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  • 2005-2009  (51)
  • 1990-1994  (4,779)
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  • 1
    facet.materialart.
    Unknown
    Publication Date: 2019-10-24
    Keywords: ddc:000
    Language: German
    Type: annualzib , doc-type:report
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  • 2
    Publication Date: 2014-02-26
    Description: We propose a variant of the control reduced interior point method for the solution of state constrained problems. We show convergence of the corresponding interior point pathfollowing algorithm in function space. Morever, we provide error bounds for the iterates.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 3
    Publication Date: 2014-02-26
    Description: This paper aims at presenting the complex coupled network of the human menstrual cycle to the interested community. Beyond the presently popular smaller models, where important network components arise only as extremely simplified source terms, we add: the GnRH pulse generator in the hypothalamus, receptor binding, and the biosynthesis in the ovaries. Simulation and parameter identification are left to a forthcoming paper.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 4
    Publication Date: 2014-02-26
    Description: This work explores two applications of a classical result on the continuity of Nemyckii operators to optimal control with PDEs. First, we present an alternative approach to the analysis of Newton's method for function space problems involving semi-smooth Nemyckii operators. A concise proof for superlinear convergence is presented, and sharpened bounds on the rate of convergence are derived. Second, we derive second order sufficient conditions for problems, where the underlying PDE has poor regularity properties. We point out that the analytical structure in both topics is essentially the same.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 5
    Publication Date: 2014-02-26
    Description: In this paper, we study the efficiency of Nash equilibria for a sequence of nonatomic routing games. We assume that the games are played consecutively in time in an online fashion: by the time of playing game $i$, future games $i+1,\dots,n$ are not known, and, once players of game $i$ are in equilibrium, their corresponding strategies and costs remain fixed. Given a sequence of games, the cost for the sequence of Nash equilibria is defined as the sum of the cost of each game. We analyze the efficiency of a sequence of Nash equilibria in terms of competitive analysis arising in the online optimization field. Our main result states that the online algorithm $\sl {SeqNash}$ consisting of the sequence of Nash equilibria is $\frac{4n}{2+n}$-competitive for affine linear latency functions. For $n=1$, this result contains the bound on the price of anarchy of $\frac{4}{3}$ for affine linear latency functions of Roughgarden and Tardos [2002] as a special case. Furthermore, we analyze a problem variant with a modified cost function that reflects the total congestion cost, when all games have been played. In this case, we prove an upper bound of $\frac{4n}{2+n}$ on the competitive ratio of $\sl {SeqNash}$. We further prove a lower bound of $\frac{3n-2}{n}$ of $\sl {SeqNash}$ showing that for $n=2$ our upper bound is tight.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 6
    Publication Date: 2016-06-09
    Description: To approximate convolutions which occur in evolution equations with memory terms, a variable-stepsize algorithm is presented for which advancing $N$ steps requires only $O(N\log N)$ operations and $O(\log N)$ active memory, in place of $O(N^2)$ operations and $O(N)$ memory for a direct implementation. A basic feature of the fast algorithm is the reduction, via contour integral representations, to differential equations which are solved numerically with adaptive step sizes. Rather than the kernel itself, its Laplace transform is used in the algorithm. The algorithm is illustrated on three examples: a blow-up example originating from a Schrödinger equation with concentrated nonlinearity, chemical reactions with inhibited diffusion, and viscoelasticity with a fractional order constitutive law.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 7
    Publication Date: 2020-11-13
    Description: This paper deals with MIP-based primal heuristics to be used within a branch-and-cut approach for solving multi-layer telecommunication network design problems. Based on a mixed-integer programming formulation for two network layers, we present three heuristics for solving important subproblems, two of which solve a sub-MIP. On multi-layer planning instances with many parallel logical links, we show the effectiveness of our heuristics in finding good solutions early in the branch-and-cut search tree.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 8
    Publication Date: 2019-05-10
    Description: The dynamics of ventricular fibrillation caused by irregular excitation is simulated in the frame of the monodomain model with an action potential model due to Aliev-Panfilov for a human 3D geometry. The numerical solution of this multiscale reaction-diffusion problem is attacked by algorithms which are fully adaptive in both space and time (code library {\sc Kardos}). The obtained results clearly demonstrate an accurate resolution of the cardiac potential during the excitation and the plateau phases (in the regular cycle) as well as after a reentrant excitation (in the irregular cycle).
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 9
    Publication Date: 2020-12-15
    Description: The topic of this paper are integer programming models in which a subset of 0/1-variables encode a partitioning of a set of objects into disjoint subsets. Such models can be surprisingly hard to solve by branch-and-cut algorithms if the permutation of the subsets of the partition is irrelevant. This kind of symmetry unnecessarily blows up the branch-and-cut tree. We present a general tool, called orbitopal fixing, for enhancing the capabilities of branch-and-cut algorithms in solving this kind of symmetric integer programming models. We devise a linear time algorithm that, applied at each node of the branch-and-cut tree, removes redundant parts of the tree produced by the above mentioned permutations. The method relies on certain polyhedra, called orbitopes, which have been investigated in (Kaibel and Pfetsch (2006)). However, it does not add inequalities to the model, and thus, it does not increase the difficulty of solving the linear programming relaxations. We demonstrate the computational power of orbitopal fixing at the example of a graph partitioning problem motivated from frequency planning in mobile telecommunication networks.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 10
    Publication Date: 2014-11-10
    Description: In this paper, we discuss the relation of unsplittable shortest path routing (USPR) to other routing schemes and study the approximability of three USPR network planning problems. Given a digraph $D=(V,A)$ and a set $K$ of directed commodities, an USPR is a set of flow paths $\Phi_{(s,t)}$, $(s,t)\in K$, such that there exists a metric $\lambda=(\lambda_a)\in \mathbb{Z}^A_+$ with respect to which each $\Phi_{(s,t)}$ is the unique shortest $(s,t)$-path. In the \textsc{Min-Con-USPR} problem, we seek for an USPR that minimizes the maximum congestion over all arcs. We show that this problem is hard to approximate within a factor of $\mathcal{O}(|V|^{1-\epsilon})$, but easily approximable within min$(|A|,|K|)$ in general and within $\mathcal{O}(1)$ if the underlying graph is an undirected cycle or a bidirected ring. We also construct examples where the minimum congestion that can be obtained by USPR is a factor of $\Omega(|V|^2)$ larger than that achievable by unsplittable flow routing or by shortest multi-path routing, and a factor of $\Omega(|V|)$ larger than by unsplittable source-invariant routing. In the CAP-USPR problem, we seek for a minimum cost installation of integer arc capacities that admit an USPR of the given commodities. We prove that this problem is $\mathcal{NP}$-hard to approximate within $2-\epsilon$ (even in the undirected case), and we devise approximation algorithms for various special cases. The fixed charge network design problem \textsc{Cap-USPR}, where the task is to find a minimum cost subgraph of $D$ whose fixed arc capacities admit an USPR of the commodities, is shown to be $\mathcal{NPO}$-complete. All three problems are of great practical interest in the planning of telecommunication networks that are based on shortest path routing protocols. Our results indicate that they are harder than the corresponding unsplittable flow or shortest multi-path routing problems.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 11
    Publication Date: 2014-11-11
    Description: In this paper, we investigate the connection availabilities for the new protection scheme Demand-wise Shared Protection (DSP) and describe an appropriate approach for their computation. The exemplary case study on two realistic network scenarios shows that in most cases the availabilities for DSP are comparable with that for 1+1 path protection and better than in case of shared path protection.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 12
    Publication Date: 2016-06-30
    Description: THESEUS, the ZIB threading environment, is a parallel implementation of a protein threading based on a multi-queued branch-and-bound optimal search algorithm to find the best sequence-to-structure alignment through a library of template structures. THESEUS uses a template core model based on secondary structure definition and a scoring function based on knowledge-based potentials reflecting pairwise interactions and the chemical environment, as well as pseudo energies for homology detection, loop alignment, and secondary structure matching. The threading core is implemented in C++ as a SPMD parallization architecture using MPI for communication. The environment is designed for generic testing of different scoring functions, e.g. different secondary structure prediction terms, different scoring matrices and information derived from multiple sequence alignments. A validaton of the structure prediction results has been done on the basis of standard threading benchmark sets. THESEUS successfully participated in the 6th Critical Assessment of Techniques for Protein Structure Prediction (CASP) 2004.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 13
    Publication Date: 2014-02-26
    Description: We consider a multi-queue multi-server system with $n$ servers (processors) and $m$ queues. At the system there arrives a stationary and ergodic stream of $m$ different types of requests with service requirements which are served according to the following $k$-limited head of the line processor sharing discipline: The first $k$ requests at the head of the $m$ queues are served in processor sharing by the $n$ processors, where each request may receive at most the capacity of one processor. By means of sample path analysis and Loynes' monotonicity method, a stationary and ergodic state process is constructed, and a necessary as well as a sufficient condition for the stability of the $m$ separate queues are given, which are tight within the class of all stationary ergodic inputs. These conditions lead to tight necessary and sufficient conditions for the whole system, also in case of permanent customers, generalizing an earlier result by the authors for the case of $n$=$k$=1.
