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  • 1
    Publication Date: 2014-02-26
    Description: The paper's main result is a simple derivation rule for the Jacobi polynomials with respect to their parameters, i.e. for $\partial_{\alpha} P_n^{\alpha,\beta}$, and $\partial_{\beta} P_n^{\alpha,\beta}$. It is obtained via relations for the Gaussian hypergeometric function concerning parameter derivatives and integer shifts in the first two arguments. These have an interest on their own for further applications to continuous and discrete orthogonal polynomials. The study is motivated by a Galerkin method with moving weight, presents all proofs in detail, and terminates in a brief discussion of the generated polynomials.
    Keywords: ddc:000
    Language: English
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  • 2
    Publication Date: 2014-02-26
    Description: We derive a simple accuracy matching strategy for inexact Gauss Newton methods and apply it to the numerical solution of boundary value problems of ordinary differential equations by collocation. The matching strategy is based on an affine contravariant convergence theorem, i. e. , the characteristic constants are invariant under affine transformations of the domain. The inexact Gauss Newton method is applied to an integral formulation of the BVP. As discretization for the arising linear subproblems we employ adaptive collocation at Gaussian nodes with varying local orders and stepsizes. The grids are chosen via adaptive refinement and order selection.
    Keywords: ddc:000
    Language: English
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  • 3
    Publication Date: 2015-06-01
    Description: In this article we present a method to implement orthogonal polynomials and many other special functions in Computer Algebra systems enabling the user to work with those functions appropriately, and in particular to verify different types of identities for those functions. Some of these identities like differential equations, power series representations, and hypergeometric representations can even dealt with algorithmically, i.\ e.\ they can be computed by the Computer Algebra system, rather than only verified. The types of functions that can be treated by the given technique cover the generalized hypergeometric functions, and therefore most of the special functions that can be found in mathematical dictionaries. The types of identities for which we present verification algorithms cover differential equations, power series representations, identities of the Rodrigues type, hypergeometric representations, and algorithms containing symbolic sums. The current implementations of special functions in existing Computer Algebra systems do not meet these high standards as we shall show in examples. They should be modified, and we show results of our implementations.
    Keywords: ddc:000
    Language: English
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  • 4
    Publication Date: 2014-02-26
    Description: {\newcommand{\R} {{\rm {\mbox{\protect\makebox[.15em][l]{I}R}}}} Given a list of $n$ numbers in $\R $, one wants to decide wether every number in the list occurs at least $k$ times. I will show that $(1-\epsilon)n\log_3(n/k)$ is a lower bound for the depth of a linear decision tree determining this problem. This is done by using the Björner-Lov\'asz method, which turns the problem into one of estimating the Möbius function for a certain partition lattice. I will also calculate the exponential generating function for the Möbius function of a partition poset with restricted block sizes in general.}
    Keywords: ddc:000
    Language: English
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  • 5
    Publication Date: 2014-02-26
    Description: Die Autoren sind sich dar{ü}ber im klaren, daß zahlreiche Imponderabilien die Ergebnisse der vorgelegten Modellrechnungen beeinflussen k{ö}nnen. Immerhin repräsentiert jedoch das vorgelegte mathematische Modell die Summe unserer derzeitigen Kenntnisse zur Fragestellung AIDS--Epidemie; neu hinzukommende Erkenntnisse lassen sich rasch einarbeiten und in ihren Konsequenzen überschauen. Die Entwicklung neuer effizienter numerischer Methoden spielte eine Schlüsselrolle bei der tatsächlichen Simulation dieses umfangreichen realitätsnahen mathematischen Modells.
    Keywords: ddc:000
    Language: German
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  • 6
    Publication Date: 2014-02-26
    Description: We present an adaptive Rothe method for two--dimensional problems combining an embedded Runge--Kutta scheme in time and a multilevel finite element discretization in space. The spatial discretization error is controlled by a posteriori error estimates based on interpolation techniques. A computational example for a thermodiffusive flame propagation model illustrates the high accuracy that is possible with the proposed method.
    Keywords: ddc:000
    Language: English
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  • 7
    Publication Date: 2014-02-26
    Description: The multicommodity linear formulation of the Fixed Charge Network Flow Design problem is known to have significantly sharp linear relaxation lower bounds. However the tradeoff is the introduction of a large amount of artificial variables. We exhibit a class of special instances for which the lower bound is tight. Further we completly describe the polyhedron in the space of the natural variables.
    Keywords: ddc:000
    Language: English
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  • 8
    Publication Date: 2020-03-09
    Description: Die von der DMV-Fachgruppe Scientific Computing in Kooperation mit dem gleichnamigen GAMM-Fachausschuss organisierte Tagung \glqq Scientific Computing in der Theoretischen Physik\grqq~fand vom 16. - 18. März 1994 am Fachbereich Mathematik und Informatik der Freien Universität Berlin statt. Ziel des Workshops war, die Kontakte zwischen den Fachleuten der Gebiete {\em Computational Physics} und {\em Scientific Computing} zu intensivieren. Schwerpunkte des Workshops waren numerische Simulation von Transportmodellen der Astrophysik und Halbleiterphysik, Multilevel-Methoden für partielle Differentialgleichungen sowie Monte-Carlo-Methoden und molekulardynamische Verfahren für Probleme der Statistischen Physik und Quantenfeldtheorie. Der Workshop fand ein äusserst positives Echo und führte über 70 Teilnehmer der verschiedenen Teilgebiete der Theoretischen Physik und ca. 50 Teilnehmer aus dem Bereich der Numerischen Mathematik zusammen. \originalTeX
    Keywords: ddc:000
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  • 9
    Publication Date: 2015-06-01
    Description: We give an overview of an approach on special functions due to Truesdell, and show how it can be used to develop certain type of identities for special functions. Once obtained, these identities may be verified by an independent algorithmic method for which we give some examples.
    Keywords: ddc:000
    Language: English
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  • 10
    Publication Date: 2015-06-01
    Description: {\newcommand{\N} {{\rm {\mbox{\protect\makebox[.15em][l]{I}N}}}} In several publications the first author published an algorithm for the conversion of analytic functions for which derivative rules are given into their representing power series $\sum\limits_{k=0}^{\infty}a_{k}z^{k}$ at the origin and vice versa, implementations of which exist in {\sc Mathematica}, {\sc Maple} and {\sc Reduce}. One main part of this procedure is an algorithm to derive a homogeneous linear differential equation with polynomial coefficients for the given function. We call this type of ordinary differential equations {\sl simple}. Whereas the opposite question to find functions satisfying given differential equations is studied in great detail, our question to find differential equations that are satisfied by given functions seems to be rarely posed. In this paper we consider the family $F$ of functions satisfying a simple differential equation generated by the rational, the algebraic, and certain transcendental functions. It turns out that $F$ forms a linear space of transcendental functions. % with polynomial function coefficients. Further $F$ is closed under multiplication and under the composition with rational functions and rational powers. These results had been published by Stanley who had proved them by theoretical algebraic considerations. In contrast our treatment is purely algorithmically oriented. We present algorithms that generate simple differential equation for $f+g$, $f\cdot g$, $f\circ r$ ($r$ rational), and $f\circ x^{p/q}$ ($p,q\in\N_0$), given simple differential equations for $f$, and $g$, and give a priori estimates for the order of the resulting differential equations. We show that all order estimates are sharp. After finishing this article we realized that in independent work Salvy and Zimmermann published similar algorithms. Our treatment gives a detailed description of those algorithms and their validity.}
    Keywords: ddc:000
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  • 11
    Publication Date: 2020-11-17
    Description: The power of the symbolic math system {\small REDUCE} for solving large and difficult problems in science and engineering is demonstrated by a set of model problems. These include algebraic equation solving, formal variable elimination, formal power series, symbolic treatment of differential equations and applications from theoretical physics.
    Keywords: ddc:000
    Language: English
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  • 12
    Publication Date: 2014-02-26
    Description: Results from finite-element-calculations are usually visualized by colored surface- and contour-line-plots or polygonal patches or simply displaced lines and grids. In computer graphics however more advanced techniques like texture-mapping and NURBS are well established and there exist efficient algorithms and implementations. We show that these techniques are not only easy to use, but form a very natural and far more efficient approach for visualization of higher order finite-element's solutions like in $p$- and $h$-$p$-version. Texture-mapping is useful for displaying vector-valued data, too.
    Keywords: ddc:000
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  • 13
    Publication Date: 2014-02-27
    Description: In Quantum Chemistry the field of Laser--Assisted Molecular Control'' has received a considerable amount of attention recently. One key problem in this new field is the simulation of the dynamical reaction of a molecule subjected to external radiation. This problem is described by the Schrödinger equation, which, after eigenfunction expansion, can be written in the form of a large system of ordinary differential equations, the solutions of which show a highly oscillatory behaviour. The oscillations with high frequencies and small amplitudes confine the stepsizes of any numerical integrator -- an effect, which, in turn, blows up the simulation time. Larger stepsizes can be expected by averaging these fast oscillations, thus smoothing the trajectories. Standard smoothing techniques (averaging, filtering) would kill the whole process and thus, lead to wrong numerical results. To avoid this unwanted effect and nevertheless speed up computations, this paper presents a quasiresonant smoothing algorithm (QRS). In QRS, a natural splitting parameter $\delta$ controls the smoothing properties. An adaptive QRS--version (AQRS) is presented which includes an error estimation scheme for choosing this parameter $\delta$ in order to meet a given accuracy requirement. In AQRS $\delta$ is permanently adapted to the solution properties for computing the chemically necessary information'' only. The performance of AQRS is demonstrated in several test problems from the field Laser--Assisted Selective Excitation of Molecules'' in which the external radiation is a picosecond laser pulse. In comparison with standard methods speedup factors of the order of $10^2$ are observed.
