A new multi-objective self-organizing optimization algorithm (MOSOA) for spatial optimization problems

Spatial planning is an important and complex activity. It includes land use planning and resource allocation as basic components. An abundance of papers can be found in the literature related to each one of these two aspects separately. On the contrary, a much smaller number of research reports deal with both aspects simultaneously. This paper presents an innovative evolutionary algorithm for treating combined land use planning and resource allocation problems. The new algorithm performs optimization on a cellular automaton domain, applying suitable transition rules on the individual neighbourhoods. The optimization process is multi-objective, based on non-domination criteria and self-organizing. It produces a Pareto front thus offering an advantage to the decision maker, in comparison to methods based on weighted-sum objective functions. Moreover, the present multi-objective self-organizing algorithm (MOSOA) can handle both local and global spatial constraints. A combined land use and water allocation problem is treated, in order to illustrate the cellular automaton optimization approach. Water is allocated after pumping from an aquifer, thus contributing a nonlinearity to the objective function. The problem is bi-objective aiming at (a) the minimization of soil and groundwater pollution and (b) the maximization of economic profit. An ecological and a socioeconomic constraint are imposed: (a) Groundwater levels at selected places are kept above prescribed thresholds. (b) Land use quota is predefined. MOSOA is compared to a standard multi-objective genetic algorithm and is shown to yield better results both with respect to the Pareto front and to the degree of compactness. The latter is a highly desirable feature of a land use pattern. In the land use literature, compactness is part of the objective function or of the constraints. In contrast, the present approach renders compactness as an emergent result.     

On Testing for the Number of Components in a Mixed Poisson Model

Poisson mixtures are usually used to describe overdispersed data. Finite Poisson mixtures are used in many practical situations where often it is of interest to determine the number of components in the mixture. Identifying how many components comprise a mixture remains a difficult problem. The likelihood ratio test (LRT) is a general statistical procedure to use. Unfortunately, a number of specific problems arise and the classical theory fails to hold. In this paper a new procedure is proposed that is based on testing whether a new component can be added to a finite Poisson mixture which eventually leads to the number of components in the mixture. It is a sequential testing procedure based on the well known LRT that utilises a resampling technique to construct the distribution of the test statistic. The application of the procedure to real data reveals some interesting features of the distribution of the test statistic.     

A technique for speeding up the solution of the Lagrangean dual

We propose techniques for the solution of the LP relaxation and the Lagrangean dual in combinatorial optimization and nonlinear programming problems. Our techniques find the optimal solution value and the optimal dual multipliers of the LP relaxation and the Lagrangean dual in polynomial time using as a subroutine either the Ellipsoid algorithm or the recent algorithm of Vaidya. Moreover, in problems of a certain structure our techniques find not only the optimal solution value, but the solution as well. Our techniques lead to significant improvements in the theoretical running time compared with previously known methods (interior point methods, Ellipsoid algorithm, Vaidya's algorithm). We use our method to the solution of the LP relaxation and the Langrangean dual of several classical combinatorial problems, like the traveling salesman problem, the vehicle routing problem, the Steiner tree problem, thek-connected problem, multicommodity flows, network design problems, network flow problems with side constraints, facility location problems,K-polymatroid intersection, multiple item capacitated lot sizing problem, and stochastic programming. In all these problems our techniques significantly improve the theoretical running time and yield the fastest way to solve them.     

Higher-order accurate polyspectral estimation with flat-top lag-windows

Improved performance in higher-order spectral density estimation is achieved using a general class of infinite-order kernels. These estimates are asymptotically less biased but with the same order of variance as compared to the classical estimators with second-order kernels. A simple, data-dependent algorithm for selecting the bandwidth is introduced and is shown to be consistent with estimating the optimal bandwidth. The combination of the specialized family of kernels with the new bandwidth selection algorithm yields a considerably improved polyspectral estimator surpassing the performances of existing estimators using second-order kernels. Bispectral simulations with several standard models are used to demonstrate the enhanced performance with the proposed methodology.     

Bulk Free Radical Polymerization of Methyl Methacrylate and Vinyl Acetate: A Comparative Study

The model and methodology for estimating diffusion‐controlled rate coefficients for the methyl methacrylate (MMA) polymerization system is extended to the vinyl acetate (VAc) case. Comparison of the kinetic behavior and termination rate coefficients (k_t) of both monomers suggests that at low conversions the termination reaction is controlled by the chemical step, whereas at moderate and high conversions it is controlled by the diffusive step which in turn is determined by the segmental diffusion of the long radicals and not by the center of mass diffusion of short radicals. It is found that, for most of the conversion range, diffusion coefficient for VAc is lower than the one for MMA notwithstanding that k_tVAc > k_tMMA. An explanation of this apparent inconsistency on the base of the model results and in terms of segmental mobility is proposed.