    Keywords: ddc:000
    Language: English
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  • 14
    Publication Date: 2014-02-26
    Description: In order to compute the thermodynamic weights of the different metastable conformations of a molecule, we want to approximate the molecule's Boltzmann distribution in a reasonable time. This is an essential issue in computational drug design. The energy landscape of active biomolecules is generally very rough with a lot of high barriers and low regions. Many of the algorithms that perform such samplings (e.g. the hybrid Monte Carlo method) have difficulties with such landscapes. They are trapped in low-energy regions for a very long time and cannot overcome high barriers. Moving from one low-energy region to another is a very rare event. For these reasons, the distribution of the generated sampling points converges very slowly against the thermodynamically correct distribution of the molecule. The idea of ConfJump is to use $a~priori$ knowledge of the localization of low-energy regions to enhance the sampling with artificial jumps between these low-energy regions. The artificial jumps are combined with the hybrid Monte Carlo method. This allows the computation of some dynamical properties of the molecule. In ConfJump, the detailed balance condition is satisfied and the mathematically correct molecular distribution is sampled.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 15
    Publication Date: 2020-02-11
    Description: "`Volkssport Sudoku"' titelt der Stern in seiner Ausgabe vom 24. Mai2006. In der Tat traut sich derzeit kaum noch eine Zeitung, ohne Sudoku zu erscheinen. Die Begeisterung am Lösen dieser Zahlenrätsel offenbart eine unvermutete Freude am algorithmischen Arbeiten. Mathematisch kann man Sudokus als lineare diophantische Gleichungssysteme mit Nichtnegativitätsbedingungen formulieren. Solche ganzzahligen linearen Programme sind die wichtigsten Modellierungswerkzeuge in zahlreichen Anwendungsgebieten wie z.B. der Optimierung von Telekommunikations- und Verkehrsnetzen. Moderne Verfahren zur Lösung dieser Optimierungsprobleme sind durch Sudokus allerdings deutlich weniger zu beeindrucken als Zeitungsleser.
    Keywords: ddc:000
    Language: German
    Type: reportzib , doc-type:preprint
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  • 16
    Publication Date: 2020-02-11
    Description: This article surveys mathematical models and methods used for physical PCB layout, i.e., component placement and wire routing. The main concepts are briefly described together with relevant references.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 17
    Publication Date: 2020-12-15
    Description: We study online multicommodity minimum cost routing problems in networks, where commodities have to be routed sequentially. Arcs are equipped with load dependent price functions defining the routing weights. We discuss an online algorithm that routes each commodity by minimizing a convex cost function that depends on the demands that are previously routed. We present a competitive analysis of this algorithm showing that for affine linear price functions this algorithm is $4K/2+K$-competitive, where $K$ is the number of commodities. For the parallel arc case this algorithm is optimal. Without restrictions on the price functions and network, no algorithm is competitive. Finally, we investigate a variant in which the demands have to be routed unsplittably.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 18
    Publication Date: 2021-03-16
    Description: Perfect graphs constitute a well-studied graph class with a rich structure, reflected by many characterizations w.r.t different concepts. Perfect graphs are, e.g., characterized as precisely those graphs $G$ where the stable set polytope STAB$(G)$ coincides with the clique constraint stable set polytope QSTAB$(G)$. For all imperfect graphs STAB$(G) \subset$ QSTAB$(G)$ holds and, therefore, it is natural to measure imperfection in terms of the difference between STAB$(G)$ and QSTAB$(G)$. Several concepts have been developed in this direction, for instance the dilation ratio of STAB$(G)$ and QSTAB$(G)$ which is equivalent to the imperfection ratio imp$(G)$ of $G$. To determine imp$(G)$, both knowledge on the facets of STAB$(G)$ and the extreme points of QSTAB$(G)$ is required. The anti-blocking theory of polyhedra yields all {\em dominating} extreme points of QSTAB$(G)$, provided a complete description of the facets of STAB$(\overline G)$ is known. As this is typically not the case, we extend the result on anti-blocking polyhedra to a {\em complete} characterization of the extreme points of QSTAB$(G)$ by establishing a 1-1 correspondence to the facet-defining subgraphs of $\overline G$. We discuss several consequences, in particular, we give alternative proofs of several famous results.
    Keywords: ddc:000
    Language: English
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  • 19
    Publication Date: 2014-11-10
    Description: We give experimental and theoretical results on the problem of computing the treewidth of a graph by exact exponential time algorithms using exponential space or using only polynomial space. We first report on an implementation of a dynamic programming algorithm for computing the treewidth of a graph with running time $O^\ast(2^n)$. This algorithm is based on the old dynamic programming method introduced by Held and Karp for the {\sc Tra veling Salesman} problem. We use some optimizations that do not affect the worst case running time but improve on the running time on actual instances and can be seen to be practical for small instances. However, our experiments show that the space use d by the algorithm is an important factor to what input sizes the algorithm is effective. For this purpose, we settle the problem of computing treewidth under the restriction that the space used is only polynomial. In this direction we give a simple $O^\ast(4^n)$ al gorithm that requires {\em polynomial} space. We also show that with a more complicated algorithm, using balanced separators, {\sc Treewidth} can be computed in $O^\ast(2.9512^n)$ time and polynomial space.
    Keywords: ddc:000
    Language: English
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  • 20
    Publication Date: 2014-03-10
    Description: The dynamic behavior of molecules can often be described by Markov processes. From computational molecular simulations one can derive transition rates or transition probabilities between subsets of the discretized conformational space. On the basis of this dynamic information, the spatial subsets are combined into a small number of so-called metastable molecular conformations. This is done by clustering methods like the Robust Perron Cluster Analysis (PCCA+). Up to now it is an open question how this coarse graining in space can be transformed to a coarse graining of the Markov chain while preserving the essential dynamic information. In the following article we aim at a consistent coarse graining of transition probabilities or rates on the basis of metastable conformations such that important physical and mathematical relations are preserved. This approach is new because PCCA+ computes molecular conformations as linear combinations of the dominant eigenvectors of the transition matrix which does not hold for other clustering methods.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 21
    Publication Date: 2014-02-26
    Description: Das deutschsprachige Bibliothekswesen verfügt mit den \glqq Regeln für den Schlagwortkatalog \grqq (RSWK) unter Verwendung der \glqq Schlagwortnormdatei \grqq (SWD) über ein Instrumentarium, welches zusammen mit einem \glqq Faceted Browsing \grqq das bisher bestehende Angebot für ein Information Retrieval optimal ergänzen kann. Die Verbindung zwischen Standardvokabular (SWD) und Kettenbildung (RSWK) einerseits und eine nach Facetten-Eigenschaften gegliederte Navigation andererseits unterstützt bestmöglich eine inhaltlich bezogene Recherche. Die Stärken und Schwächen der RSWK/SWD werden erörtert und auch Klassifikationen (DDC und RVK) als mögliche Facetten diskutiert.
    Keywords: ddc:000
    Language: German
    Type: reportzib , doc-type:preprint
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  • 22
    Publication Date: 2016-06-09
    Keywords: ddc:000
    Language: English
    Type: masterthesis , doc-type:masterThesis
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  • 23
    Publication Date: 2022-03-14
    Description: A lot of problems arising in Combinatorial Optimization and Operations Research can be formulated as Mixed Integer Programs (MIP). Although MIP-solving is an NP-hard optimization problem, many practically relevant instances can be solved in reasonable time. In modern MIP-solvers like the branch-cut-and-price-framework SCIP, primal heuristics play a major role in finding and improving feasible solutions at the early steps of the solution process. This helps to reduce the overall computational effort, guides the remaining search process, and proves the feasibility of the MIP model. Furthermore, a heuristic solution with a small gap to optimality often is sufficient in practice. We investigate 16 different heuristics, all of which are available in SCIP. Four of them arise from the literature of the last decade, nine are specific implementations of general heuristic ideas, three have been newly developed. We present an improved version of the feasibility pump heuristic by Fischetti et al., which in experiments produced solutions with only a third of the optimality gap compared to the original version. Furthermore, we introduce two new Large Neighborhood Search (LNS) heuristics. Crossover is an LNS improvement heuristic making use of similarities of diverse MIP solutions to generate new incumbent solutions. RENS is an LNS rounding heuristic which evaluates the space of all possible roundings of a fractional LP-solution. This heuristic makes it possible to determine whether a point can be rounded to an integer solution and which is the best possible rounding. We conclude with a computational comparison of all described heuristics. It points out that a single heuristic on its own has only a slight impact on the overall performance of SCIP, but the combination of all of them reduces the running time by a factor of two compared to a version without any heuristics.