    Keywords: ddc:000
    Language: English
    Type: doctoralthesis , doc-type:doctoralThesis
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  • 14
    Publication Date: 2015-06-01
    Description: This article describes the REDUCE package ZEILBERG implemented by Gregor Stölting and the author. The REDUCE package ZEILBERG is a careful implementation of the Gosper (The sum package contains also a partial implementation of the Gosper algorithm.) and Zeilberger algorithms for indefinite, and definite summation of hypergeometric terms, respectively. An expression $a_k$ is called a {\sl hypergeometric term} (or {\sl closed form}), if $a_{k}/a_{k-1}$ is a rational function with respect to $k$. Typical hypergeometric terms are ratios of products of powers, factorials, $\Gamma$ function terms, binomial coefficients, and shifted factorials (Pochhammer symbols) that are integer-linear in their arguments.
    Keywords: ddc:000
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  • 15
    Publication Date: 2014-02-26
    Description: We test the performance of the multicanonical approach for biological molecules. The simulated molecules are frustrated systems with a complicated energy landscape. The resulting slowing down in simulations is alleviated by our ansatz. We perform a multicanonical simulation of nonpolar amino acids and study their $\alpha$-helix propensities. The results are shown to be in agreement with recent experimental results.
    Keywords: ddc:000
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  • 16
    Publication Date: 2014-02-26
    Description: In an array of coupled oscillators {\em synchronous chaos} may occur in the sense that all the oscillators behave identically although the corresponding motion is chaotic. When a parameter is varied this fully symmetric dynamical state can lose its stability, and the main purpose of this paper is to investigate which type of dynamical behavior is expected to be observed once the loss of stability has occurred. The essential tool is a classification of Lyapunov exponents based on the symmetry of the underlying problem. This classification is crucial in the derivation of the analytical results but it also allows an efficient computation of the dominant Lyapunov exponent associated with each symmetry type. We show how these dominant exponents determine the stability of invariant sets possessing various instantaneous symmetries and this leads to the idea of {\em symmetry breaking bifurcations of chaotic attractors}. Finally the results and ideas are illustrated for several systems of coupled oscillators.
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  • 17
    Publication Date: 2020-12-15
    Description: We present new Monte Carlo results in non-compact lattice QED with staggered fermions down to $m_0 = 0.005$. This extends our previous investigations on the nature of the continuum limit of QED.
    Keywords: ddc:000
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  • 18
    Publication Date: 2015-06-01
    Description: The celebrated Zeilberger algorithm which finds holonomic recurrence equations for definite sums of hypergeometric terms $F(n,k)$ is extended to certain nonhypergeometric terms. An expression $F(n,k)$ is called hypergeometric term if both $F(n+1,k)/F(n,k)$ and $F(n,k+1)/F(n,k)$ are rational functions. Typical examples are ratios of products of exponentials, factorials, $\Gamma$ function terms, binomial coefficients, and Pochhammer symbols that are integer-linear with respect to $n$ and $k$ in their arguments. We consider the more general case of ratios of products of exponentials, factorials, $\Gamma$ function terms, binomial coefficients, and Pochhammer symbols that are rational-linear with respect to $n$ and $k$ in their arguments, and present an extended version of Zeilberger's algorithm for this case, using an extended version of Gosper's algorithm for indefinite summation. In a similar way the Wilf-Zeilberger method of rational function certification of integer-linear hypergeometric identities is extended to rational-linear hypergeometric identities. The given algorithms on definite summation apply to many cases in the literature to which neither the Zeilberger approach nor the Wilf-Zeilberger method is applicable. Examples of this type are given by theorems of Watson and Whipple, and a large list of identities (``Strange evaluations of hypergeometric series'') that were studied by Gessel and Stanton. It turns out that with our extended algorithms practically all hypergeometric identities in the literature can be verified. Finally we show how the algorithms can be used to generate new identities. REDUCE and MAPLE implementations of the given algorithms can be obtained from the author, many results of which are presented in the paper.
    Keywords: ddc:000
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  • 19
    Publication Date: 2014-02-26
    Description: We present a set of C++ classes that realize an abstract inexact Gauss Newton method in combination with a continuation process for the solution of parameter dependent nonlinear problems. The object oriented approach allows the continuation of different types of solutions within the same framework. \\{\bf Abstract: }We present a set of C++ classes that realize an abstract inexact Gauss Newton method in combination with a continuation process for the solution of parameter dependent nonlinear problems. The object oriented approach allows the continuation of different types of solutions within the same framework.
    Keywords: ddc:000
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  • 20
    Publication Date: 2014-02-26
    Description: We investigate the behavior of randomized simplex algorithms on special linear programs. For this, we develop combinatorial models for the Klee-Minty cubes and similar linear programs with exponential decreasing paths. The analysis of two randomized pivot rules on the Klee-Minty cubes leads to (nearly) quadratic lower bounds for the complexity of linear programming with random pivots. Thus we disprove two bounds conjectured in the literature. At the same time, we establish quadratic upper bounds for random pivots on the linear programs under investigation. This motivates the question whether some randomized pivot rules possibly have quadratic worst-case behavior on general linear programs.
    Keywords: ddc:000
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  • 21
    Publication Date: 2014-02-26
    Description: We consider nested iterations, in which the multigrid method is replaced by some simple basic iteration procedure, and call them {\em cascadic iterations}. They were introduced by Deuflhard, who used the conjugate gradient method as basic iteration (CCG method). He demonstrated by numerical experiments that the CCG method works within a few iterations if the linear systems on coarser triangulations are solved accurately enough. Shaidurov subsequently proved multigrid complexity for the CCG method in the case of $H^2$-regular two-dimensional problems with quasi-uniform triangulations. We show that his result still holds true for a large class of smoothing iterations as basic iteration procedure in the case of two- and three-dimensional $H^{1+\alpha}$-regular problems. Moreover we show how to use cascadic iterations in adaptive codes and give in particular a new termination criterion for the CCG method.
    Keywords: ddc:000
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  • 22
    Publication Date: 2014-02-26
    Description: The results from invariant theory and the results for semi-invariants and equivariants are summarized in a way suitable for the combination with Gröbner basis computation. An algorithm for the determination of fundamental equivariants using projections and a Poincar\'{e} series is described. Secondly, an algorithm is given for the representation of an equivariant in terms of the fundamental equivariants. Several ways for the exact determination of zeros of equivariant systems are discussed
    Keywords: ddc:000
    Language: English
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  • 23
    Publication Date: 2021-03-16
    Description: We investigate the problem of partitioning the nodes of a graph under capacity restriction on the sum of the node weights in each subset of the partition. The objective is to minimize the sum of the costs of the edges between the subsets of the partition. This problem has a variety of applications, for instance in the design of electronic circuits and devices. We present alternative integer programming formulations for this problem and discuss the links between these formulations. Having chosen to work in the space of edges of the multicut, we investigate the convex hull of incidence vectors of feasible multicuts. In particular, several classes of inequalities are introduced, and their strength and robustness are analyzed as various problem parameters change.
    Keywords: ddc:000
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  • 24
    Publication Date: 2021-03-16
    Description: In this paper we consider the problem of $k$-partitioning the nodes of a graph with capacity restrictions on the sum of the node weights in each subset of the partition, and the objective of minimizing the sum of the costs of the edges between the subsets of the partition. Based on a study of valid inequalities, we present a variety of separation heuristics for so-called cycle, cycle with ears, knapsack tree and path-block-cycle inequalities. The separation heuristics, plus primal heuristics, have been implemented in a branch-and-cut routine using a formulation including the edges with nonzero costs and node variables. Results are presented for three classes of problems: equipartitioning problems arising in finite element methods and partitioning problems associated with electronic circuit layout and compiler design.
    Keywords: ddc:000
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  • 25
    Publication Date: 2014-02-26
    Description: {\def\N{{\mbox{{\rm I\kern-0.22emN}}}} Let a set $N$ of items, a capacity $F \in \N$ and weights $a_i \in \N$, $i \in N$ be given. The 0/1 knapsack polytope is the convex hull of all 0/1 vectors that satisfy the inequality $$\sum_{i \in N} a_i x_i \leq F.$$ In this paper we present a linear description of the 0/1 knapsack polytope for the special case where $a_i \in \{\mu,\lambda\}$ for all items $i \in N$ and $1 \leq \mu 〈 \lambda \leq b$ are two natural numbers. The inequalities needed for this description involve elements of the Hilbert basis of a certain cone. The principle of generating inequalities based on elements of a Hilbert basis suggests further extensions.}
    Keywords: ddc:000
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  • 26
    Publication Date: 2014-02-26
    Description: We compare a few variants of the recently proposed multicanonical method with the well known simulated annealing for the effectiveness in search of the energy global minimum of a biomolecular system. For this we study in detail Met-enkephalin, one of the simplest peptides. We show that the new method not only outperforms simulated annealing in the search of the energy groundstate but also provides more statistical-mechanical information about the system.
    Keywords: ddc:000
    Language: English
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  • 27
    Publication Date: 2014-02-26
    Description: We demonstrate the effectiveness of the multicanonical algorithm for the tertiary structure prediction of peptides and proteins. Unlike to simulated annealing the relationship to the canonical ensemble remains exactly controlled. Hence, the new method allows not only the prediction of the lowest-energy conformation, but also the calculation of thermodynamic quantities at various temperature from one run.
    Keywords: ddc:000
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  • 28
    Publication Date: 2014-02-26
    Description: Die enorme algorithmische Beschleunigung durch diskrete Galerkin-Methoden f{ü}r abz{ä}hlbare Differentialgleichungssysteme hat der Simulation von Polymerisationsprozessen neue, industriell relevante Problembereiche er{ö}ffnet, die mit den bis dahin verf{ü}gbaren Methoden nicht zug{ä}nglich waren.
