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Acidic zeolites like H-Y, H-ZSM-5, H-MCM-22 and H-MOR zeolites were found to be the selective adsorbents for the removal of thiophene from toluene or n-heptane as solvent. The competitive adsorption of toluene is found to influence the adsorption capacity for thiophene and is more predominant when high-alumina zeolites are used as adsorbents. This behaviour is also reflected by the results of the adsorption of thiophene on H-ZSM-5 zeolites with varied nSi/nAl ratios (viz. 13, 19 and 36) from toluene and n-heptane as solvents, respectively. UV-Vis spectroscopic results show that the oligomerization of thiophene leads to the formation of dimers and trimers on these zeolites. The oligomerization in acid zeolites is regarded to be dependent on the geometry of the pore system of the zeolites. The sulphur-containing compounds with more than one ring viz. benzothiophene, which are also present in substantial amounts in certain hydrocarbon fractions, are not adsorbed on H-ZSM-5 zeolites. This is obvious, as the diameter of the pore aperture of zeolite H-ZSM-5 is smaller than the molecular size of benzothiophene. Metal ion-exchanged FAU-type zeolites are found to be promising adsorbents for the removal of sulphur-containing compounds from model solutions. The introduction of Cu+-, Ni2+-, Ce3+-, La3+- and Y3+- ions into zeolite Na+-Y by aqueous ion-exchange substantially improves the adsorption capacity for thiophene from toluene or n-heptane as solvent. More than the absolute content of Cu+-ions, the presence of Cu+-ions at the sites exposed to supercages is believed to influence the adsorption of thiophene on Cu+-Y zeolite. It was shown experimentally for the case of Cu+-Y and Ce3+-Y that the supercages present in the FAU zeolite allow for an access of bulkier sulphur-containing compounds (viz. benzothiophene, dibenzothiophene and dimethyl dibenzothiophene). The presence of these bulkier compounds compete with thiophene and are preferentially adsorbed on Cu+-Y zeolite. IR spectroscopic results revealed that the adsorption of thiophene on Na+-Y, Cu+-Y and Ni2+-Y is primarily a result of the interaction of thiophene via pi-complexation between C=C double bond (of thiophene) and metal ions (in the zeolite framework). A different mode of interaction of thiophene with Ce3+-, La3+- and Y3+-metal ions was observed in the IR spectra of thiophene adsorbed on Ce3+-Y, La3+-Y and Y3+-Y zeolites, respectively. On these adsorbents, thiophene is believed to interact via a lone electron pair of the sulphur atom with metal ions present in the adsorbent (M-S interaction). The experimental results show that there is a large difference in the thiophene adsorption capacities of pi-complexation adsorbents (like Cu+-Y, Ni2+-Y) between the model solution with toluene as solvent and the model solution with n-heptane as solvent. The lower capacity of these zeolites for the adsorption of thiophene from toluene than from n-heptane as solvent is the clear indication of competition of toluene in interating with adsorbent in a way similar to thiophene. The difference in thiophene adsorption capacities is very low in the case of adsorbents Ce3+-Y, La3+-Y and Y3+-Y, which are believed to interact with thiophene predominantly by direct M3+-S bond (thiophene interacting with metal ion via a lone pair of electrons). TG-DTA analysis was used to study the regeneration behaviour of the adsorbents. Acid zeolites can be regenerated by simply heating at 400 °C in a flow of nitrogen whereas thiophene is chemically adsorbed on the metal ion. By contrast, it is not possible to regenerate by heating under idle inert gas flow. The only way to regenerate these adsorbents is to burn off the adsorbate, which eventually brings about an undesired emission of SOx. The exothermic peaks appeared at different temperatures in the heat flow profiles of Cu+-Y, Ce3+-Y, La3+-Y and Y3+-Y are also indicating that two different types of interaction are present as revealed by IR spectroscopy, too. One major difficulty in reducing the sulphur content in fuels to value below 10 ppm is the inability in removing alkyl dibenzothiophenes, viz. 4,6 dimethyl dibenzothiophene, by the existing catalytic hydrodesulphurization technique. Cu+-Y and Ce3+-Y were found in the present study to adsorb this compound from toluene to a certain extent. To meet the stringent regulations on sulphur content, selective adsorption by zeolites could be a valuable post-purification method after the catalytic hydrodesulphurization unit.