    Keywords: ddc:000
    Language: English
    Type: masterthesis , doc-type:masterThesis
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  • 24
    Publication Date: 2014-02-26
    Description: We present a finite volume method for the solution of the two-dimensional Poisson equation $ \nabla\cdot( \beta( {\mbox{\boldmath $x$}}) \nabla u({\mbox{\boldmath $x$}})) = f(\mbox{\boldmath $x$}) $ with variable, discontinuous coefficients and solution discontinuities on irregular domains. The method uses bilinear ansatz functions on Cartesian grids for the solution $u({\mbox{\boldmath $x$})$ resulting in a compact nine-point stencil. The resulting linear problem has been solved with a standard multigrid solver. Singularities associated with vanishing partial volumes of intersected grid cells or the dual bilinear ansatz itself are removed by a two-step asymptotic approach. The method achieves second order of accuracy in the $L^\infty$ and $L^2$ norm.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 25
    Publication Date: 2014-11-11
    Description: In this article we aim at an efficient sampling of the stationary distribution of dynamical systems in the presence of metastabilities. In the past decade many sophisticated algorithms have been inven ted in this field. We do not want to simply add a further one. We address the problem that one has applied a sampling algorithm for a dynamical system many times. This leads to different samplings which more or less represent the stationary distribution partially very well, but which are still far away from ergodicity or from the global stationary distribution. We will show how these samplings can be joined together in order to get one global sampling of the stationary distribution.
    Keywords: ddc:000
    Language: English
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  • 26
    Publication Date: 2014-02-26
    Description: The concept of jump system, introduced by Buchet and Cunningham (1995), is a set of integer points with a certain exchange property. In this paper, we discuss several linear and convex optimization problems on jump systems and show that these problems can be solved in polynomial time under the assumption that a membership oracle for a jump system is available. We firstly present a polynomial-time implementation of the greedy algorithm for the minimization of a linear function. We then consider the minimization of a separable-convex function on a jump system, and propose the first polynomial-time algorithm for this problem. The algorithm is based on the domain reduction approach developed in Shioura (1998). We finally consider the concept of M-convex functions on constant-parity jump systems which has been recently proposed by Murota (2006). It is shown that the minimization of an M-convex function can be solved in polynomial time by the domain reduction approach.
    Keywords: ddc:000
    Language: English
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  • 27
    Publication Date: 2020-12-15
    Description: We introduce orbitopes as the convex hulls of 0/1-matrices that are lexicographically maximal subject to a group acting on the columns. Special cases are packing and partitioning orbitopes, which arise from restrictions to matrices with at most or exactly one 1-entry in each row, respectively. The goal of investigating these polytopes is to gain insight into ways of breaking certain symmetries in integer programs by adding constraints, e.g., for a well-known formulation of the graph coloring problem. We provide a thorough polyhedral investigation of packing and partitioning orbitopes for the cases in which the group acting on the columns is the cyclic group or the symmetric group. Our main results are complete linear inequality descriptions of these polytopes by facet-defining inequalities. For the cyclic group case, the descriptions turn out to be totally unimodular, while for the symmetric group case, both the description and the proof are more involved. The associated separation problems can be solved in linear time.
    Keywords: ddc:000
    Language: English
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  • 28
    Publication Date: 2014-11-21
    Description: The standard computational methods for computing the optimal value functions of Markov Decision Problems (MDP) require the exploration of the entire state space. This is practically infeasible for applications with huge numbers of states as they arise, e.\,g., from modeling the decisions in online optimization problems by MDPs. Exploiting column generation techniques, we propose and apply an LP-based method to determine an $\varepsilon$-approximation of the optimal value function at a given state by inspecting only states in a small neighborhood. In the context of online optimization problems, we use these methods in order to evaluate the quality of concrete policies with respect to given initial states. Moreover, the tools can also be used to obtain evidence of the impact of single decisions. This way, they can be utilized in the design of policies.
    Keywords: ddc:000
    Language: English
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  • 29
    Publication Date: 2014-11-21
    Description: Wir beschäftigen uns mit dem Problem der Betriebsplanung von Laserschweißrobotern im Karosseriebau. Gegeben ist eine Menge von Schweißnähten, die innerhalb einer Fertigungszelle an einem Karosserieteil gefertigt werden müssen. Die Schweißnähte werden durch mehrere parallel betriebene Roboter bearbeitet. Die Aufgabe besteht darin, für jeden Roboter eine Reihenfolge und eine zeitliche Koordinierung seiner Bewegungen zu finden, so dass alle Schweißnähte innerhalb der Taktzeit der Fertigungszelle bearbeitet werden und so wenig Laserquellen wie möglich eingesetzt werden. Dabei müssen einige Nebenbedingungen berücksichtigt werden. Für dieses spezielle Schweißproblem haben wir eine Formulierung als gemischt-ganzzahliges lineares Programm entwickelt, welches sich für die untersuchten praktischen Fälle sehr schnell lösen lässt.
    Keywords: ddc:000
    Language: German
    Type: reportzib , doc-type:preprint
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  • 30
    Publication Date: 2021-08-05
    Description: Modern applications of mathematical programming must take into account a multitude of technical details, business demands, and legal requirements. Teaching the mathematical modeling of such issues and their interrelations requires real-world examples that are well beyond the toy sizes that can be tackled with the student editions of most commercial software packages. We present a new tool, which is freely available for academic use including complete source code. It consists of an algebraic modeling language and a linear mixed integer programming solver. The performance and features of the tool are in the range of current state-of-the-art commercial tools, though not in all aspects as good as the best ones. Our tool does allow the execution and analysis of large real-world instances in the classroom and can therefore enhance the teaching of problem solving issues. Teaching experience has been gathered and practical usability was tested in classes at several universities and a two week intensive block course at TU Berlin. The feedback from students and teachers has been very positive.
    Keywords: ddc:000
    Language: English
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  • 31
    Publication Date: 2014-11-21
    Description: The Bottleneck Shortest Path Problem is a basic problem in network optimization. The goal is to determine the limiting capacity of any path between two specified vertices of the network. This is equivalent to determining the unsplittable maximum flow between the two vertices. In this note we analyze the complexity of the problem, its relation to the Shortest Path Problem, and the impact of the underlying machine/computation model.
    Keywords: ddc:000
    Language: English
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  • 32
    Publication Date: 2014-02-26
    Description: We introduce a new and rich class of graph coloring manifolds via the Hom complex construction of Lov\´{a}sz. The class comprises examples of Stiefel manifolds, series of spheres and products of spheres, cubical surfaces, as well as examples of Seifert manifolds. Asymptotically, graph coloring manifolds provide examples of highly connected, highly symmetric manifolds.
    Keywords: ddc:000
    Language: English
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  • 33
    Publication Date: 2014-02-26
    Description: We give coordinate-minimal geometric realizations in general position for 17 of the 20 vertex-minimal triangulations of the orientable surface of genus 3 in the 5x5x5-cube.
    Keywords: ddc:000
    Language: English
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  • 34
    Publication Date: 2014-02-26
    Description: Biochemical interactions are determined by the 3D-structure of the involved components - thus the identification of conformations is a key for many applications in rational drug design. {\sf ConFlow} is a new multilevel approach to conformational analysis with main focus on completeness in investigation of conformational space. In contrast to known conformational analysis, the starting point for design is a space-based description of conformational areas. A tight integration of sampling and analysis leads to an identification of conformational areas simultaneously during sampling. An incremental decomposition of high-dimensional conformational space is used to guide the analysis. A new concept for the description of conformations and their path connected components based on convex hulls and {\em Hypercubes}is developed. The first results of the {\sf ConFlow} application constitute a 'proof of concept' and are further more highly encouraging. In comparison to conventional industrial applications, {\sf ConFlow} achieves higher accuracy and a specified degree of completeness with comparable effort.
    Keywords: ddc:000
    Language: English
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  • 35
    Publication Date: 2014-02-26
    Description: We consider linear inverse problems where the solution is assumed to fulfill some general homogeneous convex constraint. We develop an algorithm that amounts to a projected Landweber iteration and that provides and iterative approach to the solution of this inverse problem. For relatively moderate assumptions on the constraint we can always prove weak convergence of the iterative scheme. In certain cases, i.e. for special families of convex constraints, weak convergence implies norm convergence. The presented approach covers a wide range of problems, e.g. Besov- or BV-restoration for which we present also numerical experiments in the context of image processing.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 36
    Publication Date: 2014-03-10
    Description: Whenever the invariant stationary density of metastable dynamical systems decomposes into almost invariant partial densities, its computation as eigenvector of some transition probability matrix is an ill-conditioned problem. In order to avoid this computational difficulty, we suggest to apply an aggregation/disaggregation method which only addresses wellconditioned sub-problems and thus results in a stable algorithm. In contrast to existing methods, the aggregation step is done via a sampling algorithm which covers only small patches of the sampling space. Finally, the theoretical analysis is illustrated by two biomolecular examples.