    Keywords: ddc:000
    Language: German
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  • 29
    Publication Date: 2014-02-26
    Description: Large chemical computations show the need for full adaptivity supporting the development of robust and highly efficient programs. For solutions possessing sharp moving spatial transitions, as travelling wavefronts or emerging boundary and internal layers, an automatic adjustment of both the space and the time stepsize is generally accepted to be more successful in efficient resolving critical regions of high spatial and temporal activity. In contrast to the widespread discretization sequence first space then time the reversed sequence first time then space is employed. Full adaptivity of the proposed algorithm is realized by combining embedded time discretization and multilevel finite element space discretization. In this paper the algorithm is described for one--dimensional problems. The numerical results show the significantly new perspectives opened by this approach.
    Keywords: ddc:000
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  • 30
    Publication Date: 2019-05-10
    Description: An error controlled finite elemente method (FEM) for solving stationary Schrödinger equations in three space dimensions is proposed. The method is based on an adaptive space discretization into tetrahedra and local polynomial basis functions of order $p=1$--$5$ defined on these tetrahedra. According to a local error estimator the triangulation is automatically adapted to the solution. Numerical results for standard problems appearing in vibrational motion and molecular structure calculations are presented and discussed. Relative precisions better than 1e-8 are obtained. For equilateral H$_3^{++}$ the adaptive FEM turns out to be superior to global basis set expansions in the literature. Our precise FEM results exclude in a definite manner the stability or metastability of equilateral H$_3^{++}$ in its groundstate.
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  • 31
    Publication Date: 2020-03-09
    Description: {\def\NP{\hbox{$\cal N\kern-.1667em\cal P$}} The {\sl storage assignment problem} asks for the cost minimal assignment of containers with different sizes to storage locations with different capacities. Such problems arise, for instance, in the optimal control of automatic storage devices in flexible manufacturing systems. This problem is known to be $\NP$-hard in the strong sense. We show that the storage assignment problem is $\NP$-hard for {\sl bounded sizes and capacities}, even if the sizes have values $1$ and~$2$ and the capacities value~$2$ only, a case we encountered in practice. Moreover, we prove that no polynomial time $\epsilon$-approximation algorithm exists. This means that almost all storage assignment problems arising in practice are indeed hard.}
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  • 32
    Publication Date: 2014-02-26
    Description: We consider the numerical treatment of Hamiltonian systems that contain a potential which grows large when the system deviates from the equilibrium value of the potential. Such systems arise, e.g., in molecular dynamics simulations and the spatial discretization of Hamiltonian partial differential equations. Since the presence of highly oscillatory terms in the solutions forces any explicit integrator to use very small step-size, the numerical integration of such systems provides a challenging task. It has been suggested before to replace the strong potential by a holonomic constraint that forces the solutions to stay at the equilibrium value of the potential. This approach has, e.g., been successfully applied to the bond stretching in molecular dynamics simulations. In other cases, such as the bond-angle bending, this methods fails due to the introduced rigidity. Here we give a careful analysis of the analytical problem by means of a smoothing operator. This will lead us to the notion of the smoothed dynamics of a highly oscillatory Hamiltonian system. Based on our analysis, we suggest a new constrained formulation that maintains the flexibility of the system while at the same time suppressing the high-frequency components in the solutions and thus allowing for larger time steps. The new constrained formulation is Hamiltonian and can be discretized by the well-known SHAKE method.
    Keywords: ddc:000
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  • 33
    Publication Date: 2014-02-26
    Description: We investigate the generating sets (``Gröbner bases'') of integer lattices which correspond to the Gröbner bases of the associated binomial ideals. Extending results in Sturmfels and Thomas, preprint 1994, we obtain a geometric characterization of the universal Gröbner basis in terms of the vertices and edges of the associated corner polyhedra. We emphasize the special case where the lattice has finite index. In this case the corner polyhedra were studied by Gomory, and there is a close connection to the ``group problem in integer programming'' Schrijver, p.~363. We present exponential lower and upper bounds for the size of a reduced Gröbner basis. The initial complex of (the ideal of) a lattice is shown to be dual to the boundary of a certain simple polyhedron.
    Keywords: ddc:000
    Language: English
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  • 34
    Publication Date: 2014-02-26
    Description: We consider periodic orbits of autonomous parameter dependent ODE's. Starting from a shooting algorithm for the numerical computation of periodic orbits via an adaptive Poincar\'e-section we develop a pathfollowing algorithm for periodic solutions based on a tangential continuation method with implicit reparametrization. For ODE's equivariant w.r.t. a finite group we show that spatial as well as spatio-temporal symmetries of periodic orbits can be exploited within the (multiple) shooting context. We describe how turning points, period doubling bifurcations and Hopf points along the branch of periodic solutions can be handled. Furthermore equivariant Hopf points and generic secondary bifurcations of periodic orbits with $ Z_m$-symmetry are treated. We tested the code with standard examples, e.g., the period doubling cascade in the Lorenz equations. To show the efficiency of the described methods we also used the program for an application from electronics, a ring oscillator with $n $ inverters. In this example the exploitation of symmetry reduces the amount of work for the continuation of periodic orbits from ${\cal O}(n^2)$ to ${\cal O}(n)$
    Keywords: ddc:000
    Language: English
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  • 35
    Publication Date: 2015-06-01
    Description: In this article algorithmic methods are presented that have been incorporated in computer algebra systems in the last five years. The methods can be used to identify transcendental functions. The essential idea due to Zeilberger is to represent the functions by systems of holonomic differential and recurrence equations, and the identification procedure utilizes algorithms of Stanley and Zeilberger. Also a noncommutative version of the Buchberger algorithm can be applied.
    Keywords: ddc:000
    Language: German
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  • 36
    Publication Date: 2014-02-26
    Description: In this paper we modify Buchberger's $S$-pair reduction algorithm for computing a Gröbner basis of a toric ideal so as to apply to an integer program in inequality form with fixed right hand sides and fixed upper bounds on the variables. We formulate the algorithm in the original space and interpret the reduction steps geometrically. In fact, three variants of this algorithm are presented and we give elementary proofs for their correctness. A relationship between these (exact) algorithms, iterative improvement heuristics and the Kernighan-Lin procedure is established.
    Keywords: ddc:000
    Language: English
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  • 37
    Publication Date: 2014-02-26
    Description: Adopting a statistical approach for the computation of turbulent combustion flows an approximation for the probability density function (PDF) of the composition variables is often required to treat the highly non-linear reaction term in a satisfactory way. One class of methods currently being used are the moment methods which employ transport equations for low order statistical moments and use a parametrized shape of the PDF. A second class solves a transport equation for the joint PDF by a Monte Carlo method. In the present paper we develop an intermediate algorithm based on a Galerkin method for the PDF transport equation. The solution is developed in terms of an orthogonal or bi-orthogonal basis of a suitable Hilbert space. The unconventional use of the related weight function as a prefactor (moving weight approach) permits adaptivity and results in a generalization of the $\beta-$closure for bounded scalar quantities. We present the approximation procedure in detail and apply it to the evolution of the composition in a homogeneous well-stirred reactor. The extension to non-homogeneous flow simulations is straightforward.
    Keywords: ddc:000
    Language: English
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  • 38
    Publication Date: 2014-02-26
    Description: Combinatorial optimization problems pervade many areas of human problem solving especially in the fields of business, economics and engineering. Intensive mathematical research and vast increases in raw computing power have advanced the state of the art in exact and heuristic problem solving at a pace that is unprecedented in human history. We survey here in layman's terms some of the fundamental concepts and principles that have led this progress. (This article will appear -- possibly in modified form -- in a popular science magazine.)
    Keywords: ddc:000
    Language: English
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  • 39
    facet.materialart.
    Unknown
    Publication Date: 2014-02-26
    Description: {\def\N{{\mbox{{\rm I\kern-0.22emN}}}} Given a set $N$ of items and a capacity $b \in \N$, and let $N_j$ be the set of items with weight $j$, $1 \leq j \leq b$. The 0/1 knapsack polytope is the convex hull of all 0/1 vectors that satisfy the inequality $$\sum_{j=1}^b \sum_{i \in N_j} jx_i \leq b.$$ In this paper we first present a complete linear description of the 0/1 knapsack polytope for two special cases: (a) $N_j = \emptyset$ for all $1 〈 j \leq \lfloor {b \over 2} \rfloor$ and (b) $N_j = \emptyset$ for all $1 〈 j \leq \lfloor {b \over 3} \rfloor$ and $N_j = \emptyset$ for all $j \geq \lfloor {b \over 2} \rfloor + 1$. It turns out that the inequalities that are needed for the complete description of these special polytopes are derived by means of some ``reduction principle''. This principle is then generalized to yield valid and in many cases facet defining inequalities for the general 0/1 knapsack polytope. The separation problem for this class of inequalities can be solved in pseudo polynomial time via dynamic programming techniques.}
    Keywords: ddc:000
    Language: English
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  • 40
    Publication Date: 2014-02-26
    Description: In the field of deep regional hyperthermia, one of the most widely used devices is the BSD--2000 Hyperthermia System which employs the Sigma 60 applicator. The Sigma 60 consists of four independent sources, giving it the potential to control the energy pattern within the patient. The independent amplitudes and phases, as well as frequency selection and applicator position, present a large number of parameters for the operator to determine. Computer simulation has long been recognized as an attractive approach to optimizing these parameters. A treatment planning program was used in clinical practice at Stanford University Medical Center for two years. It demonstrated the feasibility of computer simulation for deep regional hyperthermia in a clinical situation. However, several parts of this system were written in a language specific to one workstation, which severely restricted the wider distribution of the program to other users of the Sigma 60. A new treatment planning system for the BSD 2000 has been developed and put into clinical practice at the Rudolf Virchow Clinic of the Free University of Berlin. The new method, which we will refer to as the Berlin system, has a simpler model construction program and a considerably better graphics capability. However, the most important feature is that all programs are written in FORTRAN, C, or the X Window graphics system. Therefore, the entire treatment planning system is completely portable to other workstations.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 41
    Publication Date: 2014-02-26
    Description: In this paper we describe several versions of the routing problem arising in VLSI design and indicate how the Steiner tree packing problem can be used to model these problems mathematically. We focus on switchbox routing problems and provide integer programming formulations for routing in the knock-knee and in the Manhattan model. We give a brief sketch of cutting plane algorithms that we developed and implemented for these two models. We report on computational experiments using standard test instances. Our codes are able to determine optimum solutions in most cases, and in particular, we can show that some of the instances have no feasible solution if Manhattan routing is used instead of knock-knee routing.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 42
    Publication Date: 2014-02-26
    Description: The aim of this paper is to compute all isolated solutions to symmetric polynomial systems. Recently, it has been proved that modelling the sparse structure of the system by its Newton polytopes leads to a computational breakthrough in solving the system. In this paper, it will be shown how the Lifting Algorithm, proposed by Huber and Sturmfels, can be applied to symmetric Newton polytopes. This symmetric version of the Lifting Algorithm enables the efficient construction of the symmetric subdivision, giving rise to a symmetric homotopy, so that only the generating solutions have to be computed. Efficiency is obtained by combination with the product homotopy. Applications illustrate the practical significance of the presented approach.
