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  • 2005-2009
  • 1990-1994  (1,762)
  • 1965-1969
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  • 1
    Publication Date: 2020-12-15
    Description: The present paper contains a generalization of a refinement of the Newton- Mysovskii theorem, recently obtained by the authors, to the case of Gauss-Newton procedures for solving nonlinear least-squares problems with full Jacobians. Invariant sufficient conditions are given that ensure the convergence of the Gauss-Newton iterates towards a solution of the problem, as well as the uniqueness of that solution in an explicitely defined neighborhood. It is shown by a counter- example that the results do not carry over to the rank deficient case.
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  • 2
    Publication Date: 2014-02-26
    Description: The breakdown voltage highly depends on the electric field in the depletion area whose computation is the most time consuming part of the simulation. We present a self adaptive Finite Element Method which reduces dramatically the required computation time compared to usual Finite Difference Methods. A numerical example illustrates the efficiency and reliability of the algorithm.
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  • 3
    Publication Date: 2014-02-26
    Description: Part III of the paper is devoted to the construction of an adaptive FEM solver in two spatial dimensions, which is able to handle the singularly perturbed elliptic problems arising from discretization in time. The problems of error estimation and multilevel iterative solution of the linear systems - both uniformly well behaved with respect to the time step - can be solved simultaneously within the framework of preconditioning. A multilevel nodal basis preconditioner able to handle highly nonuniform meshes is derived. As a numerical example an application of the method to the bioheat-transfer equation is included. {\bf AMS CLASSIFICATION:} 65F10, 65F35, 65M50, 65M60, 65N30.
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  • 4
    Publication Date: 2020-09-24
    Description: Most nonlinear computations require the evaluation of first and higher derivatives of vector functions defined by computer programs. It is shown here how vectors of such partial derivatives can be obtained automatically and efficiently if the computer language allows overloading (as is or will be the case for C++, PASCAL-XSC, FORTRAN90, and other modern languages). Here, overloading facilitates the extension of arithmetic operations and univariate functions from real or complex arguments to truncated Taylor-series (or other user- defined types), and it generates instructions for the subsequent evaluation of adjoints. Similar effects can be achieved by precompilation of FORTRAN77 programs. The proposed differentiation algorithm yields gradients and higher derivatives at a small multiple of the run-time and RAM requirement of the original function evaluation program. {\bf Keywords:} Automatic Differentiation, Chain Rule, Overloading, Taylor Coefficients, Gradients, Hessians, Reverse Accumulation, Adjoint Equations. {\bf Abbreviated title:} Automatic Differentiation by Overloading.
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  • 5
    Publication Date: 2014-02-26
    Description: The description of chain length distributions in macromolecular reaction kinetics leads to so-called countable systems of differential equations. In particular, when the appearing reaction rate coefficients depend on the chain length of the reacting macromolecules itself, an efficient numerical treatment of these systems is very difficult. Then even the evaluation of the right-hand side of the system can become prohibitively expensive with respect to computing time. In this paper we show how the discrete Galerkin method can be applied to such problems. The existing algorithm CODEX is improved by use of a multiplicative error correction scheme for time discretization and a new type of numerical preprocessing by means of a Gauss summation. Both ideas are exemplary for a wide class of approximation types and are described very briefly here. The new numerical techniques are tested on an example from soot formation, where the coagulation of molecules is modeled in terms of reaction coefficients depending on the surface of the particles and their collision frequency.
    Keywords: ddc:000
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  • 6
    Publication Date: 2014-02-26
    Description: The numerical solution of optimal control problems by indirect methods (such as multiple shooting or collocation) requires a considerable amount of analytic calculation to establish a numerically tractable system. These analytic calculations, though being rather tedious in realistic examples, are nowadays mostly still done by hand-and thus prone to calculation errors. The paper aims at automating this analytic processing to a reasonable extent by means of a modern symbolic manipulation language (here: REDUCE). In its present stage of development the package OCCAL (mnemotechnically for \underline{O}ptimal \underline{C}ontrol \underline{CAL}culator) permits an interactive use, covering tasks like automatic determination of control and, in case of a singular control, of its order. In simpler problems, the present version of OCCAL automatically produces the full subroutine input for a MULtiple shooting code (MULCON) with adaptive numerical CONtinuation. In more complicate problems where singular sub-arcs may occur or where the sequence of sub-arcs of the optimal trajectory is unclear OCCAL is a significant help in reducing analytic pre-processing. Numerical examples illustrate the performance of OCCAL/MULCON.