    Keywords: ddc:000
    Language: English
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  • 37
    Publication Date: 2016-02-29
    Description: \noindent We give a partial description of the $(s,t)-p$-path polytope of a directed graph $D$ which is the convex hull of the incidence vectors of simple directed $(s,t)$-paths in $D$ of length $p$. First, we point out how the $(s,t)-p$-path polytope is located in the family of path and cycle polyhedra. Next, we give some classes of valid inequalities which are very similar to inequalities which are valid for the $p$-cycle polytope, that is, the convex hull of the incidence vectors of simple cycles of length $p$ in $D$. We give necessary and sufficient conditions for these inequalities to be facet defining. Furthermore, we consider a class of inequalities that has been identifie d to be valid for $(s,t)$-paths of cardinality at most $p$. Finally, we transfer the results to related polytopes, in particular, the undirected counterpart of the $(s,t)-p$-path polytope.
    Keywords: ddc:000
    Language: English
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  • 38
    Publication Date: 2020-11-13
    Description: The numerical integration of dynamical contact problems often leads to instabilities at contact boundaries caused by the non-penetration condition between bodies in contact. Even a recent energy dissipative modification due to Kane et al. (1999), which discretizes the non-penetration constraints implicitly, is not able to circumvent artificial oscillations. For this reason, the present paper suggests a contact stabilization which avoids artificial oscillations at contact interfaces and is also energy dissipative. The key idea of this contact stabilization is an additional $L^2$-projection at contact interfaces, which can easily be added to any existing time integration scheme. In case of a lumped mass matrix, this projection can be carried out completely locally, thus creating only negligible additional numerical cost. For the new scheme, an elementary analysis is given, which is confirmed by numerical findings in an illustrative test example (Hertzian two body contact).
    Keywords: ddc:000
    Language: English
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  • 39
    Publication Date: 2016-06-30
    Keywords: ddc:000
    Language: German
    Type: masterthesis , doc-type:masterThesis
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  • 40
    Publication Date: 2014-02-26
    Description: We discuss different approaches for the enumeration of triangulated surfaces. In particular, we enumerate all triangulated surfaces with 9 and 10 vertices. We also show how geometric realizations of orientable surfaces with few vertices can be obtained by choosing coordinates randomly.
    Keywords: ddc:000
    Language: English
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  • 41
    Publication Date: 2014-02-26
    Description: The concept of L##-convexity is introduced by Fujishige--Murota (2000) as a discrete convexity for functions defined over the integer lattice. The main aim of this note is to understand the difference of the two algorithms for L##-convex function minimization: Murota's steepest descent algorithm (2003) and Kolmogorov's primal algorithm (2005).
    Keywords: ddc:000
    Language: English
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  • 42
    Publication Date: 2014-02-26
    Description: In this survey on combinatorial properties of triangulated manifolds we discuss various lower bounds on the number of vertices of simplicial and combinatorial manifolds. Moreover, we give a list of all known examples of vertex-minimal triangulations.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 43
    Publication Date: 2020-02-11
    Description: This paper concerns the problem of operating a landside container exchange area that is serviced by multiple semi-automated rail mounted gantry cranes (RMGs) that are moving on a single bi-directional traveling lane. Such a facility is being built by Patrick Corporation at the Port Botany terminal in Sydney. The gantry cranes are a scarce resource and handle the bulk of container movements. Thus, they require a sophisticated analysis to achieve near optimal utilization. We present a three stage algorithm to manage the container exchange facility, including the scheduling of cranes, the control of associated short-term container stacking, and the allocation of delivery locations for trucks and other container transporters. The key components of our approach are a time scale decomposition, whereby an integer program controls decisions across a long time horizon to produce a balanced plan that is fed to a series of short time scale online subproblems, and a highly efficient space-time divisioning of short term storage areas. A computational evaluation shows that our heuristic can find effective solutions for the planning problem; on real-world data it yields a solution at most~8\% above a lower bound on optimal RMG utilization.
    Keywords: ddc:000
    Language: English
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  • 44
    Publication Date: 2014-02-26
    Description: We describe an algorithm for the enumeration of (candidates of) vertex-transitive combinatorial $d$-manifolds. With an implementation of our algorithm, we determine, up to combinatorial equivalence, all combinatorial manifolds with a vertex-transitive automorphism group on $n\leq 13$ vertices. With the exception of actions of groups of small order, the enumeration is extended to 14 and 15 vertices.
    Keywords: ddc:000
    Language: English
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  • 45
    Publication Date: 2014-02-26
    Description: We give coordinate-minimal geometric realizations in general position of all 865 vertex-minimal triangulations of the orientable surface of genus 2 in the 4x4x4-cube.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 46
    Publication Date: 2014-02-26
    Description: We give a complete enumeration of combinatorial 3-manifolds with 10 vertices: There are precisely 247882 triangulated 3-spheres with 10 vertices as well as 518 vertex-minimal triangulations of the sphere product $S^2 x S^1$ and 615 triangulations of the twisted sphere product $S^2 \underline{x} S^1$. An analysis of the 3-spheres with up to 10 vertices shows that all these spheres are shellable, but that there are 29 vertex-minimal non-shellable 3-balls with 9 vertices.
    Keywords: ddc:000
    Language: English
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  • 47
    Publication Date: 2019-05-10
    Description: Adaptive numerical methods in time and space are introduced and studied for linear poroelastic models in two and three space dimensions. We present equivalent models for linear poroelasticity and choose both the {\em displacement--pressure} and the {\em stress--pressure} formulation for our computations. Their discretizations are provided by means of linearly implicit schemes in time and linear finite elements in space. Our concept of adaptivity opens a way to a fast and reliable simulation of different loading cases defined by corresponding boundary conditions. We present some examples using our code {\sf Kardos} and show that the method works efficiently. In particular, it could be used in the simulation of some bone healing models.
    Keywords: ddc:000
    Language: English
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  • 48
    Publication Date: 2016-06-30
    Description: During the last few years more and more functionalities of RNA have been discovered that were previously thought of being carried out by proteins alone. One of the most striking discoveries was the de tection of microRNAs, a class of noncoding RNAs that play an important role in post-transcriptional gene regulation. Large-scale analyses are needed for the still increasingly growing amount of sequen ce data derived from new experimental technologies. In this paper we present a framework for the detection of the distinctive precursor structure of microRNAS that is based on the well-known Smith-Wat erman algorithm and various filtering steps. We conducted experiments on real genomic data and we found several new putative hits for microRNA precursor structures.
    Keywords: ddc:000
    Language: English
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  • 49
    Publication Date: 2014-02-26
    Description: Wir erleben zu Beginn des aufkommenden Informationszeitalters mit dem Siegeszug von Google und anderen Internet-Technologien einen Wandel im Verhalten von Wissenschaftlern und Studenten, der mit dem Einsatz von {\sl Google Scholar} und {\sl Google Book Search} einen Paradigmenwechsel für Bibliotheken und Informationsversorger gleichkommt. Der Artikel untersucht die technischen Hintergründe für den Erfolg dieser besonderen Art des Information Retrievals: Fulltext Indexing und Citation Ranking als besondere Form des Information Minig. Er diskutiert Stärken und auch Schwächen des Google-Ansatzes. Der Autor stellt sich auch der Frage, unter welchen Bedingungen es möglich ist, ein zu {\sl Google Scholar} und der {\sl Google Book Search} konkurrenzfähiges Retrieval in der Landschaft der Bibliotheken und Bibliotheksverbünde zu entrichten. Die These ist, dass dieses unter Einsatz des {\sl Open Source} Indexierers {\sl Lucene} und des Web-Robots {\sl Nutch} möglich ist. Bibliotheken können durch gezielten Einsatz solcher Internet-Technologien dem Nutzer die Leistungen, welche Google uns mit seinen Tools im {\sl Visible Web} und mit Referenzen auf {\sl Citations} in der Welt der Literatur zur Verfügung stellt, in vergleichbarer Art auch für ihre eigenen durch Lizenzen geschützten digitalen Journale und ihre speziellen lokal verfügbaren Ressourcen, auf die Internet-Suchmaschinen keine Zugriff haben, anbieten. Es besteht die Hoffnung, dass Nutzer dann nicht - wie in einer kürzlichen Studie des OCLC konstatiert - überwiegend im Internet verbleiben, sondern bei ihrer Suche auch den Weg zu den Angeboten der örtlichen Bibliothek attraktiv finden.
    Keywords: ddc:000
    Language: German
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  • 50
    Publication Date: 2014-02-26
    Description: We consider a system where the arrivals form a Poisson process and the required service times of the requests are exponentially distributed. According to the generalized processor sharing discipline, each request in the system receives a fraction of the capacity of one processor which depends on the actual number of requests in the system. We derive systems of ordinary differential equations for the LST and for the moments of the conditional waiting time of a request with given required service time as well as a stable and fast recursive algorithm for the LST of the second moment of the conditional waiting time, which in particular yields the second moment of the unconditional waiting time. Moreover, asymptotically tight upper bounds for the moments of the conditional waiting time are given. The presented numerical results for the first two moments of the sojourn times in the $M/M/m-PS$ system show that the proposed algorithms work well.