    Keywords: ddc:000
    Language: English
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  • 43
    Publication Date: 2014-02-26
    Description: In this paper we describe the convex hull of all solutions of the integer bounded knapsack problem in the special case when the weights of the items are divisible. The corresponding inequalities are defined via an inductive scheme that can also be used in a more general setting.
    Keywords: ddc:000
    Language: English
    Type: reportzib , doc-type:preprint
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  • 44
    Publication Date: 2022-04-11
    Description: Die Kombination von elektronischer Fachinformation mit den neuen Mitteln der Kommunikation eröffnet neue Perspektiven für die Mathematik in Deutschland. Aufbauend auf das laufende, BMFT-geförderte Projekt ``Fachinformation'' der Deutschen Mathematiker-Vereinigung (DMV) plant die DMV eine Querschnittsaktivität für die Mathematik. Diese soll nicht nur die mathematischen Fachbereiche und Forschungsinstitute einbeziehen, sondern auch mathematische Forschungslabors aus der Industrie und die Informationsversorger der Mathematik, insbesondere die wissenschaftlichen Verlage, die TIB Hannover, die Bibliotheken der Universitäten und \mbox{-- nicht zuletzt --} das FIZ Karlsruhe mit dem Zentralblatt für Mathematik. \noindent Auf der technischen Grundlage des Internet und seiner weltweit verbreiteten Informationsdienste (Gopher, WAIS, WorldWideWeb, Hyper-G, ftp und E-mail) soll ein verteiltes, mathematisches Informationssystem geschaffen werden, bei dem die Partner des gemeinsamen Vorhabens ihre örtlichen Ressourcen untereinander und zugleich weltweit verfügbar machen. Diese Ziele sind durch konsequenten Einsatz von Software erreichbar, die nach dem Client-Server-Modell strukturiert und die im Internet verbreitet bzw.~anerkannt ist. \noindent Die Bereitstellung von Technik reicht keineswegs aus. Ohne die Schaffung einer personellen, organisatorischen und technischen Infrastruktur ist die Durchführung eines solchen Projekts nicht möglich. Als Massnahmen sind - für alle Partner - geplant: \hspace*{2mm} * Schaffung der Funktion des Informationsbeauftragten \hspace*{2mm} * Einrichtung eines gemeinsamen ``Forums für mathematische Information'' \hspace*{2mm} * Errichtung und Betreuung von mathematischen Informationsstationen \hspace*{2mm} * Teilnahme an nationalen und internationalen Standardisierungsmassnahmen \hspace*{2mm} * Workshops und regelmässige Schulungen, Öffentlichkeitsarbeit \noindent Als Aktivitäten - mit Focus auf mathematische Fachinformation - sind folgende Teilaufgaben und Pilotvorhaben bei allen Partnern geplant: \hspace*{2mm} * Einrichtung von elektronischen Informationssystemen \hspace*{2mm} * Verteiltes elektronisches Angebot von Preprints und Skripten (Volltexte) \hspace*{2mm} * Verteiltes elektronisches Angebot von Software- und Datensammlungen \hspace*{2mm} * Zugriff auf globale Informationssysteme in der Mathematik \hspace*{2mm} * Organisation eines Lebenden Mathematischen Museums \hspace*{2mm} * Zugriff auf elektronische Kataloge von Bibliotheken, insbesondere Fachbereichsbibliotheken \hspace*{2mm} * Schaffung eines organisatorischen Rahmens für elektronische mathematische Journale \hspace*{2mm} * Elektronisches Angebot von eingescannten historischen Dokumenten und Büchern \hspace*{2mm} * Schaffung einer Organisationsform für elektronisches Reviewing \hspace*{2mm} * Erprobung von Verfahren zur elektronischen Lieferung von Dokumenten \hspace*{2mm} * Elektronische Projektorganisation \noindent Das Vorhaben zielt ab auf die Schaffung einer informationstechnischen Infrastruktur für Datenbank-Retrieval, E-mail, ``Electronic Conferencing'' und fachspezifische Informationsnetze in exemplarischer Form für Wissenschaft und Industrie - auch für andere Fachgebiete.
    Keywords: ddc:000
    Language: German
    Type: reportzib , doc-type:preprint
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  • 45
    Publication Date: 2022-04-11
    Description: \begin{footnotesize} \noindent Combining electronic specialized information, such as electronic information retrieval from central databases, with the new means of communication opens up new perspectives for mathematics in Germany. Based on the current Fachinformationsprojekt (Specialized Information Project) run by the Deutsche Mathematiker-Vereinigung (DMV) and supported by the Federal Minister for Research and Technology (BMFT), the DMV is planning a new infrastructure activity for mathematics. This activity will not only include mathematical university departments and research institutes, but also partners from mathematical research laboratories in industry as well as suppliers of mathematical information, in particular, scientific publishing houses, the Technical Information Library (TIB) Hannover, university libraries and -- last but not least -- the Fachinformationszentrum (FIZ) Karlsruhe with the Zentralblatt für Mathematik. \noindent On the technical basis of the Internet and its worldwide information services (Gopher, WAIS, World Wide Web, Hyper-G, ftp and e-mail), a distributed mathematical information system is to be created, whose partners make their local resources available both to other partners and to the worldwide Internet community. These aims can be achieved by means of the consequent use of software that is structured according to the client-server model and distributed and accepted within the Internet. \noindent Providing the technical equipment, however, is by far not enough. Without the creation of a personal, technical and organizational infrastructure, realization of such a project will not be possible. For every partner the realization of the following measures is envisaged:\\[-7mm] \noindent \end{footnotesize} \begin{small} \begin{itemize} \item[*] Establishing an Information Coordinator\/ at every participating institution\\[-8mm] \item[*] Creation of a Forum for Mathematical Information\/\\[-8mm] \item[*] Installation and maintenance of Mathematical Information Stations\/\\[-8mm] \item[*] Participation in national and international Standardization Activities\/\\[-8mm] \item[*] Regular workshops and training courses, public relations\\[-7mm] \end{itemize} \noindent The following activities (carried out by all partners or within pilot projects by special groups) focusing on mathematical and mathematics-related information are planned:\\[-7mm] \noindent \begin{itemize} \item[*] Set up of Electronic Information Systems\/ by all partners \\[-8mm] \item[*] Distributed\/ electronic offer of Preprints\/ and scripts (full texts) by all partners\\[-8mm] \item[*] Distributed\/ electronic offer of Software and Data Collections\/ by all partners\\[-8mm] \item[*] Access to Global Information Systems in Mathematics\/\\[-8mm] \item[*] Organization of a Living Museum of Mathematics\/\\[-8mm] \item[*] Access to {\it Electronic Library Catalogs,}\/ esp.~to libraries of university departments\\[-8mm] \item[*] Electronic offer of Scanned Historical Books and Documents\/\\[-8mm] \item[*] Creation and management of Electronic Mathematical Journals\/\\[-8mm] \item[*] Creation of a framework for various kinds of Electronic Reviewing\/\\[-8mm] \item[*] Testing of new methods for Electronic Document Delivery\/\\[-8mm] \item[*] Electronic Project Organization\/\\[-7mm] \end{itemize} \noindent \end{small} \begin{footnotesize} The project aims, at its beginning, at the creation of an information infrastructure for database retrieval, e-mail, electronic conferencing and subject-specific information networks. Its focus is on mathematics in Germany. The general scope, however, is broader. The project is open for discussion, coordination, and cooperation with partners in other areas of science, industry or in other countries. It is also hoped that this project may form an example along which other models of electronic information and communication can be developed. Moreover, the project is also meant to enhance the offer from German mathematics to the worldwide "give and take" within the Internet community. \end{footnotesize}
    Keywords: ddc:000
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  • 46
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 6-11 
    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 new class of materials based on a spirodilactam structure has been recently synthesized as part of research into new polymeric materials. Not only is the spirodilactam structure novel, but it was not even the intended product in the synthesis as originally designed. The polymerization process discovered by the reaction of 4-ketopimelic acid or its corresponding spirodilactone with primary amines opened a new field of polysprodilactam chemistry. This paper describes the chemistry leading to the discovery of spirodilactam-based polymers and initial applications in the area of thermoplastics and thermosets. Most recent developments to be covered include aromatic spirodilactams and isomeric spirodilactams.