Determination of interaction between MCT1 and CAII via a mathematical and physiological approach
(2008)
The enzyme carbonic anhydrase isoform II (CAII), catalysing the hydration and dehydration of CO2, enhances transport activity of the monocarboxylate transporter isoform I (MCT1, SLC16A1) expressed in Xenopus oocytes by a mechanism that does not require CAII catalytic activity (Becker et al. (2005) J. Biol. Chem., 280). In the present study, we have investigated the mechanism of the CAII induced increase in transport activity by using electrophysiological techniques and a mathematical model of the MCT1 transport cycle. The model consists of six states arranged in cyclic fashion and features an ordered, mirror-symmetric, binding mechanism were binding and unbinding of the proton to the transport protein is considered to be the rate limiting step under physiological conditions. An explicit rate expression for the substrate °ux is derived using model reduction techniques. By treating the pools of intra- and extracellular MCT1 substrates as dynamic states, the time dependent kinetics are obtained by integration using the derived expression for the substrate °ux. The simulations were compared with experimental data obtained from MCT1-expressing oocytes injected with di®erent amounts of CAII. The model suggests that CAII increases the e®ective rate constants of the proton reactions, possibly by working as a proton antenna.
Finding a delivery plan for cancer radiation treatment using multileaf collimators operating in ''step-and-shoot mode'' can be formulated mathematically as a problem of decomposing an integer matrix into a weighted sum of binary matrices having the consecutive-ones property - and sometimes other properties related to the collimator technology. The efficiency of the delivery plan is measured by both the sum of weights in the decomposition, known as the total beam-on time, and the number of different binary matrices appearing in it, referred to as the cardinality, the latter being closely related to the set-up time of the treatment. In practice, the total beam-on time is usually restricted to its minimum possible value, (which is easy to find), and a decomposition that minimises cardinality (subject to this restriction) is sought.
This thesis covers two important fields in financial mathematics, namely the continuous time portfolio optimisation and credit risk modelling. We analyse optimisation problems of portfolios of Call and Put options on the stock and/or the zero coupon bond issued by a firm with default risk. We use the martingale approach for dynamic optimisation problems. Our findings show that the riskier the option gets, the less proportion of his wealth the investor allocates to the risky asset. Further, we analyse the Credit Default Swap (CDS) market quotes on the Eurobonds issued by Turkish sovereign for building the term structure of the sovereign credit risk. Two methods are introduced and compared for bootstrapping the risk-neutral probabilities of default (PD) in an intensity based (or reduced form) credit risk modelling approach. We compare the market-implied PDs with the actual PDs reported by credit rating agencies based on historical experience. Our results highlight the market price of the sovereign credit risk depending on the assigned rating category in the sampling period. Finally, we find an optimal leverage strategy for delivering the payments promised by a Constant Proportion Debt Obligation (CPDO). The problem is solved via the introduction and explicit solution of a stochastic control problem by transforming the related Hamilton-Jacobi-Bellman Equation into its dual. Contrary to the industry practise, the optimal leverage function we derive is a non-linear function of the CPDO asset value. The simulations show promising behaviour of the optimal leverage function compared with the one popular among practitioners.
We propose a constraint-based approach for the two-dimensional rectangular packing problem with orthogonal orientations. This problem is to arrange a set of rectangles that can be rotated by 90 degrees into a rectangle of minimal size such that no two rectangles overlap. It arises in the placement of electronic devices during the layout of 2.5D System-in-Package integrated electronic systems. Moffitt et al. [8] solve the packing without orientations with a branch and bound approach and use constraint propagation. We generalize their propagation techniques to allow orientations. Our approach is compared to a mixed-integer program and we provide results that outperform it.
This paper provides a brief overview of two linear inverse problems concerned with the determination of the Earth’s interior: inverse gravimetry and normal mode tomography. Moreover, a vector spline method is proposed for a combined solution of both problems. This method uses localised basis functions, which are based on reproducing kernels, and is related to approaches which have been successfully applied to the inverse gravimetric problem and the seismic traveltime tomography separately.
In this paper we develop a network location model that combines the characteristics of ordered median and gradual cover models resulting in the Ordered Gradual Covering Location Problem (OGCLP). The Gradual Cover Location Problem (GCLP) was specifically designed to extend the basic cover objective to capture sensitivity with respect to absolute travel distance. Ordered Median Location problems are a generalization of most of the classical locations problems like p-median or p-center problems. They can be modeled by using so-called ordered median functions. These functions multiply a weight to the cost of fulfilling the demand of a customer which depends on the position of that cost relative to the costs of fulfilling the demand of the other customers. We derive Finite Dominating Sets (FDS) for the one facility case of the OGCLP. Moreover, we present efficient algorithms for determining the FDS and also discuss the conditional case where a certain number of facilities are already assumed to exist and one new facility is to be added. For the multi-facility case we are able to identify a finite set of potential facility locations a priori, which essentially converts the network location model into its discrete counterpart. For the multi-facility discrete OGCLP we discuss several Integer Programming formulations and give computational results.
