Parking Capacity and Pricing in Park'n Ride Trips: A Continuous Equilibrium Network Design Problem

In this paper we consider the problem of designing parking facilities for park'n ride trips. We present a new continuous equilibrium network design problem to decide the capacity and fare of these parking lots at a tactical level. We assume that the parking facilities have already been located and other topological decisions have already been taken.The modeling approach proposed is mathematical programming with equilibrium constraints. In the outer optimization problem, a central Authority evaluates the performance of the transport network for each network design decision. In the inner problem a multimodal traffic assignment with combined modes, formulated as a variational inequality problem, generates the share demand for modes of transportation, and for parking facilities as a function of the design variables of the parking lots. The objective is to make optimal parking investment and pricing decisions in order to minimize the total travel cost in a subnetwork of the multimodal transportation system.We present a new development in model formulation based on the use of generalized parking link cost as a design variable.The bilevel model is solved by a simulated annealing algorithm applied to the continuous and non-negative design decision variables. Numerical tests are reported in order to illustrate the use of the model, and the ability of the approach to solve applications of moderate size.     

An attempt on the calculation of relativistic potential energy curves: Noble gas difluorides

Total energy SCF calculations were performed for noble gas difluorides in a relativistic procedure and compared with analogous non-relativistic calculations. The discrete variational method with numerical basis functions was used. Rather smooth potential energy curves could be obtained. The theoretical Kr-F and Xe-F bond distances were calculated to be 3.5 a.u. and 3.6 a.u. which should be compared with the experimental values of 3.54 a.u. and 3.7 a.u. Although the dissociation energies are off by a factor of about five it was found that ArF₂ may be a stable molecule. Theoretical ionization energies for the outer levels reproduce the experimental values for KrF₂ and XeF₂ to within 2 eV.     

On a recursive method for the estimation of unknown parameters of partially observed chaotic systems

We investigate a recently proposed method for on-line parameter estimation and synchronization in chaotic systems. This novel technique has been shown effective to estimate a single unknown parameter of a primary chaotic system with known functional form that is only partially observed through a scalar time series. It works by periodically updating the parameter of interest in a secondary system, with the same functional form as the primary one but no explicit coupling between their dynamic variables, in order to minimize a suitably defined cost function. In this paper, we review the basics of the method, and investigate its robustness and new extensions. In particular, we study the performance of the novel technique in the presence of noise (either observational, i.e., an additive contamination of the observed time series, or dynamical, i.e., a random perturbation of the system dynamics) and when there is a mismatch between the primary and secondary systems. Numerical results, including comparisons with other techniques, are presented. Finally, we investigate the extension of the original method to perform the estimation of two unknown parameters and illustrate its effectiveness by means of computer simulations.     

Highly polarized dithiafulvenes: synthesis and nonlinear optical properties

Push-pull dithiafulvenes with reduced bond length alternation (BLA) and high optical nonlinearities have been prepared. The interplay between the proaromaticity of the donor and the structural and optical properties of these merocyanines is discussed. The donor ability of dithiafulvenes can reach that of ferrocene or dialkylaminophenyl groups.     

Determination of Surface Functional Groups in Lignocellulosic Materials by Chemical Derivatization and ESCA Analysis

Simple and convenient methods for determining surface chemical composition of lignocellulosic materials are described. The methods are based on vapor phase fluorine surface derivatization with either trifluoro acetic anhydride (TFAA), tri-fluoro ethanol (TFE) or pentafluorophenyl hydrazine (PFPH) and subsequent Electron Spectroscopy for Chemical Analysis (ESCA). Model cellulosic surfaces with well defined functionalities were used to optimize the derivatization reaction conditions. Detection and accessibility of surface hydroxyl functional groups were investigated in cotton and regenerated cellulose as models. Carboxymethyl cellulose (CMC) was used as a model surface for detection and quantification of carboxylic acid groups. Theoretical conversion curves for derivatization reactions were calculated and used to evaluate the extent of the reactions on the model surfaces. It was found that the conversion was higher for the regenerated cellulose and CMC than for cotton. The protocols developed using the model surfaces were applied to a case study on wood fibers with different degrees of complexity, namely dissolving and chemithermomechanical (CTMP) pulp. Untreated and oxygen-plasma modified pulps were compared with respect to the surface composition of functional groups. According to the derivatization reactions, functionalities containing oxygen were significantly increased on the plasma-treated samples. The effect of the treatment was found to be dependent on the type of pulp. Fluorine derivatization is shown to be an unambiguous method for clear assessment of the chemical functionalities of cellulosic surfaces.     

Dual frames in connected with generalized sampling in shift-invariant spaces

The aim of this article is to derive stable generalized sampling in a shift-invariant space by using some special dual frames in L²(0,1). These sampling formulas involve samples of filtered versions of the functions in the shift-invariant space. The involved samples are expressed as the frame coefficients of an appropriate function in L²(0,1) with respect to some particular frame in L²(0,1). Since any shift-invariant space with stable generator is the image of L²(0,1) by means of a bounded invertible operator, our generalized sampling is derived from some dual frame expansions in L²(0,1).     

Toward phenanthridin-2-ylidene: electrophilicity versus acidity in planar-constrained C-aryl iminium salts

A phenanthridinium salt was prepared in four steps, including an intramolecular CH-arylation and a hydride abstraction reaction. Treatment with sterically demanding bases does not lead to the corresponding carbene, but rather to addition products: the planar-constrained geometry significantly enhances the electrophilicity over the acidity of C-aryl iminium salts.     

Order Embeddings with Irrational Codomain: Debreu Properties of Real Subsets

The objective of this paper is to investigate the role of the set of irrational numbers as the codomain of order-preserving functions defined on topological totally preordered sets. We will show that although the set of irrational numbers does not satisfy the Debreu property it is still nonetheless true that any lower (respectively, upper) semicontinuous total preorder representable by a real-valued strictly isotone function (semicontinuous or not) also admits a representation by means of a lower (respectively, upper) semicontinuous strictly isotone function that takes values in the set of irrational numbers. These results are obtained by means of a direct construction. Moreover, they can be related to Cantor’s characterization of the real line to obtain much more general results on the semicontinuous Debreu properties of a wide family of subsets of the real line.      

Extremal positive and self-adjoint extensions of suboperators

This work is supported in part by the fund OTKA (No. 5-134).