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  • 7
    Publication Date: 2014-02-26
    Description: If $B$ is an arrangement of linear complex Hyperplanes in $C^d$, then the following can be constructed from knowledge of its intersection lattice: (a) the cohomology groups of the complement [Br], (b) the cohomology algebra of the complement [OS], (c) the fundamental group of the complement, if $d\le2$, (d) the singularity link up to homeomorphism, if $d\le3$, (e) the singularity link up to homotopy type [ZZ]. If $B'$ is, more generally, a 2-arrangement in $ R^{2d}$ (an arrangement of real subspaces of codimension 2 with even-dimensional intersections), then the intersection lattice still determines (a) the cohomology groups of the complement [GM] and (e) the homotopy type of the singularity link [ZZ]. We show, however, that for 2-arrangements the data (b), (c) and (d) are not determined by the intersection lattice. They require the knowledge of extra information on sign patterns, which can be computed as determinants of linear relations, or (equivalently) as linking coefficients in the sense of knot theory.
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  • 8
    Publication Date: 2014-02-26
    Description: We prove combinatorial formulas for the homotopy type of the union of the subspaces in an (affine, compactified affine, spherical or projective) subspace arrangement. From these formulas we derive results of Goresky & MacPherson on the homology of the arrangement and the cohomology of its complement. The union of an arrangement can be interpreted as the direct limit of a diagram of spaces over the intersection poset. A closely related space is obtained by taking the homotopy direct limit of this diagram. Our method consists in constructing a combinatorial model diagram over the same poset, whose homotopy limit can be compared to the original one by usual homotopy comparison results for diagrams of spaces.
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  • 9
    Publication Date: 2014-02-26
    Description: A new adaptive multilevel approach for linear partial differential equations is presented, which is able to handle complicated space geometries, discontinuous coefficients, inconsistent initial data. Discretization in time first (Rothe's method) with order and stepsize control is perturbed by an adaptive finite element discretization of the elliptic subproblems, whose errors are controlled independently. Thus the high standards of solving adaptively ordinary differential equations and elliptic boundary value problems are combined. A theory of time discretization in Hilbert space is developed which yields to an optimal variable order method based on a multiplicative error correction. The problem of an efficient solution of the singularly perturbed elliptic subproblems and the problem of error estimation for them can be uniquely solved within the framework of preconditioning. A Multilevel nodal basis preconditioner is derived, which allows the use of highly nonuniform triangulations. Implementation issues are discussed in detail. Numerous numerical examples in one and two space dimensions clearly show the significant perspectives opened by the new algorithmic approach. Finally an application of the method is given in the area of hyperthermia, a recent clinical method for cancer therapy.
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  • 10
    Publication Date: 2020-03-06
    Description: NUMSIM 91 fand vom 6.-08. Mai 1991 im Wissenschaftlichen Kommunikations- & Konferenz- Zentrum der Humboldt-Universität in Gosen bei Berlin statt. Im Mittelpunkt dieses Seminars standen Probleme der numerischen Simulation von Ladungstransport- und Technologieprozessen der Mikro- und Optoelektronik. Es führte Spezialisten der physikalischen Modellierung, der numerischen Mathematik und mathematischen Analysis sowie Nutzer von Simulationsprogrammen aus dem deutschsprachigen Raum zusammen. Ziel war die Vermittlung und der Austausch von Erfahrungen, die Diskussion gemeinsamer Aufgabenstellungen und Projekte und - in Anbetracht der deutschen Vereinigung nicht zuletzt - das gegenseitige Kennen- und Verstehenlernen.