    Additional Material: 1 Tab.
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  • 47
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 12-16 
    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: Spirodilactam bisallylether is a new high temperature performance monomer. It melts at 154°C, and is thermally inactive in forming a homopolymer. However, it reacts readily with a bismaleimide via “ene” reaction. Therefore, it could be used as a comonomer and an effective toughening modifier for bismaleimide. The properties of the blends of spirodilactam bisallylether and 4,4'-bismaleimidodiphenyl-methane were studied. The cocured resins have high glass transition temperature, 〉 300°C. By adding 30 to 40 mole % of the bisallylether, the compact tension toughness of the bismaleimide was improved to 0.7 MPa-m1/2. Therefore, the resins have a combination of high glass transition temperature and toughness. They also showed good flexural properties. Despite the high water absorption, 5 to 7%, the resins retained high hot/wet flexural properties because of the high glass transition.
    Additional Material: 3 Ill.
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  • 48
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 59-68 
    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: Four immiscible blend systems, styrene-maleic anhydride/styrene-acrylonitrile (SMA/SAN). styrene-maleic anhydride/acrylonitrile-butadiene-styrene (SMA/ABS), poly(vinylidene fluoride)/SAN (PVF2/SAN), and PVF2/ABS, were investigated. The effect of adding up to about 10 wt% of a third polymer that is miscible with each blend component, poly(methylmethacrylate) (PMMA), was determined. In every case, the addition of PMMA led to the improvement of properties such as tensile strength, tensile elongation, and notched impact strength. Furthermore, the addition of PMMA resulted in finer, more uniform dispersions of the primary blend components. The experimental results are interpreted in terms of interfacial activity of the common phase component, PMMA.
    Additional Material: 13 Ill.
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  • 49
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 81-85 
    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: Differential scanning calorimetry (DSC) was used to investigate the solid-state cure process of poly(phenylene sulfide)(PPS) resin. Virgin PPS resin in an open sample pan was cured in DSC cell. Either air or oxygen was used as a curing atmosphere. Cure temperatures were in the range of 200 and 250 °C, which are below the melting point of PPS resin. Cure temperature as well as atmospheric condition influenced the cure behavior of PPS in the solid state. Both the rate and the amount of cure increased with increasing cure temperature. On the other hand, the time to reach the maximum cure rate was independent of cure temperature. Changing the atmosphere from air to oxygen increased both the cure rate and the amount of cure. The size effect of PPS particles on the cure reaction was also discussed.
    Additional Material: 9 Ill.
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  • 50
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 109-115 
    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: Slow crack growth was measured in the perpendicular and parallel directions relative to the extrusion direction of the pipe. For five pipes from different manufacturers, the anisotropy factor, the lifetime to fracture in the perpendicular direction divided by lifetime in the parallel direction, varied from 1.2 to 4.7 for complete fracture and 1.4 to 4.0 for crack initiation. The degree of molecular orientation was determined by measuring the shrinkage that occured when a pipe specimen was heated near its melting point. The amount of shrinkage correlated with the anisotropy factor for slow crack growth. The shape change after shrinkage was related to the flow pattern of the resin during extrusion and the cooling rate after extrusion.
    Additional Material: 9 Ill.
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  • 51
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 135-140 
    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 complex Young's modulus, E*(ω), and the complex strain-optical coefficient, O*(ω), of poly(ether sulfone) (PES), polysulfone (PSF), and polyethermide (PEI), were measured over the frequency range 1 to 130 Hz. The data were analyzed with a modified stress-optical rule: The Young's modulus was decomposed into two complex functions, EG*(ω) and ER*(ω); the modified stress-optical coefficient, CR and CG, associated with the rubber (R) and glass (G) components, respectively, were determined. The results for six polymers, including polystyrene, poly(α-methyl styrene), and bisphenol A polycarbonate were compared with each other. One of the coefficients, CR, equivalent to the stress-optical coefficient in melts, mainly depended on the way in which phenyl groups were connected to the chain. The other, CG, was in the range of 20 to 40 Brewsters, and did not strongly depend on the details of polymer structure. The component function, EG*(ω), which was located in the glassy region and originated from the high glassy modulus, was almost the same in shape when plotted against ω with double logarithmic scales. The R component, ER*(ω), located at the long time end of the glass-to-rubber transition zone, was slightly sensitive to the molecular structure of polymers.
    Additional Material: 5 Ill.
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  • 52
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 159-165 
    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: While there is abundant evidence that the molecular weight distribution (MWD) of a linear polymer has an influence on the shape of the viscosity function, the ability to convert the viscosity function to an MWD has been questioned. Using strictly numerical techniques, we have shown that the viscosity function can be transformed to the MWD, but always with some distortion. However, distinct bimodality can be qualitatively preserved through both the MWD-viscosity and viscocity-MWD transforms.
    Additional Material: 10 Ill.
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  • 53
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 169-173 
    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 microcellular plastics, an unfoamed skin that is integral with the foamed core can be created by allowing the nucleating gas to diffuse from the surfaces of a gas saturated specimen prior to foaming. In this paper, a semi-empirical model is proposed that predicts the skin thickness variation in microcellular foams as a function of gas desorption time. The model shows good agreement with experimental results on the polycarbonate-carbon dioxide system.
    Additional Material: 7 Ill.
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  • 54
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 174-189 
    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 present paper proposes “Deformation Characteristics” (DC) as a new deformation measure of screw extrusion processes, based on the Green deformation tensor. In contrast to previous strain measures heuristically proposed by Mohr, et al., Mckelvey, and Pinto and Tadmor, the new DC can naturally incorporate the demixing phenomena and systematically take into account the three-dimensional circulatory flow with the screw flight effect. Therefore, DC can be regarded as an improved strain measure. “Weighted Average Deformation characteristics” (WADC) is also proposed to indicate the overall deformation characteristics as a quantitative measure to the “goodness of mixing” of the extrusion process. The present paper includes discussion on delicate differences between DC and several other strain measures in case of the two-dimensional velocity approximation, and on the application of DC into a general three-dimensional velocity field obtained by a quasi-three-dimensional finite element analysis of extrusion processes. In determining WADC in the three-dimensional application, the residence time distribution function, including the three-dimensional circulatory flow effect, is used.
    Additional Material: 15 Ill.
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  • 55
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 229-237 
    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: Non-isothermal flow is simulated in the screw and kneading disc elements in a modular co-rotating twin screw extruder. Methods of calculating mean temperature rises for individual elements are discussed and results are presented. The implications of non-isothermal operation for scale-up is discussed. A method is then described for making calculations in a modular co-rotating machine, that contains many different elements. Example calculations are given showing the tendency of larger machines to buildup greater temperatures when viscous heating is included.
    Additional Material: 5 Ill.
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  • 56
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 221-228 
    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 study of the influence of a compatibilizing agent on phase morphology development in a 75/25 polyethylene/polyamide-6 blend in a modular co-rotating twin screw extruder is presented. The development of phase morphology along the axis of the modular screw was observed by cooling the extruder and removing the polymer from the screw channels. Changes in phase morphology due to the addition of a compatibilizer have been investigated using scanning electron microscopy. Sufficient quantities of compatibilizing agent produce significant increases in the rate of mixing and also reduce the scale of the phase morphology. Much larger quantities (5%) than actually required for interface coverage are needed for rapid mixing. This seems to be due to the high viscosity of the matrix.
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  • 57
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 251-251 
    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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  • 58
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994) 
    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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  • 59
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 260-265 
    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: Penrose states that quantum effects can occur even in relatively large systems when energy differences remain small. This is just the situation with polymer materials. A quantum description by Penrose of the formation of quasi-crystals can be rewritten to apply to polymer crystallization. The implications of the need to take account of quantum effects are discussed. Another approach based on the quantization of energy levels in clusters of atoms offers a possible explanation of heat setting in nylon and polyester fibers. Finally some problems of the interpretation of quantum theory are discussed.
    Additional Material: 1 Ill.
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  • 60
    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 novel approach to a truly dynamic thermodynamics is proposed in which equilibrium is defined in terms of explicit time, distance, and acceptable error scales. This approach involves reformulating the second law of thermodynamics in terms of an excess energy that vanishes at equilibrium instead of an entropy that assumes some unknown maximum value. Excess energy is defined mathematically as the total Legendre transform of energy with respect to an independent set of extensive variables. Excess energy is effectively the free energy functional of a nonequilibrium system and is a function of the time, distance, and acceptable error scales. Elimination of entropy from thermodynamics requires recognizing temperature as a thermal stress, proportional to the antimetric component of the stress tensor that is neglected when one assumes the validity of Cauchy's second law of motion. The inclusion of temperature as part of the stress-strain couple completes the science of thermomechanics and opens the way for a practical unification of chemistry and physics in strictly mechanical terms.The last sentence of the abstract shows how high the goals that Lindem meyer set for himself were. I personally do not agree with the idea that mechanics is the queen of all sciences, and that given deep enough probing one could achieve “a practical unification of chemistxy and physics in strictly mechanical terms”; for instance, electromagnetism has full citizenship's rights in physics, and it is hard to conceive that it could be reduced to mechanics.
