Quantum chemical studies of Li cation binding to polyalkyloxides

A quantum chemical study of the binding of Li⁺ cation to polyalkyloxides has been carried out. The lithium cation interaction with three polyalkyloxides (polyethylene oxide (PEO), polytrimethylene oxide (PTMO), and polypropylene oxide (PPO)) has been investigated using ab initio molecular orbital theory at the HF/6-31G^* level with molecular models for the polymers. Coordination by one to six oxygens was considered. In addition, higher level calculations were carried out using G3(MP2) theory for coordination of Li⁺ by one oxygen. For coordination of lithium by one oxygen, the binding energy ordering is PTMO>PPO>PEO, with PTMO having the largest lithium cation affinity. The same ordering is found for larger coordination numbers with the exception of coordination by six oxygens, where the ordering changes due to the steric interactions.     

Microbiological denitrification of red beet juice

The purpose of study was the determination of optimal conditions for red beet juice denitrification by Paracoccus denitrificans bacteria as well as the evaluation of the usefulness of microbiologically treated juice for the production of a natural colouring preparation for foods. Total reduction of nitrates was found during bacterial culturing at 25 and 30 °C, at an initial pH of 7.0-8.0 and juice osmotic pressure of 900-1100 mOsm/kg. Microbiological denitrification procedure affected colour, taste and aroma of the juice. However, the use of juice as food colouring and component was made feasible by acidification and partial evaporation of water together with volatile substances.     

Suspension force and mechanism of debris flows

The paper discusses the postulated suspension force, by which it is possible to explain some enigmatic phenomena observed in different types of mass movements. This force is generated in thick suspensions as a result of friction between sinking solid particles and static water. The suspension force is related to the seepage force but they have opposite directions. Both forces form flow networks. Having explained the suspension force, the paper describes how this influences the movement of material, particularly in debris flows. Enigmatic features and the mechanism of debris flows and lahars are explained by virtue of the suspension force. Electronic Publication     

Scheduling railway traffic at a construction site

We consider the problem of rescheduling trains in the case where one track of a railway section consisting of two tracks in opposing directions is closed due to construction activities. After presenting an appropriate model for this situation we derive a polynomial algorithm for the subproblem of finding an optimal schedule with minimal latenesss if the subsequences of trains for both directions outside the construction site are fixed. Based on this algorithm we propose a local search procedure for the general problem of finding good schedules and report test results for some real world instances. Received: December 8, 1999 / Accepted: May 2, 2001     

Replacement of beef fat in Frankfurters by interesterified palm,cottonseed and olive oils

Three interesterified vegetable oils (IVOs) prepared from palm, cottonseed, and olive oil, respectively, have been studied for application to Frankfurters. Beef fat (10%) was replaced by one of the IVOs at 20, 60 or 100%. Fatty acid composition of the lipid fraction in the Frankfurters and saturated/unsaturated ratios were established for all batches. We found that total or partial replacement of beef fat by IVOs did not lead to significant changes in appearance, colour, texture, flavour or sensory score. We conclude that IVOs may be successfully applied as beef fat substitutes in Frankfurters.     

The organisational learning effects of management accounting information under advanced manufacturing technology

This study empirically examined the organisational learning effects of the nonfinancial performance information provided by management accounting information systems (MAISs) under advanced manufacturing technology (AMT). In this study, a target costing system and the frequent and quick reporting of information were considered the facilitators of learning. First, we examined the relationships between AMT level and the amount of nonfinancial performance information produced by MAISs. The empirical results showed that there are significant positive relationships between the level of AMT and nonfinancial performance information. With a systems approach, we also proved the impact of the relationships among AMT levels, nonfinancial performance information and learning facilitators on the organisational performance of a firm. The results of our research suggest that under a high level of AMT, for the provision of information to result in an increase of performance through organisational learning, a target costing system must be introduced and a large amount of information should be provided frequently and quickly. The results of this study also showed that although AMT level may be low, fairly well-arranged facilitators and a moderately large amount of information may be necessary for the improvement of performance. In conclusion, effective organisational learning depends on the provision of relevant information as well as efficient learning support mechanisms.     

Network topology and the theory of rubber elasticity

The earliest investigations on rubber elasticity, commencing in the 19th century, were necessarily limited to phenomenological interpretations. The realisation that polymers consist of very long molecular chains. commencing c. 1930, gave impetus to the molecular theory of rubber elasticity (1932-). according to which the high deformability of an elastomer, and the elastic force generated by deformation, stem from the configurations accessible to long molecular chains. Theories of rubber elasticity put forward from 1934-1946 relied on the assumption that the junctions of the rubber network undergo displacements that are affine in macroscopic strain. The theory of James and Guth (1947) dispensed with this premise, and demonstrated instead that the mean positions of the junctions of a ‘phantom’ network consisting of Gaussian chains devoid of material properties are affine in the strain. The vital significance of the distinction between the actual distribution of chain vectors in a network and their distribution if the junctions would be fixed at their mean positions went unnoticed for nearly 30 years. Experimental investigations, commencing with the incisive work of Gee in 1946. revealed large departures from the relationship of stress to strain predicted by the theories cited. This discrepancy prompted extensive studies, theoretical and experimental, during succeeding years. Inquiry into the fundamentals of polymer networks, formed for example by interlinking very long polymer molecules, exposed the need to take account of network imperfections, typically consisting of chains attached at only one end to a network junction. Various means were advocated to make corrections for these imperfections. The cycle rank ζ of the network has been shown (1976) to be the fundamental measure of its connectivity, regardless of the junction functionality and pattern of imperfections. Often overlooked is the copious interpenetration of the chains comprising typical elastomeric networks. Theories that attempt to represent such networks on a lattice are incompatible with this universal feature. Moreover, the dense interpenetration of chains may limit the ability of junctions in real networks to accommodate the fluctuations envisaged in the theory of phantom networks. It was suggested in 1975 that departures from the form predicted for the elastic equation of state are due to constraints on the fluctuations of junctions whose effect diminishes with deformation and with dilation. Formulation of a self-consistent theory based on this suggestion required recognition of the non-affine connection between the chain vector distribution function and the macroscopic strain in a real network, which may partake of characteristics of a phantom network in some degree. Implementation of the idea was achieved through postulation of domains of constraint affecting the equilibrium distribution of fluctuations of network junctions from their mean positions. This led in due course to a theory that accounts for the relationship of stress to strain virtually throughout the ranges of strain accessible to measurement. The theory establishes connections between structure and elastic properties. This is achieved with utmost frugality in arbitrary parameters.