     

Formation of alkane‐phosphonic acid self‐assembled monolayers on alumina: an in situ SPR study

The formation process of n‐alkane phosphonic acid CH₃ (CH₂)_n?1 PO(OH)₂ (n = 10,12,14,18) self‐assembled monolayers (SAMs), deposited from ethanol solutions on aluminum oxide, has been monitored in situ using surface plasmon resonance (SPR) spectroscopy. In addition, the two‐solvent approach is used to obtain both film thickness and refractive index of the fully formed adsorbed layers. A densely packed adsorbed layer is formed only for the longest molecules with n = 18. The chain length and solution concentration dependence of formation kinetics are studied, and the existence of two distinct kinetic steps is revealed. Fittings of the experimental results with various kinetic models are performed. Our analysis suggests that during the first kinetic step, a transition from a lying‐down to a standing‐up phase takes place, and the growth of this standing‐up phase is governed by second‐order kinetics. The second slow kinetic step is described by a modified first‐order Langmuir law. Copyright © 2009 John Wiley & Sons, Ltd.     

Alkyd resins derived from glycolized waste poly(ethylene terephthalate)

In this investigation the production of secondary value-added products, such as alkyd resins, derived from the glycolysis of poly(ethylene terephthalate) (PET) is examined as an effective way for its recycling. PET was taken from common soft-drink bottles and diethylene glycol (DEG) was used for the depolymerization at several initial molar ratios. The oligomers obtained were analyzed according to their average molecular weights. Furthermore, the glycolyzed PET products (oligomers) were reacted with maleic anhydride, phthalic anhydride and propylene glycol to form unsaturated polyester resins. These were subsequently mixed with styrene and cured using the benzoyl peroxide/amine initiator system to carry out the reaction in ambient temperature. The curing characteristics of the resins produced were investigated with respect to the initial molar ratio of DEG/PET as well as the initial initiator concentration. Finally, the mechanical properties (tensile strength and elongation at the break point) of the resins were compared with the conventional general purpose resin and were found to be comparable.     

A two-step, one-pot enzymatic synthesis of 2-substituted 1,3-diols

A biocatalytic cascade reaction was designed for the stereoselective synthesis of optically pure 2-alkyl-1,3-diols employing two enzymes. The cascade process consists of two consecutive steps: a stereoselective diketone reduction and a hydroxy ketone reduction. Chiral diols were formed by the addition of ketoreductases in the same vessel, in high stereoselectivity and chemical yield, without the isolation of the intermediate β-hydroxy ketones.     

Investigation of the local composition enhancement and related dynamics in supercritical CO2-cosolvent mixtures via computer simulation: the case of ethanol in CO2

The supercritical mixture ethanol-carbon dioxide (EtOH-CO2) with mole fraction of ethanol X(EtOH) congruent with 0.1 was investigated at 348 K, by employing the molecular dynamics simulation technique in the canonical ensemble. The local intermolecular structure of the fluid was studied in terms of the calculated appropriate pair radial distribution functions. The estimated average local coordination numbers and mole fractions around the species in the mixture reveal the existence of local composition enhancement of ethanol around the ethanol molecules. This finding indicates the nonideal mixing behavior of the mixture due to the existence of aggregation between the ethanol molecules. Furthermore, the local environment redistribution dynamics have been explored by analyzing the time correlation functions (TCFs) of the total local coordination number (solvent, cosolvent) around the cosolvent molecules in appropriate parts. The analysis of these total TCFs in the auto-(solvent-solvent, cosolvent-cosolvent) and cross-(solvent-cosolvent, cosolvent-solvent) TCFs has shown that the time dependent redistribution process of the first solvation shell of ethanol is mainly determined by the redistribution of the CO2 solvent molecules. These results might be explained on the basis of the CO2-CO2 and EtOH-CO2 intermolecular forces, which are sufficiently weaker in comparison to the EtOH-EtOH hydrogen bonding interactions, creating in this way a significantly faster redistribution of the CO2 molecules in comparison with EtOH. Finally, the self-diffusion coefficients and the single reorientational dynamics of both the cosolvent and solvent species in the mixture have been predicted and discussed in relationship with the local environment around the species, which in the case of the EtOH molecules seem to be strongly affected.     

Determination of carbendazim,thiabendazole, and<Emphasis Type="Italic"> o-</Emphasis>phenylphenol residues in lemons by HPLC following sample clean-up by ion-pairing

An efficient analytical method is presented involving effective sample clean-up with solid-phase extraction and HPLC-UV analysis for the simultaneous determination of carbendazim, thiabendazole, and o-phenylphenol residues in lemons. Sample preparation involves extraction with acetonitrile acidified with trifluoroacetic acid and an ethyl acetate/petroleum ether mixture. Purification of the crude extract was carried out with liquid–liquid partitioning after addition of an aqueous ammonia solution. Final clean-up was performed on polymeric reversed-phase cartridges pretreated with sodium dodecyl sulfate. Chromatographic analysis was performed on a reversed-phase HPLC column isocratically eluted with an acetonitrile/water/ammonia mixture and UV detection at 254 nm. The chromatographic method is repeatable, reproducible, and sensitive. Fungicide recoveries from lemon samples fortified at levels of 5 and 1 mg kg^–1 were 81–85% for carbendazim, 96–98% for thiabendazole, and 81–106% for o-phenylphenol with coefficients of variation of 2.5–7.4%. Detection limits for carbendazim, thiabendazole, and o-phenylphenol in lemons were 0.21, 0.27, and 0.51 mg kg^–1, respectively.