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  • 61
    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 strength of two paper-polypropylene-paper laminates used for electrical power transmission cable insulation has been measured using a peel test after a variety of conditionings that simulate the service thermal stress conditions. Immersion in dielectric oil at 23°C causes little decrease in peel strength, but heating in the oil at 90°C causes a rapid initial loss followed by a slow loss of strength. Cyclic and static heating show that cyclic fatigue is not a factor as the initial loss of strength occurs in a time comparable to the first two test cycles and further heating causes much less loss of strength. Tensile and compressive stresses resulting from cable winding have no effect on the loss of bond strength during heating in oil. Vacuum drying of the laminate and oil (as in cable manufacture) before heating results in less decrease in peel strength than heating without prior drying. Optical and electron microscopy show minimal wetting of the paper fibrils by the polypropylene with only a few having been either normal to or at a steep angle to the polypropylene surface. That is, the fibrils appear to be parallel to the interface and only partially immersed in the polypropylene. Micrographs show little, if any, differences between the interfaces on the two sides as well as little paper on the polypropylene after delamination and vice versa. It is suggested that the bonding mechanism is a combination of weak mechanical interlocking and secondary bonds. It is also suggested that swelling of the polypropylene relative to the paper by the dielectric oil at 90°C weakens the interfacial bond.
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  • 62
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    Polymer Engineering and Science 34 (1994), S. 290-300 
    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: Variations of stress with temperature for stretched networks of trans-polyisoprene networks in the crystallization region are reported. Such profiles are characteristically U-shaped with the stress at lower temperatures often climbing to high levels. Valley widths of the profiles narrow as annealing temperature increases to about 50°C, then widen at yet higher temperatures. The degree of crystallization at 22°C is 37% and independent of deformation and annealing temperature. The β crystal form is overwhelmingly present with traces of other crystal forms appearing only at high deformations. The theory of stress-induced crystallization provides a good description of experimental results provided the nucleation parameter σ is dependent upon deformation. Therefore, the data provide good qualitative support for the theory in its current form.
    Additional Material: 15 Ill.
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  • 63
    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: Polyalkylenebenzoxazoles of high molecular weight (inherent viscosity values from 0.76 to 2.95) were prepared from 4,6-diaminoresorcinol dihydrochloride and aliphatic diacids in polyphosphoric acid by heating at 180 to 200°C for 3-5 h. Melting points of the polymers ranged from 148 to 423°C, depending on the length of the alkylene chain. Glass transition temperatures were relatively low, ranging from 50 to 100°C and did not show the pronounced odd/even effect noted for melting points. In all cases, rapid weight loss occurred above 400°C. No evidence for the formation of a molecular composite was observed in an attempt to prepare in situ a rod-like polybenzoxazole in a polyalkylenebenzoxazole.
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  • 64
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994) 
    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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  • 65
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    Polymer Engineering and Science 34 (1994), S. 93-101 
    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: Low levels of oligomer molecules are generally desirable in polymeric materials. It is known that several reactor variables can affect the oligomer distribution, and therefore it is useful to have predictive models for molecular weight distribution. The normal approach of a differential equation-based model is very complex to set up if it is applied rigorously to include all the non-Flory aspects of the step growth polycondensation and in particular the interfacial polycarbonate polymerization. In this paper, simple methods based on the Monte Carlo method and Stockmayer distribution are applied to simulate the effects of mass-transfer, unequal reactivity, and the starting stoichiometry of the polycondensing functional groups on the oligomer distribution. It is shown that these parameters can have a significant effect on the oligomer weight distribution and polydispersity of the final polymer.
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  • 66
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    Polymer Engineering and Science 34 (1994), S. 308-317 
    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 true crystallite modulus of polyoxymethylene (POM) was evaluated experimentally and thoeretically as a function of temperature. The mechanical deformation mechanism of POM was lattice-dynamically predicted and confirmed by measuring the stress-induced vibrational frequency shifts of the infrared and Raman spectra, which were interpreted on the basis of anharmonic potential field.
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  • 67
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    Polymer Engineering and Science 34 (1994), S. 141-152 
    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 ultra-high strength/modulus, extended chain polyethylene fiber (Spectra® fiber) composite has shown great potential as a lightweight armor material with its extraordinary capability of absorbing the kinetic energy of projectiles. But the relatively low melting point of this fiber (∼ 145°C) has caused concerns regarding the effect of temperature rise during the impact/penetration process on the performance as armor material. In this article, an analysis of temperature rise in projectile and the fiber composite during the impact/penetration process is described. Combining the simulation of impact deformation by finite element analysis and the simulation of temperature rise by a finite difference approximation of the related dynamic equations, the temperature rise caused by the projectile/composite interaction was estimated. Results show that there is a significant temperature rise at the projectile/composite interface due to the friction but that the short length of time involved in the process and the low thermal conductivity of Spectra fiber composite keep the temperature rise in a very small region (in the order of 0.001 cm) around the interface during the impact/penetration process. Consequently, the volume that is affected by the temperature rise is very small, in the order of total 0.001 cm3 around the projectile, and this is too small to generate any detectable effect on the armor performance. After the projectile is stopped, however, substantial heating of fiber composite can occur under specific conditions as the result of heat flow from the hot projectile embedded in the composite. This heating of fibers, however, is a postmortem effect and hence inconsequential to the ballistic performance of the composite armor.
    Additional Material: 11 Ill.
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  • 68
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994) 
    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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  • 69
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    Polymer Engineering and Science 34 (1994), S. 190-200 
    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 mathematical model of a polycondensation reactor that can be used in the final stage for poly(ethylene terephthalate) (PET) is established and compared with experimental data obtained from a laboratory scale reactor with film renewal. Detailed side reactions are considered along with the diffusional removal of the small molecules through thin film. Among several kinetic constants, the polycondensation reaction rate constant k1(= k8) and diester group degradation reaction rate constant k7 have an influence over the degree of polymerization. The values of k1(= k8) and k7 for 0.05 wt% Sb2O3 were obtained as curve-fit values: (1) k1(= k8) = 3.4 × 106 exp(- 18.500/RT′) (L/mol-min); (2) k7 = 1.3 × 1011 exp(- 37,800/RT′) (min-1). Effects of the film exposure time, reduced pressure of vacuum, temperature, the initial terephthalic acid (TPA)/ethylene glycol (EG) mole ratio, the initial degree of polymerization, and catalysts were well explained by the model.
    Additional Material: 12 Ill.
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  • 70
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    Polymer Engineering and Science 34 (1994), S. 209-212 
    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: Entrance pressure losses for the creeping flow of a power-law fluid are calculated for an abrupt contraction of ratio 2, 4, 8 and ∞ for both the axisymmetric and planar cases using P2P1 and P+2P1 finite elements. Contrary to some earlier findings in the literature, the entrance pressure loss obtained by using the two different types of finite elements, both of which satisfy the Babus̆ka-Brezzi condition, are found to converge to the same results. The present results also confirm that the variational method of Duda and Vrentas gives excellent upper bounds for both the axisymmetric and planar cases with infinite contraction ratio.
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  • 71
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    Polymer Engineering and Science 34 (1994), S. 405-413 
    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 curing of epoxy-amine polymer has been modeled by the reaction of functional groups, and the mole balance of these is governed by a set of six nonlinear differential equations. In this work, we have first developed a complete analytical solution for isothermal curing. For nonisothermal curing, we have divided the domain of hydroxyl group concentration β into small increments Δβ and adopted our analytical results for this domain. In addition, we solved the energy balance equation analytically and obtained the temperature rise for Δβ. We have compared our results with those obtained from the Runge Kutta numerical solutions. We have shown that our semianalytical technique is about a thousand times more efficient and faster.
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  • 72
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    Polymer Engineering and Science 34 (1994), S. 513-518 
    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 shear test is proposed as a complement to the tensile test in order to characterize the short time mechanical behavior of thermoplastic polymers. The proposed test geometry makes the test easy to perform and to evaluate and gives relevant information about anisotropy, plastic deformation, crack initiation, and propagation properties. Three different materials have been tested and the results are discussed.
    Additional Material: 5 Ill.
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  • 73
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    Polymer Engineering and Science 34 (1994), S. 500-506 
    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: Material property models for poly(etheretherketone) (PEEK) have been combined with a residual stress model to provide a means for investigating the effect of crystallization process on the residual stress development in semicrystalline materials. The analysis shows that crystallization causes an increase in the residual stress levels. This increase is affected through an increase in the resin modulus values and through the resin modulus build-up at higher temperatures. The shrinkage due to crystallization was found to have no effect on the residual stress development in neat PEEK.
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  • 74
    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: Temperature sweeps of dynamic viscoelastic properties have shown that phydroxybenzoic acid (PHB)-based liquid crystalline polyesters, specifically in this case those copolymerized with poly(ethylene terephthalate) (PET), can be subjected to considerable supercooling if initial heating curves are compared to subsequent cooling curves, indicating that this type of material can be in quite different states even at the same temperature, depending on thermal history. Utilizing this supercooling behavior, viscoelastic properties of a 60 mol% PHB/40 mol% PET material produced by Unitika were monitored before and, particularly, after large-scale shear deformation to determine how potential structure changes induced by the shear are reflected in viscoelastic properties immediately, and with time. According to dynamic viscoelastic temperature sweep data four quite different initial states were employed including conditions with, as well as largely free of, crystallites. However, in all cases, post-shear monitoring showed decreased G′ and G″ values with almost no evidence of return towards initial values within approximately 25 min. These results, in addition to furthering somewhat the fundamental understanding of the flow and relaxation properties of liquid crystalline polymers, may be useful in polymer processing, where large-scale shear deformations employed in forming processes appear to be capable of changing considerably the subsequent behavior of such materials.
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  • 75
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    Polymer Engineering and Science 34 (1994), S. 507-512 
    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 thermodynamic model was proposed to correlate the phase behavior of a swelling polymeric gel (vinyl alcohol-sodium acrylate copolymer) and the volume phase transition in alcohol (methanol, ethanol or propanol)-water solutions. The model is based on the Flory-Huggins formula for polymer solution coupled with the osmotic pressure by rubber elasticity proposed by Flory. The volume change behavior and the equilibrium concentrations inside and outside the gel were successfully correlated using the present model.
