of binary orbit circularization for detached eclipsing binaries. An agreement of observational data with Tassoul's circularization time formula for binaries with masses greater than 2.5 M was found. In the present paper we also examine orbital circularization in evolved spectroscopic binaries.     

Influence of stretching and density contrasts on the chemical evolution of continental magmas: an example from the Ivrea-Verbano Zone

 The southern Ivrea-Verbano Zone of the Italian Western Alps contains a huge mafic complex that intruded high-grade metamorphic rocks while they were resident in the lower crust. Geologic mapping and chemical variations of the igneous body were used to study the evolution of underplated crust. Slivers of crustal rocks (septa) interlayered with igneous mafic rocks are concentrated in a narrow zone deep in the complex (Paragneiss-bearing Belt) and show evidence of advanced degrees of partial melting. Variations of rare-earth-element patterns and Sr isotope composition of the igneous rocks across the sequence are consistent with increasing crustal contamination approaching the septa. Therefore, the Paragneiss-bearing Belt is considered representative of an “assimilation region” where in-situ interaction between mantle- and crust-derived magmas resulted in production of hybrid melts. Buoyancy caused upwards migration of the hybrid melts that incorporated the last septa and were stored at higher levels, feeding the Upper Mafic Complex. Synmagmatic stretching of the assimilation region facilitated mixing and homogenization of melts. Chemical variations of granitoids extracted from the septa show that deep septa are more depleted than shallow ones. This suggests that the first incorporated septa were denser than the later ones, as required by the high density of the first-injected mafic magmas. It is inferred that density contrasts between mafic melts and crustal rocks play a crucial role for the processes of contamination of continental magmas. In thick under plated crust, the extraction of early felsic/hybrid melts from the lower crust may be required to increase the density of the lower crust and to allow the later mafic magmas to penetrate higher crustal levels. Received: 2 May 1995 / Accepted: 1 November 1995     

Synthetic bayleyite,Mg2[UO2(CO3)3]·18H2O: Thermochemistry,crystallography and crystal structure

Summary Thermochemistry, morphology, optical properties and crystal structure of synthetic bayleyite, Mg₂[UO₂(CO₃)₃]·18H₂O, monoclinic, have been studied. Incongruent melting at 55°, three steps of dehydration and two steps of decarboxylation have been found by thermochemic investigations. Morphology: Prisms along [001] with {100}, {110}, {210}, {001}, {401}, {021}, {211}, {111} and as the most important forms. Optical data:n =1.453,n =1.498,n =1.499, 2V _x =16°,Y=b,X c=11°. Crystal structure: Space groupP2₁/a,a=26.560(3),b=15.256(2),c=6.505(1) Å, =92.90(1)°,Z=4,R=0.029 for 5126 independent reflections measured with MoK -radiation. The structure is built up from isolated Mg(H₂O)₆ octahedra, UO₂(CO₃)₃ units and lattice water molecules, all held together by hydrogen bonds only.

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Synthetischer Bayleyit, Mg₂[UO₂(CO₃)₃]·18H₂O: Thermochemie, Kristallographie und Kristallstruktur

Zuseammenfasung Thermochemie, Morphologie, optische Eigenschaften und Kristallstruktur von Bayleyit, Mg₂[UO₂(CO₃)₃]·18H₂O, monoklin, wurden anhand künstlich hergestellter Kristalle untersucht. Durch thermochemische Untersuchung wurden inkongruentes Schmelzen bei 55°, eine dreistufige Wasserabgabe sowie eine zweistufige CO₂-Abgabe festgestellt. Morphologie: parallel zu [001] gestreckte Prismen mit {100}, {110}, {210}, {001}, {401}, {021}, {211}, {111}, und {311} als wichtigste Formen. Optische Daten:n =1.453,n =1.498,n =1.499, 2V _x =16°,Y=b,X c=11°. Kristallstruktur: RaumgruppeP2₁/a,a=26.560(3),b=15.256(2),c=6.505(1) Å, =92.90(1)°,Z=4;R=0.029 für 5126 unabhängige, mit MoK -Strahlung gemessene Reflexe. Die Struktur enthält isolierte Mg(H₂O)₆-Oktaeder, UO₂(CO₃)₃-Gruppen und freie Wassermoleküle, die ausschließlich durch Wasserstoffbrücken miteinander verknüpft sind.

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With 4 Figures