    Keywords: ddc:000
    Language: English
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  • 51
    Publication Date: 2022-07-07
    Description: We present a domain decomposition approach for the computation of the electromagnetic field within periodic structures. We use a Schwarz method with transparent boundary conditions at the interfaces of the domains. Transparent boundary conditions are approximated by the perfectly matched layer method (PML). To cope with Wood anomalies appearing in periodic structures an adaptive strategy to determine optimal PML parameters is developed. We focus on the application to typical EUV lithography line masks. Light propagation within the multi-layer stack of the EUV mask is treated analytically. This results in a drastic reduction of the computational costs and allows for the simulation of next generation lithography masks on a standard personal computer.
    Keywords: ddc:000
    Language: English
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  • 52
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 33 (1993), S. 393-399 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The univariant element, Q1 P0, and the multivariant elements, Q1+P0 and R2+ P0, are compared for the numerical simulation of the flow in extrusion dies. The pressure distribution obtained by using the Q1 P0 element was found to be afflicted with the checkerboard pressure mode. On the other hand, the multivariant elements, Q1+ P0 and R2+ P0, gave accurate and physically reasonable velocity and pressure distributions. The computed values of the pressure drop across extrusion dies matched well with the pressure drop determined experimentally.
    Additional Material: 12 Ill.
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  • 53
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 33 (1993), S. 377-382 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The viscoelastic responses of some molten polymers, and particularly of low density polyethylene (LDPE), are known to vary with processing history. Reasons for the variations include the effects of shear history on morphological states of the polymer, or on its molecular weight parameters. A typical low density polyethylene has been used to test the shear-history dependence concept following a variety of processing steps. The polymer was sheared in single-screw and twin-screw extruders, and in a high speed melter / mixer (Gelimat). Samples also were precipitated from very dilute solutions in trichlorobenzene and in p-xylene. GPC analyses showed that, in general, these procedures did not affect the various moments of molecular weight. An exception was the Gelimat-mixed sample, for which mild reductions in Mn and Mw were noted. In contrast, melt viscosity and elasticity readings, the former from low shear evaluations and the latter from extrudate swelling, were affected by the various procedures. A drop in melt viscosity and in elasticity was observed, being most pronounced for precipitated and twin-screw extruded versions of the LDPE. Reductions also were observed in the specimen sheared in the Gelimat instrument. Following conditioning at the test extrusion temperature (170°C), viscous and elastic responses tended to revert to those of the unsheared control sample, the exception again being the sample sheared in the Gelimat melter / mixer. Of the various mechanisms proposed in the literature to account for transient property changes such as those reported, temporary changes in the degree of chain entanglement appear the most satisfactory explanation. Irreversible alterations in viscoelastic properties may be associated with changes in molecular weights due to processing at high shear.
    Additional Material: 2 Ill.
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  • 54
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 33 (1993), S. 400-409 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: A model for the filling stage of injection molding of viscoelastic thermoplastics in cavities of complex shape is presented. The model considers two-dimensional melt flow, with converging and diverging flow patterns induced by complex boundary shape and by the presence of an obstacle. The model is non-isothermal (with the melt loosing heat to the mold walls as it travels into the cavity) and handles a viscoelastic (following the White-Metzner model) material with properties that vary with temperature, shear rate, and pressure. The numerical method is based on finite differences, with boundary fitted curvilinear coordinates used in the mapping of the flow field (which has an arbitrary shape that evolves with time) into a time invariant rectangle. The numerical results reveal geometry-induced asymmetries in the flow and thermal fields as well as the effect of various process parameters on the pressure and temperature profiles in the cavity. The model admits variable cavity thickness, thus allowing for a treatment of the cavity thickness as a process parameter in the simulations.
    Additional Material: 10 Ill.
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  • 55
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 33 (1993), S. 497-500 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The use of polymeric materials in building or construction applications is steadily increasing. Therefore, the potential for these materials to be exposed to fire is also increased. The understanding of the pyrolysis characteristics of these materials is thus a necessity. There are many standard tests used to evaluate materials. Unfortunately, the correlation between these tests and large scale fire is less than desirable. A new bench scale rate of heat release apparatus, the Cone Calorimeter, is now being used more frequently in pyrolysis testing of polymeric materials. This apparatus has been shown to correlate much better between room scale testing and large scale fire testing. The cone Calorimeter provides a pyrolysis profile of a material under ambient oxygen conditions. Characteristics such as ignition time, total heat release, maximum rate of heat release, mass loss during pyrolysis, CO2, CO, and smoke production are determined. In this work several almost neat polymers are examined and the general pyrolysis characteristics of these polymers are discussed. The objective of this work is to provide information of basic polymeric pyrolysis properties of these materials. Variations in the material, i.e., molecular weight, polydispersity, and residual catalysis, along with changes in testing procedures, can have dramatic effects on results. Obviously the addition of flame retardant and flame retardant packages to any of these materials will have dramatic effects on results.
    Additional Material: 4 Ill.
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  • 56
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 33 (1993) 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Type of Medium: Electronic Resource
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  • 57
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 33 (1993), S. 513-521 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The overall isothermal crystallization kinetics for nucleated and non-nucleated isotactic polypropylene (iPP)-dotriacontane systems was investigated. Adipic acid was used as the nucleating agent. Half-time was determined via differential scanning calorimetry as a function of the experimentally controlled variables dilution, crystallization temperature, and the addition of nucleating agent. The influence of these variables on crystallization mechanism and spherulitic structure, as implied by the Avrami analysis, was determined. The influence of these variables on fold surface energy was examined by the Lauritzen and Hoffman analysis.
    Additional Material: 6 Ill.
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  • 58
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The overall non-isothermal crystallization kinetics for nucleated and non-nucleated isotactic polypropylene (iPP) in dotriacontane systems was investigated. Adipic acid was used as the nucleating agent. Crystallization peak temperature was determined via differential scanning calorimetry as a function of the experimentally controlled variables iPP concentration, cooling rate, and nucleating agent concentration. The influence of these variables on crystallization mechanism and spherulitic structure as implied by the Ozawa and Ziabicki analyses was determined. The non-isothermal crystallization kinetics presented here are the first for iPP-diluent systems with and without nucleating agent.
    Additional Material: 8 Ill.
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  • 59
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 33 (1993), S. 543-548 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The static shear strength and static friction of three thermoplastics have been investigated for the case of contact between a bulk plastic sample and a very smooth metallic plate. The minimum tangential force required to shear the interfacial adhesion bonds between the two surfaces was measured and defined as the adhesion component of friction Fa. Experimental results showed that Fa is large when the surface energy is high or the interfacial energy is small and that a correlation may exist between this force and the work of adhesion evaluated from Dupré equation. The real area of contact Ar was also measured using an optical device designed to handle samples and experimental conditions similar to the static friction tests. It was found that Ar is proportional to Pa0.9 where Pa is the apparent pressure of contact and an increase of Fa with Pr was observed. The static shear strength τ has been evaluated as the ratio Fa/Ar, and its relationships with the real contact pressure P approximated by linear functions. It was concluded that τ increases at high P, although it has not been verified for ultra-high-molecular-weight polyethylene. An attempt has been made to explain the observed break in the data. The results indicated that (τ/τb) = κ′(τa/Pa) where b refers to bulk, a to apparent values, and κ′ is a proportionality constant that depends on the plastic material.
    Additional Material: 10 Ill.
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  • 60
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 33 (1993), S. 549-558 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: A variety of different styrene monomers [styrene (S), p-fluorostyrene (p-FS), pentafluorostyrene (PFS), p-chlorostyrene (p-ClS), p-bromostyrene (p-BrS), p-methylstyrene (p-MS), p-tert-butylstyrene (p-tBS), p-methoxystyrene (p-MOS), p-ethoxystyrene (p-EOS), and p-propoxystyrene (p-POS)] have been polymerized by radical and cationic mechanisms. Copolymers of S/PFS, S/p-ClS, S/2-vinyl-naphthalene (2-VN), and S/p-phenylstyrene (p-PhS) were prepared by radical polymerization. All polymers were fully amorphous and transparent and exhibited only one glass transition temperature in the temperature range 77 to 141°C. Thin films of the polymers were subjected to external electrical partial discharges (PD). Typically, 20 PD experiments were conducted for each polymer and the data for the time to breakdown were adapted to the two-parameter Weibull distribution function. The resistance towards PD of the various polymers was found to depend strongly on the monomeric structure. Complementary PD experiments on a series of narrow molecular mass polystyrenes confirmed that the minor variation in molecular mass between the different styrene polymers is of no importance for the PD resistance. The PD resistance of the homopolymers decreased in the following order: PS ≍ P(p-MS) 〉 P(p-tBS) ≍ P(p-BrS) 〉 P(p-POS) 〉 P(p-ClS) ≍ P(p-MOS) 〉 P(p-EOS) ≍ P(p-FS) 〉 P(PFS). The time to breakdown for copolymers of S and PFS decreased monotonously with increasing PFS content. Styrene copolymers with low molar contents of 2- VN and p-PhS exhibited a higher resistance towards PD than PS. The results are discussed with reference to various properties of the studied polymers, such as segmental mobility, ionization potential, resonance stabilization, and reactivity of the radicals formed.