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  • 76
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    Polymer Engineering and Science 34 (1994), S. 528-531 
    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: Terpolymerization was investigated by dilatometry for zincacrylate (ZnA2), acrylonitrile (AN), and styrene (St), radically initiated by a As2S3-styrene complex (I) in dimethyl sulphoxide (DMSO), at 90 ± 0.1°C for 1 h under inert atmosphere. The system follows non-ideal kinetics, due to primary radical termination as well as a degradative chain transfer reaction. The kinetic expression for the system is Rpα(I)0.27 (St)0.31 (AN) 0.22[ZnA2]0.12. The value for the activation energy and kp2/kt are 55 kJ mol-1 and 1.87 × 10-7 1 mol-1 s-1 respectively. The terpolymer has been characterized by IR and NMR spectroscopy. The thermal stability and solubility of the terpolymer have also been studied.
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  • 77
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994) 
    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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  • 78
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    Polymer Engineering and Science 34 (1994), S. 551-558 
    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: The intermeshing counterrotating twin screw extruder is widely used for compounding, devolatilization, blending, and reactive extrusion. A fluid dynamics analysis package-FIDAP, using the finite element method, was implemented to simulate the 3-D flow patterns in the region of conveying elements and shearing discs of a Leistritz LSM30.34 twin screw extruder. The rheological behavior of the fluid was described by a power law model. The flow fields were characterized in terms of velocity profiles, pressure distributions, shear stresses generated, and a parameter λ quantifying the elongational flow components. The influence of screw rotational speed and axial pressure difference on the flow characteristics was also analyzed. A comparison between the flow characteristics in the shearing discs operated in a corotating or counterrotating mode was also presented.
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  • 79
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    Polymer Engineering and Science 34 (1994), S. 532-540 
    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 phase distribution and evolution of the heterogeneous (suspension) polymerization of vinyl chloride is presented. Experimental information on pressure, temperature, and conversion has been obtained from a 34 liter bench reactor reproducing reaction conditions and product properties typical of industrial operation. A calculation procedure based on simple plant data is proposed for the description of the phase compositions and their evolution over the entire process. Results based on classical Flory-Huggins theory of solutions are presented and compared with existing data.
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  • 80
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    Polymer Engineering and Science 34 (1994), S. 559-569 
    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 mathematical model is presented for the computer simulation of multilayer flow of polymer melts in coexitrusion. The proposed model can handle an arbitrary number of layers. The viscosity of each layer is shear-rate and temperature dependent. Given the material properties, die dimensions, and process conditions, the model determines the flow field throughout the die gap. Computer simulations and experimental data are presented for a three-layer polyester/EVA/polyester film coextrusion, with emphasis on the interfacial instability and its effects on optical properties of the film. The rsults are discussed in the context of the critical interfacial shear stress criterion that has been proposed by Schrenk, et al. (1) for the onset of interfacial instability. It appears that elasticity differences between layers contribute to the interfacial instability. It is conjectured that minimizing interfacial shear stress and matching elasticities of adjacent layers is an appropriate criterion in coextrusion analysis.
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  • 81
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    Polymer Engineering and Science 34 (1994), S. 541-550 
    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 simple unified lubrication approach has been proposed to design a coat-hanger die that can deliver wide and uniform liquid sheets. This approach requires that the wall stress in the manifold be constant. With this constraint, any inelastic non-Newtonian fluid model can be used to describe the liquid motion inside the die. Fluid models that can represent the pseudoplastic or viscoplastic behavior of polymeric liquids have been selected for illustration. A general equation that can be solved to determine the effect of production variations on flow uniformity inside the die has also been derived.
    Additional Material: 1 Ill.
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  • 82
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 570-579 
    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 paper we address the aspects associated with shear modification of low density polyethylene by extrusion. By successive passes of the polymer through an extruder it can be shown that both the melt viscosity and melt elasticity are reduced by shear modification. These reversible variations are not accompanied by significant changes in molecular weight distribution. The major effects of extrusion are to decrease the amount of elastically effecitve material. Study of proton relaxation times at 150°C shows that the melt comprises regions of relatively ordered, entangled, and unentangled polymer. Shearing reduces the proportion of more ordered material. The elastically effective anchors that are reduced by shearing are regions with restricted segmental mobility rather than conventional entanglements or intermolecular knots. Successive extrusions produce a relatively small decrease in the number of such constraints to molecular motion. Repeated shearing has a diminishing effect on the proportion of more ordered material in the polyethlene melt. This parallels observations of the effects of repeated shear modification on the properties of polyethylene films and other extrudates.
    Additional Material: 14 Ill.
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  • 83
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 585-597 
    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 presents the design and analysis of a process control strategy for a reactive extrusion polypropylene degradation process. The primary control objective is to continuously produce polypropylene with desired properties (viscosity) despite variations in the properties of the feed material. The viscosity of the polypropylene, measured using an In-line Wedge Rheometer, is controlled by manipulating the feed concentration of the peroxide which acts as the initiator for the degradation reaction. An empirical model of the reactive degradation process is developed which describes the process dynamics and the characteristic process disturbances. Minimum variance (MV), constrained minimum variance (CMV), and pole placement (PP) controllers are first evaluated and compared in simulation. Then, a pole placement controller is implemented on the actual reactive extrusion process, with results being presented for the response of the controlled process to load disturbances due to feed material changes.
    Additional Material: 14 Ill.
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  • 84
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994) 
    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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  • 85
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 580-584 
    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 sliding plate rheometer has been developed to measure the normal thrust of a molten plastic in large amplitude oscillatory shear. The normal thrust of a molten plastic in large amplitude oscillatory shear is a significant nonlinear effect that has previously been unobtainable. Normal thrust measurements may now be used to help understand and characterize nonlinear viscoelastic behavior inherent in most molten plastics. The new rhemoeter incorporates a piezoelectric pressure transducer in a very stiff plate that minimizes compliance. Normal thrust measurements with cone and plate rheometers are made by measuring the total force on the plate (or cone) and are subject to error due to edge effects. The new rheometer measures the local pressure in the sample and is therefore unaffected by sample size or edge effects. Normal thrust measurements in large amplitude oscillatory shear are reported for both molten Phillips TR480 high density polyethylene pipe resin which contains 2% by weight of carbon black filler and IUPAC LDPE X. Crosstalk due to shear stress on the active face of the pressure transducer causes signal error which for oscillatory shear is filtered out using a discrete Fourier transform.
    Additional Material: 7 Ill.
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  • 86
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 613-624 
    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: At 75/25 concentration ratio, bisphenol a polycarbonate (PC)/styreneacry-lonitrile copolymer (SAN) blend has poor impact resistance compared to PC/ABS. A rubber phase methacrylate-butadiene-styrene (MBS) of core/shell type was dispersed in PC/SAN blend. The morphology of the unmodified and modified blend was investigated. The influence of the acrylonitrile ratio in the SAN on the microstructure was studied. It clearly shows that core/shell resides at the interface between PC and SAN. It seems that core/shell particles enhance the adhesion between the different phases. Their presence influences the interface mobility; i.e., the coalescence of the dispersed phase observed in pure PC/SAN is considerably reduced when the MBS particles are added. The impact resistance of the samples was correlated with the morphology.
    Additional Material: 14 Ill.
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  • 87
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    Polymer Engineering and Science 34 (1994), S. 598-612 
    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 presents the development of a model for free radical initiated polypropylene degradation during reactive extrusion that combines a kinetic model of the polypropylene degradation reaction with a simplified model of the melting mechanism in the extruder. The free radical initiated degradation of polypropylene is characterized by a narrowing of the molecular weight distribution (MWD) and a decrease in the molecular weight averages. A high temperature SEC is used to determine MWD's for three different commercially available polypropylenes degraded at various initiator concentrations in a 1.5 inch single screw extruder (L/D = 24:1). The predictions of the kinetic model alone and the combined kinetic-melting model are compared with the experimentally determined MWD's and molecular weight averages for the degraded polypropylenes. The predictions of a modified kinetic model that includes the possibility of termination by combination are also examined. The kinetic-melting model is found to provide significantly improved predictions of the experimentally determined MWD's and molecular weight averages in comparison to the original kinetic model. A viscosity-molecular weight relationship is also developed, which is then used to determine the gain of the degradation process as a function of the initiator concentration from the molecular weight averages predicted by the kinetic-melting model. Earlier work has shown such prior knowledge of the process gain can be used to significantly improve the performance of process control schemes for the degradation process.
    Additional Material: 11 Ill.
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  • 88
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 625-631 
    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 curing and vitrification effect during the reaction of ATBN modified epoxy resin was studied through the dynamic differential scanning calorimetry method and a new reaction kinetic equation containing generalized WLF equation was developed to describe the reaction rate at both glassy and rubbery state. An autocatalytic mechanism was found to describe adequately the cure kinetics of the rubber modified epoxy resin and the overall order of reaction was assumed to be 2. The kinetic parameters were determined from the DSC data through the Marquardt's multivariable nonlinear regression method and Runge-Kutta integration technique. The presence of rubber indicated minor effect on the cure kinetics of epoxy resin. The Arrhenius type viscosity function was employed to establish a relationship between viscosity data measured by RMS and chemical conversion calculated from the reaction kinetic equation.
    Additional Material: 12 Ill.
