Structure and growth kinetics of the oxidation process of Fe(001) whisker surfaces over a 10-decade pressure range

Fe(001) surfaces of whiskers of good crystalline quality were oxidized in a pressure range from 10^? 7 mbar to 1 bar at different temperatures. Epitaxial Fe₃O₄ and FeO thin films with negligible strain were grown depending on the oxidation temperatures. The kinetics of the oxide thickness growth was measured and compared with the predictions of the Fromhold–Cook theory for oxidation of metals. Some discrepancies were found and a possible explanation is presented.     

Bounded lower subdifferentiability optimization techniques: applications

In this article we develop a global optimization algorithm for quasiconvex programming where the objective function is a Lipschitz function which may have “flat parts”. We adapt the Extended Cutting Angle method to quasiconvex functions, which reduces significantly the number of iterations and objective function evaluations, and consequently the total computing time. Applications of such an algorithm to mathematical programming problems in which the objective function is derived from economic systems and location problems are described. Computational results are presented.     

Synthesis and photochemical properties of poly(2,5-dimethoxy-p-phenylenevinylene) hosted in the intergallery spaces of montmorillonite

Poly(2,5-dimethoxy-p-phenylenevinylene) (dMeOPPV) has been formed in the intergallery spacing of a montmorillonite by introducing the (2,5-dimethoxy-1,4-phenylene)bis(methylene-S-tetrahydrothiophenium) monomer by ion exchange, increasing the basicity of the solid aluminosilicate with Cs(+) and subsequent heating at 200 degrees C. dMeOPPV@montmorillonite was characterized by optical spectroscopy, FT-IR spectroscopy, solid-state (13)C NMR, photoluminescence, and chemical analysis. All the data are compatible with that reported in the literature for pure dMeOPPV. The dMeOPPV polymer incorporated inside montmorillonite exhibits a green light emission which makes the organic polymer very attractive for its application in polymer light-emitting diodes (PLEDs). The new polymeric material can be submitted to laser irradiation (laser power, 10 mJ pulse(-1)) under oxygen without decomposition.     

MIRHA: multi-start biased randomization of heuristics with adaptive local search for solving non-smooth routing problems

This paper discusses the use of probabilistic or randomized algorithms for solving vehicle routing problems with non-smooth objective functions. Our approach employs non-uniform probability distributions to add a biased random behavior to the well-known savings heuristic. By doing so, a large set of alternative good solutions can be quickly obtained in a natural way and without complex configuration processes. Since the solution-generation process is based on the criterion of maximizing the savings, it does not need to assume any particular property of the objective function. Therefore, the procedure can be especially useful in problems where properties such as non-smoothness or non-convexity lead to a highly irregular solution space, for which the traditional optimization methods—both of exact and approximate nature—may fail to reach their full potential. The results obtained so far are promising enough to suggest that the idea of using biased probability distributions to randomize classical heuristics is a powerful one that can be successfully applied in a variety of cases.     

Consumer price sensitivity in the retail industry: Latitude of acceptance with heterogeneous demand

Estimating the effect of price changes on demand is an essential task for retailers. This study proposes a methodology based on consumer utility for modeling the price thresholds phenomenon that allows for threshold asymmetry, incorporates consumer heterogeneity and uses weekly aggregated brand-level data. Unlike other studies based on consumer utility models, which generate results only for the price elasticity of market share, a methodology for estimating price elasticity of demand is also included. Data on fast-moving goods (detergents, toilet paper, soft drinks, meats, liquid juices and yogurts) supplied by a major retail chain are used to demonstrate the existence of price thresholds and their effects on price elasticity. In every case it was found that within the thresholds or latitude of acceptance, consumers are relatively less sensitive to price variations while beyond them a higher sensitivity was observed. In some cases a product brand was classified as inelastic within the latitude of acceptance and elastic outside of it.     