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  • 61
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 33 (1993) 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Type of Medium: Electronic Resource
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  • 62
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    Polymer Engineering and Science 33 (1993), S. 614-621 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The glass transition temperatures in bismaleimide-based resins were investigated using different stoichiometric ratios of 1, 1′-(methylenedi-4, 1-phenylene)bismaleimide (BMI) and 4, 4′-methylenedianiline (MDA). The resin cure involves a low temperature primary amine addition to the maleimide double bonds and a high temperature homopolymerization of the maleimide double bonds. The network topology and the glass transition temperature changes with resin composition and curing conditions were determined using differential scanning calorimetry (DSC). An empirical model was used to relate the glass transition temperature to the extents of the amine addition and the homopolymerization reactions in 1:1 and 2:1 BMI:MDA resins. The changes in thermal properties with resin post-cure were also examined.
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  • 63
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    Polymer Engineering and Science 33 (1993), S. 640-644 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Dynamic mechanical properties, tensile properties, and scanning electron microscopy of blends of poly(methyl methacrylate) and polycarbonate were investigated after phase separation above their cloud point temperature by annealing in a hot press. The dynamic mechanical properties show that phase separation proceeds more distinctly for the blends annealed at higher temperature and for longer time. The scanning electron micrographs show that the morphology of phase separated blends varies with the conditions of heat treatment. The tensile properties of phase separated blends deteriorate on account of the coarsening of the brittle dispersed phase over the optimum size and the occurrence of voiding during the heat treatment.
    Additional Material: 6 Ill.
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  • 64
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    Polymer Engineering and Science 33 (1993), S. 665-674 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The packing stage starts at the end of mold filling. During this stage, additional material is forced into the mold to compensate for the shrinkage during subse-quent cooling. Underpacking results in molded parts with dimensional variation. Overpacking causes flash at the parting lines, stick during ejection, and excess residual stresses resulting in warpage. The packing stage is thus extremely important in the determination of the final quality of the product. Despite its importance, analysis of the packing stage has been relatively ignored, particularly the viscoelastic effect. In this work, the analysis of the isothermal packing stage is presented for a Maxwell fluid. A set of governing equations is derived for a two-dimensional mold and solved using the Galerkin finite element method. In addition to the distribution of velocity and pressure, the model predicts the stresses in the planar direction, which could be used for subsequent calculation of the residual stresses.
    Additional Material: 11 Ill.
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  • 65
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    Polymer Engineering and Science 33 (1993), S. 675-685 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The objective this work was to determine the effects of selected polyester catalysts on the reaction of a polyester with epoxy functional polymers. Polyesters containing various catalyst metals were melt blended with either an ethylene-co-glycidyl methacrylate or a styrene-co-glycidyl methacrylate copolymer. The viscosities of the blends were monitored as a function of mixing time using torque rheometry. In addition, the molecular weight distributions of selected samples were analyzed using gel permeation chromatography. Both the torque rheometry and the gel permeation chromatography results indicate that the polyester reacts with epoxy functional polymers. This reaction occurs under conditions and at processing times which are readily obtainable in conventional melt processing equipment. Furthermore, the reaction kinetics of polyesters with glycidyl methacrylate copolymers are dramatically affected by the nature of the catalyst system used to prepare the polyester. Under the conditions used, antimony catalysts are particularly effective at promoting the reaction between polyesters and the epoxy functionality and the activity of the catalysts studied appears to decrease in the following order: antimony 〉 gallium 〉 tin ≃ titanium 〉 germanium. Manipulation of the polyester catalyst system may offer a method to control the extent of reaction obtained in reactive processing of polyesters with epoxy functional compounds.
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  • 66
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    Polymer Engineering and Science 33 (1993), S. 709-715 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The flow kinematics of power-law fluids in fishtail dies is studied. A general isothermal three-dimensional finite element code developed by the authors is used for the flow analysis purpose. The basic geometry of the fishtail die is defined by simple super-elliptical curves, which allows a smooth transition from a circle to a slit. The three-dimensional path line and the residence time distribution (RTD) are calculated from the velocity field obtained from the finite element solution of the conservation equations. The effects of the rheological properties and the die geometry on the path line pattern and the residence time distribution are investigated. The results indicate that as both the length of the transition zone and the fishtail angle increases, the residence time distribution becomes more uniform. However, the power-law index does not affect the residence time distribution significantly.
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  • 67
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    Polymer Engineering and Science 33 (1993), S. 736-741 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The polymers of the aromatic nitrogen compounds N-methyl-pyrrole (P-N-Me-PPY), carbazole (PCarb), and aniline (PANI) have been investigated with electro-optical and surface analytical methods. The in-situ reflection spectra indicate the formation of polarons or bipolarons during electrochemical oxidation, depending on polymer type. The absorption bands can be attributed to changes in the electronic structure with regard to the applied potential. Photocurrent spectra of P-N-Me-PPY and PCarb show a p-type semiconducting behaviour for the polymers in the reduced state. The transition to the oxidized state with quasi-metallic properties is indicated by a significant shift in the Fermi level energy and can be followed with XPS and UPS measurements.
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  • 68
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    Polymer Engineering and Science 33 (1993), S. 838-844 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Extruded films of liquid crystalline polymer (LCP)/fluoropolymer blends were melt drawn to develop uniaxial orientation of a microfibrillar dispersed LCP phase. The anisotropy of the films increased with increasing draw and LCP content in the blend. Laminated composite plates were prepared using the extruded sheets as prepreg. The mechanical properties and coefficient of thermal expansion (CTE) of the prepreg and laminates agreed well with predictions from composite lamination theories. The potential for replacing glass fiber reinforced fluoropolymers with LCP/fluoropolymer blends in applications such as microwave circuit boards is discussed.
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  • 69
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    Polymer Engineering and Science 33 (1993) 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
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  • 70
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    Polymer Engineering and Science 33 (1993), S. 865-876 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: This review presents a general picture of suspension, dispersion, and interfacial polycondensation processes employed for the preparation of beaded resins, dry powders, and high solid dispersions. The polymer systems covered include polyamides, polyesters, polycarbonates, polyurethanes, and phenol-formaldehyde and urea-formaldehyde resins. Basic features of heterogeneous polycondensation processes are outlined, and different mechanisms of particle formation in suspension, dispersion, and interfacial polycondensation are discussed. Effects of manufacturing parameters such as feed ratio, droplet/particle stabilizer, and stirrer speed on product characteristics are also briefly covered.
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  • 71
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    Polymer Engineering and Science 33 (1993), S. 781-788 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The extrudate swell and the dynamic rheological properties of poly(butylene terephthalate) (PBT) and polyamide 6 (PA6) binary blends were investigated at 240°C. The extrudate swell of the blend varies with the viscosity ratio and composition of constituents, and it is several times larger than that of homopolymers when the viscosity ratio of constituents is around unity. The dynamic oscillatory data could be interpreted by Oldroyd's emulsion model proposed by Graebling, et al. These results suggest that the extrudate swell is caused by the shape recovery of the dispersed particles. A semi-empirical method to estimate the terminal relaxation time with experimental data was introduced, and a clear correlation between the extrudate swell and the terminal relaxation time was obtained.
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  • 72
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    Polymer Engineering and Science 33 (1993), S. 819-826 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Much work in recent years had focused on the improvements of the impact properties of engineering thermoplastics by the addition of a low modulus modifier that contains polar moieties as a result of polymerization or that has been modified to contain polar moieties as a result of various grafting techniques. Styrenic block copolymers (styrene-ethylene/butylene-styrene) functionalized with maleic anhydride have proved useful as impact modifiers and compatibilizers in blends with engineering thermoplastics. This paper focuses on the use of these functionalized elastomers to modify nylon 6. In such compositions, a nylon material with unique mechanical performance may be achieved using the functionalized elastomer either alone or in combination with an unfunctionalized styrenic block copolymer. The optimization of performance in these rubber toughened polyamide blends using various types of styrenic block copolymers is discussed. The morphology as it pertains to performance is also reviewed. The information contained herein may prove useful in obtaining a better understanding of the mechanisms of compatibilization and modification of nylon 6 systems.
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  • 73
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    Polymer Engineering and Science 33 (1993), S. 827-837 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Oriented blends of poly(ethylene terephthalate) (PET) and high density polyethylene (HDPE) with and without compatibilizing agent have been studied with regard to orientation temperature, stretch rate, extension ratio, mode of orientation, and blend composition. These oriented blends have been characterized using infrared spectroscopy and differential scanning calorimetry. The tensile and tensile impact properties were also investigated. The results show that blends with compatibilizer show strain hardening upon orientation, whereas the blend without compatibilizer does not strain harden upon orientation. The blends with less PET content have been difficult to orient. The morphology of these blends show fibril structure, highly oriented in the direction of stretch. Infrared measurements show that PET within the blend has undergone strain induced crystallization upon orientation. It has also been observed that the mechanical properties, such as the modulus and ultimate stress, show improvement upon orientation. Simultaneously stretched blends show better physical properties than sequentially oriented blends.
    Additional Material: 21 Ill.
