Numerical simulation of the miscible displacement of radionuclides in a heterogeneous porous medium

The aim of this paper is to model and simulate the displacement of radioactive elements in a saturated heterogeneous porous medium. New schemes are proposed to solve accurately the convection–diffusion–reaction equations including nonlinear terms in the time derivative. Numerical tests show the stability and robustness of these schemes through strong heterogeneities of the medium. Finally the COUPLEX 1 benchmark concerning the far field simulation of a polluted flow by a leak of a nuclear waste disposal is performed and compared with the results available in the literature. Copyright © 2005 John Wiley & Sons, Ltd.     

Hierarchical Production-planning Systems: Extensions and Modifications

This paper extends earlier hierarchical production-planning approaches initiated by Hax and Meal. The proposed model incorporates both functional and hierarchical interfaces simultaneously as encountered in practice, and assures feasibility and consistency among the decisions made at the different hierarchical levels of the firm. The problem of infeasibility which arises in disaggregating the aggregate production plan into detailed schedules is solved using goal programming at the product-family disaggregation level, and using branch and bound at the item-disaggregation level. The proposed approach minimizes backlogging regardless of the underlying cost structure of the problem at hand.     

A potentiometric rhodamine-B based membrane sensor for the selective determination of chromium ions in wastewater.

The construction and performance characteristics of a novel chromate ion-selective membrane sensor are described and used for determining chromium(III) and chromium(VI) ions. The sensor is based on the use of a rhodamine-B chromate ion-associate complex as an electroactive material in a poly(vinyl chloride) membrane plasticized with o-nitrophenyloctyl ether as a solvent mediator. In a phosphate buffer solution of pH 6 - 7, the sensor displays a stable, reproducible and linear potential response over the concentration range of 1 x 10(-1) - 5 x 10(-6) mol l(-1) with an anionic Nernstian slope of 30.8 +/- 0.5 mV decade(-1) and a detection limit of 1 x 10(-6) mol l(-1) Cr(VI). High selectivity for Cr(VI) is offered over many common anions (e.g., I-, Br-, Cl-, IO4-, CN-, acetate, oxalate, citrate, sulfate, phosphate, thiosulfate, selenite, nitrate) and cations (e.g., Ag+, Ca2+, Sr2+, Co2+, Ni2+, Cu2+, Mn2+, Fe2+, Zn2+, Cd2+, Al3+, Cr3+). The sensor is used for determining Cr(VI) and/or Cr(III) ions in separate or mixed solutions after the oxidation of Cr(III) into Cr(VI) with H2O2. As low as 0.2 microg ml(-1) of chromium is determined with a precision of +/-1.2%. The chromium contents of some wastewater samples were accurately assessed, and the results agreed fairly well with data obtained by atomic absorption spectrometry.     

Magnetic field effect on free and bound excitons in chalcopyrite CuInS<Subscript>2</Subscript>

The effect of a strong magnetic field (induction up to 10 T) on free and bound excitons in CuInS₂ single crystals is studied. A diamagnetic shift to higher energies is observed in the luminescence and reflectance spectra for free-exciton lines A_LPB ≈ 1.5348 eV, A_UPB ≈ 1.5361 eV, and BC ≈ 1.557 eV. The diamagnetic shifts of free-exciton lines A_LPB, A_UPB, and BC provide a basis for estimating the exciton reduced masses = 0.131m₀, = 0.13 4m₀, and μ_BC = 0.111m₀, respectively. Bound-exciton lines in luminescence spectra are split under the influence of the magnetic field. The magnitude of the Zeeman effect (g-factor of the magnetic splitting) is estimated. __________ Translated from Zhurnal Prikladnoi Spektroskopii Vol. 74, No. 3, pp. 373–377, May–June, 2007.     

Synthesis of Nanoporous Ni‐Co Mixed Oxides by Thermal Decomposition of Metal‐Cyanide Coordination Polymers

A straightforward strategy to prepare nanoporous metal oxides with well‐defined shapes is highly desirable. Through thermal treatment and a proper selection of metal‐cyanide coordination polymers, nanoporous nickel‐cobalt mixed oxides with different shapes (i.e., flakes and cubes) can be easily prepared. Our nanoporous materials demonstrate high electrocatalytic activity for oxygen evolution reaction.     

Chemical transformations of tetracyclo[3.3.1.1<Superscript>3,7</Superscript>.0<Superscript>1,3</Superscript>]decane (1,3-dehydroadamantane): II. Reaction of 1,3-dehydroadamantane with <Emphasis Type="Italic">N,N</Emphasis>-dialkylcarboxamides

Alkylation of N,N-dialkylcarboxamides with 1,3-dehydroadamantane has been accomplished for the first time. The reaction involves the C–H bond in the α-position with respect to the carbonyl group and provides a convenient one-step preparation of substituted carboxylic acid amides containing an 1-adamantyl substituent and a pharmacophoric group in the amide moiety.     

Bayesian Model Assessment in Joint Modeling of Longitudinal and Survival Data With Applications to Cancer Clinical Trials

Joint models for longitudinal and survival data are routinely used in clinical trials or other studies to assess a treatment effect while accounting for longitudinal measures such as patient-reported outcomes. In the Bayesian framework, the deviance information criterion (DIC) and the logarithm of the pseudo-marginal likelihood (LPML) are two well-known Bayesian criteria for comparing joint models. However, these criteria do not provide separate assessments of each component of the joint model. In this article, we develop a novel decomposition of DIC and LPML to assess the fit of the longitudinal and survival components of the joint model, separately. Based on this decomposition, we then propose new Bayesian model assessment criteria, namely, ΔDIC and ΔLPML, to determine the importance and contribution of the longitudinal (survival) data to the model fit of the survival (longitudinal) data. Moreover, we develop an efficient Monte Carlo method for computing the conditional predictive ordinate statistics in the joint modeling setting. A simulation study is conducted to examine the empirical performance of the proposed criteria and the proposed methodology is further applied to a case study in mesothelioma. Supplementary materials for this article are available online.     

On drag, Strouhal number and vortex-street structure

A phenomenological model for the vortex-shedding process behind bluff cylindrical bodies is proposed. Relationships between Strouhal frequency St, drag coefficient c_D, Reynolds number Re and geometric wake parameters are obtained from mass conservation, momentum conservation in the transverse direction and energy considerations. For the first time, Roshko's (Technical Report TN 3169, NACA, US Government Printing Office, Washington DC, 1954) experimental discovery of vortex-street similarity behind different cylinders is analytically derived. In addition, the empirically obtained Strouhal-frequency laws of Roshko (Technical Report TN1191, NACA, US Government Printing Office, Washington DC, 1954) and Fey (Phys. fluids A 10 (1998) 1547) are also reproduced. Measurements of St and c_D including their Re dependency for flows around cylinders with circular, square, triangular, semi-circular and other cross sections agree favorably with the proposed model.