Computer-based simulation and visualization of acoustics of a virtual scene can aid during the design process of concert halls, lecture rooms, theaters, or living rooms. Because, not only the visual aspect of the room is important, but also its acoustics. In factory floors noise reduction is important since noise is hazardous to health. Despite the obvious dissimilarity between our aural and visual senses, many techniques required for the visualization of photo-realistic images and for the auralization of acoustic environments are quite similar. Both applications can be served by geometric methods such as particle- and ray tracing if we neglect a number of less important effects. By means of the simulation of room acoustics we want to predict the acoustic properties of a virtual model. For auralization, a pulse response filter needs to be assembled for each pair of source and listener positions. The convolution of this filter with an anechoic source signal provides the signal received at the listener position. Hence, the pulse response filter must contain all reverberations (echos) of a unit pulse, including their frequency decompositions due to absorption at different surface materials. For the room acoustic simulation a method named phonon tracing, since it is based on particles, is developed. The approach computes the energy or pressure decomposition for each particle (phonon) sent out from a sound source and uses this in a second pass (phonon collection) to construct the response filters for different listeners. This step can be performed in different precision levels. During the tracing step particle paths and additional information are stored in a so called phonon map. Using this map several sound visualization approaches were developed. From the visualization, the effect of different materials on the spectral energy / pressure distribution can be observed. The first few reflections already show whether certain frequency bands are rapidly absorbed. The absorbing materials can be identified and replaced in the virtual model, improving the overall acoustic quality of the simulated room. Furthermore an insight into the pressure / energy received at the listener position is possible. The phonon tracing algorithm as well as several sound visualization approaches are integrated into a common system utilizing Virtual Reality technologies in order to facilitate the immersion into the virtual scene. The system is a prototype developed within a project at the University of Kaiserslautern and is still a subject of further improvements. It consists of a stereoscopic back-projection system for visual rendering as well as professional audio equipment for auralization purposes.
We develop a framework for analyzing an executive’s own-company stockholding and work effort preferences. The executive, characterized by risk aversion and work effectiveness parameters, invests his personal wealth without constraint in the financial market, including the stock of his own company whose value he can directly influence with work effort. The executive’s utility-maximizing personal investment and work effort strategy is derived in closed-form, and an indifference utility rationale is demonstrated to determine his required compensation. Our results have implications for the practical and theoretical assessment of executive quality and the benefits of performance contracting. Assuming knowledge of the company’s non-systematic risk, our executive’s unconstrained own-company investment identifies his work effectiveness (i.e. quality), and also reflects work effort that establishes a base-level that performance contracting should seek to exceed.
Sublimation (Evaporation) is widely used in different industrial applications. The important applications are the sublimation (evaporation) of small particles (solid and liquid), e.g., spray drying and fuel droplet evaporation. Since a few decades, sublimation technology has been used widely together with aerosol technology. This combination is aiming to get various products with desired compositions and morphologies. It can be used in the fields of nanoparticles generation, particle coating through physical vapor deposition (PVD) and particle structuring. This doctoral thesis deals with the experimental and theoretical investigations of sublimation (evaporation) kinetics of fine aerosol particles (droplets). The experimental study was conducted in a test plant including on-line control of the most important paramters, such as heating temperature, gas flow and pressure. On-line and in-line particle measurements (Optical sensor, APS) were employed. Relevant parameters in sublimation (evaporation) such as heating temperature, particle concentration and aerosol residence time were investigated. Polydispersed particles (droplets) were introduced into the test plant as precursor aerosols. Two kinds of materials were used as test materials, including inorganic particles of NH4Cl and organic particles of DEHS. NH4Cl particles with smooth surface and porous structure were put into the experiments, respectively. The influence of the particle morphology on the sublimation process was studied. Basing on the experiments, different theoretical models were developed. The simulation results under different parameters were compared with experimental results. The change of concentration of particles was specially discussed. The discussion was focused on the relationship of the total particle concentration and the change of single particles with diverse initial diameters. The study of the sublimation kinetics of particles with different morphologies and different specific surface areas was carried out. The factor of increased surface area on the sublimation process was taken into the simulation and the results were compared with experimental results. A sublimation (evaporation) kinetics was investigated in this thesis. Basing on the property of a material, such as molecular weight, molecular size and vapor pressure, the sublimation (evaporation) kinetics was described. The optimum sublimation (evaporation) conditions with respect to the material properties were advanced. A Phase Transition Effect during the sublimation (evaporation) was found, which describes the increase of the large particles on the cost of small particles. A similar effect is observed in crystal suspension (called Ostwald ripening) but with another physical background. In order to meet the need of in-line particle measurement, a hot gas sensor (O.P.C.) was developed in this study, for measuring the particle size and the size distribution of an aerosol. With the newly developed measuring cell, the operating conditions of the aerosol could be increased up to 500°C.