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  • 74
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    Polymer Engineering and Science 33 (1993), S. 895-900 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: This paper illustrates the factors that control brittle failure under fatigue loading for test specimens cut from medium-density polyethylene pipes for gas distribution. A square bar specimen cut from a pipe with a notch was made and a fatigue test was conducted to cause a brittle failure. To obtain the correlation among stress range, frequency, temperature, and cycles to failure in this fatigue test, Coffin-Manson's frequency-modified fatigue life equation was adopted and the material constants were determined. By gradually lowering the frequency, the resistance to creep can be estimated because cycles to failure - indicating the fatigue damage - decreased, and the actual loading time - indicating the creep damage - increased.
    Additional Material: 9 Ill.
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  • 75
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    Polymer Engineering and Science 33 (1993), S. 923-930 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The interfacial tension, phase morphology, and phase growth was determined for four polymer blend systems: polyethylene/polystyrene, polyethylene/polyamide-6, polystyrene/polyamide-6, and polystyrene/poly(ethylene terephthalate). Generally, high interfacial tension correlates with coarse phase morphology and rapid phase coalescence. The addition of various potential compatibilizing agents to these binary blend systems results in lowered interfacial tension, finer and stabilized phase morphologies. The characteristics of different compatibilizing agents were compared for several of the blend systems. We also look at the influences of compatibilizing agents on mechanical properties of the blend systems. Some compatibilizing agents are able to produce substantial improvements in ultimate properties.
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  • 76
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    Polymer Engineering and Science 33 (1993), S. 937-943 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Unidirectional sheets were extruded of an in-situ composite of thermotropic liquid crystalline Vectra B950 in a matrix of polyphenylene-ether and polystyrene. Three important processing parameters were systematically varied: draw-ratio, slit opening and extruder throughput. Morphology and mechanical properties of these films were determined, and qualitatively related to the processing conditions.
    Additional Material: 6 Ill.
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  • 77
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    Polymer Engineering and Science 33 (1993), S. 959-970 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: It is of great importance to accurately measure or predict the Residence Time Distribution (RTD) in designing extruders and/or in setting up a proper operating condition, because chemical reactions depend significantly on the RTD and temperature when chemical reactions take place during the extrusion process. A previous method to predict the RTD can analytically determine RTD, Residence Time Distribution Function f(t) and Cumulative Residence Time Distribution Function F(t), based on a simplified two-dimensional velocity field in an extruder. However, this previous method cannot accurately take into account the three-dimensional circulatory flow inside the extruder. The present paper suggests a new method to accurately determine the RTD taking into account the three-dimensional circulatory flow and presents a new formula derived to calculate f(t). In order to demonstrate the applicability of the new method including the circulatory flow effect, RTD, f(t) and F(t) were calculated based on a three-dimensional velocity field obtained via a quasi-three-dimensional finite element analysis. It was found that the previous method has a tendency to underestimate the RTD, owing to the neglect of the three-dimensional circulatory flow in comparison with the new method.
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  • 78
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    Polymer Engineering and Science 33 (1993), S. 980-988 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Experimental data confirm the utility of the following simple equation in predicting the spin coating behavior of polyimide precursor solutions: \documentclass{article}\pagestyle{empty}\begin{document}$$ {\rm h} = {\rm c\beta }_{\rm 0} {\rm k}^{{\rm \beta }_{\rm 1} } {\rm \omega }^{{\rm \beta }_{\rm 2} } {\rm t}^{{\rm \beta }_{\rm 3} } \quad\quad\quad\quad{\rm (1)} $$\end{document} in which \documentclass{article}\pagestyle{empty}\begin{document}$$ \begin{array}{*{20}c} {c = {\rm polymer\, solution\, solid\, weight\, fraction;}} \\ {\beta _i = {\rm fitted\, coefficient\, (Greek\, letter\, beta)};} \\ \quad{h = {\rm film\, thickness\, after\, cure\, or\, solvent\, removal};} \\ \quad{k = {\rm polymer\, solution\, kinematic\, viscosity, centistokes};} \\ {t = {\rm time},{\rm and;}} \\ \quad{\omega = {\rm wafer\, spin\, speed, rpm (Greek\, letter\, omega)}.} \\ \end{array} $$\end{document}.
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  • 79
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Ternary systems consisting of polypropylene (PP), ethylene-propylene-dieneterpolymer (EPDM) and different types of inorganic fillers (kaolin, BaSO4) have been investigated with respect to their mechanical behavior. On the basis of an Interphase model, it was possible using the modified van der Poel equation to describe the temperature dependence of the storage modulus G′(T) and the loss modulus G″(T). The interphase properties G′(T) and G″(T) could be calculated.
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  • 80
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    Polymer Engineering and Science 33 (1993), S. 1251-1260 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Signal deterioration of optical discs depends strongly on the substrate surface roughness. Characteristics of surface roughness of the molded substrate have been studied in order to clarify the transcription mechanism of smooth surfaces in injection molding of polycarbonate resin. When the melt temperature, mold temperature, and injecting rate are low, microscopic flow marks more than 5 nm deep are observed on the surface. These flow marks are formed when the melted resin near the mold wall is cooled to the no-flow temperature of resin before it comes into contact with the mold wall. Molding transcription improves by optimizing the molding conditions for preventing these flow marks. As a result, the surface roughness of the molded substrate obtained is 3.2 nm in maximum height Rmax, which is nearly equal to that of the mold stamper at 2.7 nm in Rmax.
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  • 81
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    Polymer Engineering and Science 33 (1993), S. 1279-1287 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: A finite element numerical analysis of preform inflation associated with the injection blow molding process has been developed using a neo-Hookean constitutive model. The analysis is capable of predicting final wall thickness distributions for axisymmetric mold geometries. Experimental studies were conducted on a Uniloy injection blow molding machine (Model 189-3 and Model 122). A twelve ounce (355 mL) cylindrical bottle mold was instrumented with contact sensors, thermocouples, and pressure transducers. Visualization studies of the inflation process were performed using specialized tooling and high-speed video cameras. The experimental studies provide justification for analyzing the deformation by means of a static elastic approach. The predicted wall thickness distribution is in reasonable agreement with the experimental data. Nonuniformities in the temperature distribution in the preform were found to have the most significant impact on the inflation behavior and the resulting wall thickness.
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  • 82
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    Polymer Engineering and Science 33 (1993), S. 1301-1307 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Dielectric α-relaxation of a bisphenol-A type epoxide oligomer has been investigated in the vicinity of the glass transition temperature (Tg) by the direct current (DC) transient method. The logarithm of the DC transient current for the oligomer was well approximated by the third order function of the logarithm of time. The complex dielectric constant was calculated through the Fourier transformation of that approximation function according to Simpson's integration rule in a frequency range of 10-5 - 1 Hz. At the temperature around the Tg (45°C), the dielectric α-relaxation process of the oligomer was found to be governed by the Havriliak-Negami equation. The relationship between the DC conductivity (σ) and the dielectric relaxation time (τ), σ·τm = const, is valid near and above the Tg of the oligomer. The DC transient current method combined with the DC conduction and the dielectric bridge measurements is considered to be a practical tool for analyzing the dielectric α-relaxation process of the epoxide oligomer over a wide frequency and temperature range.
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  • 83
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    Polymer Engineering and Science 33 (1993), S. 1329-1335 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: In this study, styrene-(ethylene-co-butylene)-styrene (SEBS) triblock copolymer (Kraton G-1652) was modified with maleic anhydride (MA). The maleated SEBS was used as compatibilizer for the blends of Nylon 6 (PA6) and SEBS. The morphology and impact strength of the blends were measured as functions of concentration and MA graft ratio of maleated SEBS. The compatibility and fracture mechanism of the blends were evaluated from the SEM micrographs of the xylene-etched surfaces and of fractured surfaces. Some of the blends exhibited an impact strength up to about 30 fold greater than neat PA6. The fracture involved both both cavitation and shear yielding. The mechanism of compatibilization of maleated SEBS in the ternary components blends was proposed.
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  • 84
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    Polymer Engineering and Science 33 (1993), S. 1341-1351 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: This paper reports on the theoretical and experimental studies of structure formation and strengthening (stiffening) of flexible-chain polymers. Two techniques of strengthening relying on the melt extrusion, i.e., orientational crystallization (crystallization initiated by melt extension) and drawing (uniaxial stretching of a crystallized polymer) are analysed by theory. The experiments involved preparation and study of melt extruded films and film fibers of linear polyethylene formed by the two techniques mentioned above. The effect of the degree of orientation and other parameters of the formation processes on the mechanical characteristics and the factors limiting the ultimate values of these characteristics are discussed. It is shown that multistage drawing succeeds in achieving a higher tensile strength and elastic modulus (1.2 and 35 GPa, respectively) than the orientational crystallization, which gives 0.8 and 15 GPa. The strengthening by drawing is accompanied by microcrack formation. In contrast, no discontinuities are observed in orientationally crystallized samples up to their ultimate extension.
    Additional Material: 13 Ill.
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  • 85
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 33 (1993), S. 1370-1371 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Additional Material: 1 Ill.