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  • 89
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    Polymer Engineering and Science 34 (1994), S. 642-649 
    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: Polyurethane foam formation involves both polymerization and expansion processes. The dynamics of the water and R-11 blown foams depend on the rates of chemical and physical blowing processes, along with the rate of viscosity increase of the reacting mixture. Experiments were carried out to study the dynamics of free rising, water and R-11 blown rigid polyurethane foams. The density and temperature change during the foam formation were monitored. A theoretical model was developed to predict the density and temperature variation with time. In the model, the physical blowing agent (R-11) evaporation process is assumed to be heat generation-controlled and the carbon dioxide generation process to be controlled by the rate of the water-isocyanate reaction. The kinetic parameters of the reactions of isocyanate with polyol and water were obtained separately and were asssumed to be independent of each other. The water-isocyanate reaction appears to follow first-order kinetics with respect to concentration of water. The theoretical predictions of the model show good agreement with the experimental data for density variation with time. The model predictions for temperature rise also match experimental data, except at the later stages of foaming when it is found to be slower than the experimental measurements. However, this deviation does not affect the dynamics of density change since it occurs after the completion of the expansion process.
    Additional Material: 7 Ill.
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  • 90
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 657-664 
    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 good extrusion die must distribute the polymer melt in the flow channel such that the material exits from the die with a uniform velocity and temperature. Coathanger dies are commonly used for the extrusion of plastic sheets and films. The die is usually provided with a straining bar allowing a regulation of the flowrate in the case of a poor design. But this, in turn, can affect temperature uniformity. Therefore, the design of coathanger die is a complex task which is mainly accomplished by trial and error in industry. Analyses of the flow in coathanger dies have been reported in the literature. Analytical and numerical approaches are used to solve this problem. The first one involves many simplifying assumptions: the most important ones being the unidirectional and isothermal flow of the polymer. Most numerical methods deal with a 2-D geometry, but only a few of them have considered the non-isothermal flow. A new model has been developed using a modified FAN method (Flow Analysis Network introduced by Tadmor) for the calculation of the 2-D flow, coupled with a finite-difference scheme for the calculation of temperature. The overall model can run on a PC with only a few minutes of calculation. Good agreement was obtained between experimental data and simulations.
    Additional Material: 16 Ill.
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  • 91
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    Polymer Engineering and Science 34 (1994), S. 650-656 
    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 new finite element model named Corrected Slice Method (CSM) has been developed to cope with three-dimensional vacuum cooling calibrator problems. Such problems appear whenever the cooling channel lay-out comprises transverse channels in the calibrator. The CSM is an extension of the 2D approach (8), which takes into account the axial heat fluxes within the calibrator. The proposed model was validated by comparing the numerical results obtained on a test problem with a rigorous finite element approach. Moreover, a real complex profile-calibrator system was simulated in order to illustrate the full performance of the porposed method.
    Additional Material: 15 Ill.
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  • 92
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    Polymer Engineering and Science 34 (1994), S. 665-670 
    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 bend testers for the determination of critical strains in the study of environmental stress cracking has been assessed. Using the combination of polystyrene in ethanol, various factors affecting the measurement of critical strains were investigated, including the strain applied during the bend testing, the time of immersion in the liquid prior to straining, the surface finish, and the extent of physical aging. It was concluded that the best determination of critical strain is the strain at which a sample just shows signs of crazing, rather than the strain at the outer edge of a band of crazes. The measured value of critical strain increases with increased prior immersion time, decreased surface roughness, and decreased physical aging time. Reasons for these variations are discussed. It is concluded that although the use of bend testers is valuable for qualitative testing, careful testing methodologies need to be adopted for it to be a useful quantitative test.
    Additional Material: 11 Ill.
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  • 93
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    Polymer Engineering and Science 34 (1994), S. 632-641 
    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 dynamics of R-11 blown polyurethane foam formation depend on the rates of viscosity increase of the reacting mixture and R-11 evaporation, and both are controlled by the polymerization process. Detailed experiments were carried out to study the dynamics of foaming and the measurements made included the cream and rise times, the density change of the expanding foam with time, and the temperature rise during reaction. Dynamic temperature measurements at different points in the foaming mixture were also made to study the spatial variation of the temperature in the foam. The experimental results showed the rate of foaming, the final density, and the maximum temperature decreased with increasing R-11 concentration. The heat losses from the foam were also found to be significant towards the later stages of foaming when density was low. Theoretical models were developed to predict the temperature and density change with time and spatial variation of temperature in the foam due to heat losses, by considering the foaming dynamics to be either heat generation controlled or heat and mass transfer controlled. In the former, the foam was assumed to be a pseudohomogeneous phase and the approach was similar to that of Rojas, et al. (5). New features accounted for in the model were dilution of the reactant concentration due to the presence of liquid blowing agent and heat loss from the foam due to radiation. While excellent agreement between theoretical predictions and experimental results was obtained for temperature variation with time at different locations in the foam, the model gave a much sharper reduction in density with time as compared to the experimental data. In the second model, the rate of foaming was assumed to be controlled by the rate of heat and mass transfer to a single bubble in the foam. Assuming a film model for heat and mass transfer, the theoretical predictions for both temperature and density were found to be in very good agreement with experimental data.
    Additional Material: 11 Ill.
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  • 94
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    Polymer Engineering and Science 34 (1994), S. 821-826 
    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: When diffusion coefficients are measured with the cup method, the exposed area is often less than the area of the sample. Because of this masking effect the measured diffusion coefficient is overestimated. The present article presents simple formulas based on two-dimensional analytical solutions to correct for this in cylindrical cup samples. Different cases of anisotropical diffusion are dealt with. The error in the analytical solutions is determined by numerical computer simulations.
    Additional Material: 6 Ill.
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  • 95
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    Polymer Engineering and Science 34 (1994), S. 815-820 
    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 comparative study of warpage, global shrinkage, and residual quench stresses developed in rotational molding is made for a series of thermoplastics including various polythylenes, polypropylene, polyamide-6, polycarbonate, and polystyrene. The influence of rate of quench on uniaxial stress strain and impact behavior of rotomolded parts was also studied. Generally, warpage, global shrinkage, and residual stresses increase with increasing quench rate for all the polymers. Further, the levels of warpage and global shrinkage increases with extent of crystallization, i.e., products from glassy polymers exhibit little warpage and those from highly crystalline polymers are highly warped. Increasing rate of quench tends to increase elongation to break and impact strength.
    Additional Material: 10 Ill.
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  • 96
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    Polymer Engineering and Science 34 (1994), S. 799-803 
    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: Measurements of melt strength and breaking stretching ratio of several blends of thermoplastic polymers with liquid crystalline polymers are presented. The melt strength behavior depends not only on the viscosity of the blends but also on the temperature dependence of the viscosity. In particular, even if the viscosities of the blends are, at the extrusion temperature, lower than that of the thermoplastic matrices, the melt strength can be larger than that of the pure thermoplastics if its viscosity-temperature curve exceeds that of the matrices far from the solidification temperature. This behavior allows one to spin or film blow these blends despite the low viscosity.
    Additional Material: 9 Ill.
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  • 97
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    Polymer Engineering and Science 34 (1994), S. 804-814 
    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 mathematical model of the high pressure polymerization of ethylene in tubular reactors was tested with experimental data obtained from an industrial size tubular reactor. Series of experiments involving changes in operating conditions were carried out, and process data and polyethylene samples were collected. The collected samples were characterized for their molecular weight distributions and various rheological material functions involving shear and extensional flows. The findings of the model were compared against the generated process data and the molecular weight distributions of the samples. The determined rheological behavior exhibited strong dependence on the primary characteristics of the resins. Overall, this study should introduce a better understanding of the interactions between high pressure reaction conditions and the primary properties of polyethylene, including moments of molecular weight distribution and extent of branching on one hand and the interrelationships between primary properties and the rheological behavior of the high pressure polyethylene product on the other hand.
    Additional Material: 11 Ill.
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  • 98
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    Polymer Engineering and Science 34 (1994), S. 827-834 
    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 Galerkin finite element method has been applied to study the three-dimensional flow field of power-law fluids inside an extrusion die. Two inlet designs, i.e., center-fed and end-fed, have been considered. The effects of inertial force as represented by the Reynolds number Re, inlet geometry, and the power-law index n on lateral flow uniformity and vortex formation in the entrance region have been examined. A flow visualization technique has been carried out to experimentally verify the theoretical prediction of the three-dimensional flow field inside a die. It has been found that increasing Re or decreasing n will deteriorate flow uniformity. Depending on the direction of the inlet jet stream, the inertial force may create a flow peak in the central region of a center-fed die, or the maximum flow rate will appear close to the end of the die for an end-fed die. For highly shear-thinning fluids, lower flow rates are always observed close to the end of the dies. It is concluded that creating a plug flow in the inlet tube of the extrusion die is advantageous for both center-fed and end-fed designs.
    Additional Material: 13 Ill.
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  • 99
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    Polymer Engineering and Science 34 (1994), S. 835-846 
    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 two-phase model is presented for simulating the post-filling stage of injection molding of amorphous and semicrystalline materials. A finite-element scheme with quadratic shape function for the pressure is proposed. The melt is considered in terms of Hele-Shaw flow for a non-Newtonian fluid using a modified-Cross model with either an Arrhenius-type or WLF-type functional form to describe the viscosity under nonisothermal conditions; the compressible behavior of the polymer is assumed to obey either a double-domain Tait or single-domain Spencer Gilmore equation of state. The interfacial energy balance equation including the latent-heat effect for semicrystalline materials is coupled with the transient energy equation for the solid and melt phases in order to predict the solidified layer and temperature profile. Two well-characterized materials, namely a commercial-grade PP and PS, were used in the present work. Good agreement is obtained between the present simulation and experimental pressure traces from this study and from previous investigation in the literature. The effects of compressibility, viscosity model, and thermal properties upon the predicted pressure field are also considered.
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  • 100
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994) 
    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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