Bilinear modelling of batch processes. Part II: a comparison of PLS soft‐sensors

The on‐line monitoring of batch processes based on principal component analysis (PCA) has been widely studied. Nonetheless, researchers have not paid so much attention to the on‐line application of partial least squares (PLS). In this paper, the influence of several issues in the predictive power of a PLS model for the on‐line estimation of key variables in a batch process is studied. Some of the conclusions can help to better understand the capabilities of the proposals presented for on‐line PCA‐based monitoring. Issues like the convenience of batch‐wise or variable‐wise unfolding, the method for the imputation of future measurements and the use of several sub‐models are addressed. This is the first time that the adaptive hierarchical (or multi‐block) approach is extended to the PLS modelling. Also, the formulation of the so‐called trimmed scores regression (TSR), a powerful imputation method defined for PCA, is extended for its application with PLS modelling. Data from two processes, one simulated and one real, are used to illustrate the results. Copyright © 2008 John Wiley & Sons, Ltd.     

Using Unfold‐PCA for batch‐to‐batch start‐up process understanding and steady‐state identification in a sequencing batch reactor

In chemical and biochemical processes, steady‐state models are widely used for process assessment, control and optimisation. In these models, parameter adjustment requires data collected under nearly steady‐state conditions. Several approaches have been developed for steady‐state identification (SSID) in continuous processes, but no attempt has been made to adapt them to the singularities of batch processes. The main aim of this paper is to propose an automated method based on batch‐wise unfolding of the three‐way batch process data followed by a principal component analysis (Unfold‐PCA) in combination with the methodology of Brown and Rhinehart 2 for SSID. A second goal of this paper is to illustrate how by using Unfold‐PCA, process understanding can be gained from the batch‐to‐batch start‐ups and transitions data analysis. The potential of the proposed methodology is illustrated using historical data from a laboratory‐scale sequencing batch reactor (SBR) operated for enhanced biological phosphorus removal (EBPR). The results demonstrate that the proposed approach can be efficiently used to detect when the batches reach the steady‐state condition, to interpret the overall batch‐to‐batch process evolution and also to isolate the causes of changes between batches using contribution plots. Copyright © 2007 John Wiley & Sons, Ltd.     

EPR study of the diluted magnetic semiconductor CuGa1−xMnxTe2

Electron paramagnetic resonance (EPR) experiments were made in the diluted magnetic semiconductor CuGa_1−xMn_xTe₂, in the temperature range 70<T<300 K. The samples were synthesized by direct fusion of stoichiometric mixtures of the elements, with Mn composition from x=0.0 to 0.25. The EPR spectra were measured as function of temperature, Mn composition, and field orientation. The temperature variation of the resonance field shows a critical point at about 235 K, and is associated with a transition from the ferromagnetic to the superparamagnetic state. The resonance field was also measured as a function of the field angle, and displays a well-defined uniaxial symmetry. This uniaxial field depends on the Mn concentration and is due to tetragonal distortions induced by Mn²⁺ at Ga sites, and the demagnetizing effects due to formation of ferromagnetism (FM) Mn-clusters.     

Determination of lead in complex sample matrices by atomic fluorescence spectrometry: optimisation of online hydride generation

Lead hydride or plumbane (PbH₄) generation was optimised by exploiting a simple flow-injection method coupled to atomic fluorescence spectrometry (HG-AFS), and allowing ultra-trace lead determination. Plumbane was generated through two methods: (1) 5% (v/v) H₂O₂ was employed as oxidant with 1.5% (m/v) KBH₄ as a reducing agent and 1.5% (v/v) HCl solution; (2) with 1.5% (m/v) K₃[Fe(CN)₆] as an oxidant/sensitiser, 1% (m/v) KBH₄ as a reducing agent and 1.5% (v/v) HCl. Variables such as reagent concentrations, flow rates and sample and reagent volumes were tested and critically compared. The best results were obtained with potassium ferricyanide K₃[Fe(CN)₆], achieving a detection limit of 0.03 μg Pb L^?1 and a relative standard deviation (RSD) of 1.1%. The selected method was validated by analysis of certified reference materials such as SRM-2976 (mussel tissue) and BCR-610 (groundwater), with good agreement with the certified values. The developed methodology was successfully applied to different environmental sample matrices, such as rain water, tap water, ground water, spring water and drinking water, and biological samples, i.e., human blood, plasma and serum.