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  • 86
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 33 (1993), S. 1381-1389 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Because of the inability of existing automotive bumpers to absorb energy during impacts over the supports, energy absorbers have to be used to make bumpers effective in barrier impacts. A parametric analysis of a novel double-beam bumper concept has shown that its performance, in terms of energy absorption and impact forces, is insensitive to the location of the point of impact. Physical realizations of this concept, which may not require more material than existing designs, and which are particularly suited to thermoplastic materials, have been developed.
    Additional Material: 16 Ill.
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  • 87
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 33 (1993), S. 1270-1278 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Flow in a three-dimensional channel with a sinusoidally-wavy, vertical wall is examined for the case of applied down- and cross-channel velocity components. An important parameter for the analysis of the nature of laminar mixing in the flow field occurs when the changes in the downstream direction can be decoupled from the changes in the cross-channel direction, thereby allowing for a two-dimensional solution of the system of equations. This paper shows the effect on the nature of laminar mixing when the decoupling of the momentum equations from a fully three-dimensional case to one where a two-dimensional solution can be performed. Experiments are performed on a channel with sinusoidally varying vertical walls that cover the range of decoupling criteria. Silicone pigmented either white or black was run in the apparatus, cured, and cross-sectioned. The cross sections embody a local, detailed history of the state of mixing as it proceeds down the mixer. The amount of mixing is presented as a function of position at each cross section for the different channel configurations. The nature of mixing changes from a linear growth rate in the amount of interfacial area to an exponential rate as the amplitude of the wave is increased. Results demonstrate the existence of chaos, islands, and the factors affecting the mixing behavior.
    Additional Material: 8 Ill.
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  • 88
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 39 (1993), S. 422-433 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The memory integral based on convolution of the unit step response to loading a clean pellet with concentration history at the pellet surface is proposed for computations of mass transfer in adsorption process simulation. Although rate laws are widely used to describe diffusion and sorption in pellets for slow (Glueckauf, 1955) and moderate (Kim, 1989) rates of mass transfer, these models fail to describe mass transfer at short contact times because the concentration history experienced by the pellet is not accounted for. To facilitate memory integral computations, approximations to the unit step response to loading a clean pellet are derived based on a single moving finite element and by asymptotic matching in time. Numerical evaluation of the memory integral is demonstrated on simple cycles which show the merits of this approach.
    Additional Material: 6 Ill.
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  • 89
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 39 (1993), S. 397-412 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The problem of bulk, transition and Knudsen regime diffusion in structures of freely overlapping fibers of various orientation distributions was numerically investigated, and the interrelation of the resulting effective diffusivities was examined. Fibers were randomly positioned and oriented in d = 1, 2, or 3 directions. A Monte Carlo simulation scheme was employed to determine the effective diffusivities from the mean-square displacement of random walkers traveling in the interior of the porous structure. The effective diffusivity was found to depend strongly on the orientational distribution of the fibers, porosity of the fibrous structures, and Knudsen number. The tortuosity factor decreased in general with increasing porosity, approaching at the limit of dilute beds the lower bound derived for each direction of diffusion from variational principles. The simulation results agreed well with experimental values of the bulk tortuosity of fibrous beds from the literature. It was also found that the reciprocal additivity or harmonic average effective diffusivity expression (Bosanquet formula), commonly used to estimate transition regime diffusivities from the values at the ordinary and Knudsen diffusion limits, provides an excellent approximation for the effective diffusivity of fibrous beds, except for that parallel to the fibers of a unidirectional structure.
    Additional Material: 17 Ill.
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  • 90
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 39 (1993), S. 461-470 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The asymptotic behavior of fixed-point methods in the complex domain is studied. Both direct substitution and Newton's method exhibit stable periodic and aperiodic behavior from real- or complex-valued starting points. Moreover, multiple stable periodic orbits can exist for direct substitution. Traditional trust region (or dogleg) methods, on the other hand, often terminate at singular points, which correspond to nonzero-valued saddlepoints in the least-squares function that can be arbitrarily far from a solution. Furthermore, the basins of attraction of these singular points are usually dispersed throughout the basin boundaries in the complex domain, clearly illustrating that singular points (via the dogleg strategy) also attract either real- or complex-valued starting points.In light of this, an extension of the dogleg strategy to the complex domain, based on a simple norm-reducing, singular point perturbation, is proposed. This extended trust region method removes all forms of nonconvergent behavior and always terminates at a fixed point, even from critical point (worst-case) initial values. Many numerical results and geometric illustrations using chemical process simulation examples are presented.
    Additional Material: 9 Ill.
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  • 91
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 39 (1993), S. 446-460 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Most of the advanced nonlinear control algorithms require a model of the system to be controlled. Unfortunately, most of the processes in the chemical industry are nonlinear, and fundamental models describing them are lacking. Thus there is a need for the identification and control of nonlinear systems through available inputoutput data. In this article, we briefly introduce the input-output model used (polynomial ARMA models), and analyze its stability and invertibility. This paves the way to the development of a nonlinear-model-predictive controller. Implementation issues such as modeling of disturbance, state and parameter estimation are discussed. The theory presented is illustrated through examples.
    Additional Material: 6 Ill.
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  • 92
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 39 (1993), S. 471-492 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The separation of a binary mixture, using a third component having intermediate adsorptivity as desorbent, in a four section countercurrent adsorption separation unit is considered. A procedure for the optimal and robust design of the unit is developed in the frame of Equilibrium Theory, using a model where the adsorption equilibria are described through the constant selectivity stoichiometric model, while mass-transfer resistances and axial mixing are neglected.By requiring that the unit achieves complete separation, it is possible to identify a set of implicit constraints on the operating parameters, that is, the flow rate ratios in the four sections of the unit. From these constraints explicit bounds on the operating parameters are obtained, thus yielding a region in the operating parameters space, which can be drawn a priori in terms of the adsorption equilibrium constants and the feed composition.This result provides a very convenient tool to determine both optimal and robust operating conditions. The latter issue is addressed by first analyzing the various possible sources of disturbances, as well as their effect on the separation performance. Next, the criteria for the robust design of the unit are discussed. Finally, these theoretical findings are compared with a set of experimental results obtained in a six port simulated moving bed adsorption separation unit operated in the vapor phase.
    Additional Material: 18 Ill.
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  • 93
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 39 (1993), S. 505-509 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 2 Ill.
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  • 94
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 39 (1993), S. 513-517 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 6 Ill.
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  • 95
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 39 (1993), S. 518-520 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 1 Tab.
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  • 96
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 39 (1993), S. 510-512 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 4 Ill.
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  • 97
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 39 (1993), S. 1716-1720 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Chabazite zeolites are used at Oak Ridge National Laboratory to decontaminate wastewaters containing 90Sr and 137Cs. Treatability studies show that chabazite can remove trace amounts of these nuclides from wastewaters containing much higher concentrations of calcium and magnesium. The design of ion-exchange columns for multicomponent systems requires a method for predicting multicomponent equilibria from binary, ternary and quaternary experiments, since the number of experiments required for an empirical equilibrium model is not generally feasible. Binary interaction parameters for the Wilson equation are used to predict solid-phase activity coefficients for the five-component system. The sum of squares of deviations between experimental and predicted solution concentrations for the data points available is calculated. The average deviation per data point for the five-component system is lower than for some of the ternary-and four-component data sets containing calcium or magnesium.
    Additional Material: 3 Ill.
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  • 98
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 39 (1993), S. 1708-1715 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The limiting current technique was used to measure area-averaged mass-transfer coefficients for surfaces containing many small reactive areas arranged in various patterns. Partially masked platinum electrodes were fabricated using photolithography, and mass-transfer measurements were performed with a rotating disk apparatus. The average mass-transfer coefficient was sensitive to the fraction of the electrode area exposed (ε), declining from values near that for a fully exposed surface for ε = 0.5 to less than 1% of the fully exposed value for ε = 0.001. For any given ε, the mass-transfer coefficient declined with increased spacing between reactive sites. The results were relatively insensitive to details of the site distribution, such as whether the sites were arranged in regular arrays (square or hexagonal lattices) or distributed randomly over the surface. For all conditions studied, the mass-transfer coefficient greatly exceeded that predicted by conventional models which apply the stagnant film approximation to the fluid surrounding a representative active site. This finding is qualitatively consistent with recent computational results, which suggest that convective transport enhances mass transfer at partially active surfaces to an extent not accounted for by adjustments in the effective film thickness.
    Additional Material: 6 Ill.
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  • 99
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 39 (1993), S. 1720-1720 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
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  • 100
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 39 (1993), S. 1272-1280 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: An instability analysis has been carried out to elucidate the unsteady flow conditions encountered in the typical circulating fluidized bed units in light of the conveyor-solids feeder interaction. The results successfully predict the critical velocity and the maximum solids circulation rates reported in the literature and explain the origin of such unstable conditions. Furthermore, the simulation, for the first time, reveals the importance of unit structure in improving the performance of circulating fluidized bed systems. Finally, the concept of a high-density circulating fluidized bed is proposed.
    Additional Material: 12 Ill.
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