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  • 11
    Publication Date: 2014-03-06
    Description: The rapidly increasing number of AIDS cases requires a realistic estimation of the future development of the HIV/AIDS disease. For that purpose we develop a large system of coupled nonlinear differential equations describing simultaneously the dynamics of the development of the disease, the population size, the gender and age structure. A set of 1650 coupled equations are linked by balanced parameters. The balancing procedure is described by a set of (formally) 2,178,000 additional algebraic conditions. As the considered system is stiff, it requires new special extrapolation methods combined with techniquees of dynamical sparsing for the solution of sparsely filled systems. According to our simulations we expect 19,0,000 deaths caused by AIDS in the Federal Republic of Germany (former territories) in the year 2000. Such an epidemical spread would tie up about 4-7 percent of the actual health care workers.
    Keywords: ddc:000
    Language: German
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  • 12
    Publication Date: 2014-02-26
    Description: In this paper we introduce a discontinuous finite element method. In our approach, it is possible to combine the advantages of finite element and finite difference methods. The main ingredients are numerical flux approximation and local orthogonal basis functions. The scheme is defined on arbitrary triangulations and can be easily extended to nonlinear problems. Two different error indicators are derived. Especially the second one is closely connected to our approach and able to handle arbitrary variing flow directions. Numerical results are given for boundary value problems in two dimensions. They demonstrate the performance of the scheme, combined with the two error indicators. {\bf Key words:} neutron transport equation, discontinuous finite element, adaptive grid refinement. {\bf Subject classifications:} AMS(MOS) 65N30, 65M15.
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  • 13
    Publication Date: 2014-02-26
    Description: In this paper it is shown that for highly nonuniformly refined triangulations the condition number of the BPX preconditioner for elliptic finite element problems grows at most linearly in the depth of refinement. This is achieved by viewing the computational available version of the BPX preconditioner as an abstract additive Schwarz method with exact solvers. {\bf AMS CLASSIFICATION:} 65F10, 65F35, 65N20, 65N30.
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  • 14
    Publication Date: 2014-02-26
    Description: We study the space of all extensions of a real hyperplane arrangement by a new pseudo- hyperplane, and, more generally, of an oriented matroid by a new element. The question whether this space has the homotopy type of a sphere is a special case of the "Generalized Baues Problem" of Billera, Kapranov & Sturmfels, via the Bohne-Dress Theorem on zonotopal tilings. We prove that the extension space is spherical for the class of strongly euclidean oriented matroids. This class includes the alternating matroids and all oriented matroids of rank at most 3 or of corank at most 2. In general it is not even known whether the extension space is connected. We show that the subspace of realizable extensions is always connected but not necessarily spherical.
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  • 15
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    Publication Date: 2019-10-24
    Keywords: ddc:000
    Language: German
    Type: annualzib , doc-type:report
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  • 16
    Publication Date: 2014-02-26
    Description: We consider such variational inequalities which either describe obstacle problems or result from an implicit time discretization of moving boundary problems of two phase Stefan type. Based on a discretization in space by means of continuous, piecewise linear finite elements with respect to a nested hierarchy of triangulations, in both cases we use iterative processes consisting of inner and outer iterations. The outer iterations are either active set strategies or generalized Newton methods while the inner iterations are preconditioned cg- iterations with multilevel preconditioners.
    Keywords: ddc:000
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  • 17
    Publication Date: 2014-02-26
    Description: One-step discretizations of order $p$ and step size $\varepsilon$ of ordinary differential equations can be viewed as time-$\varepsilon$ maps of \begin{displaymath} \dot{x} (t) = f(\lambda ,x(t)) + \varepsilon^p g(\varepsilon,\lambda,t/\varepsilon,x(t)), x \in R^N,\lambda \in R, \end{displaymath} where $g$ has period $\varepsilon$ in $t$. This is a rapidly forced nonautonomous system. We study the behavior of a homoclinit orbit $\Gamma$ for $\varepsilon = 0, \lambda =0$, under discretization. Under generic assumptions we show that $\Gamma$ becomes transverse for positive $\in$. The transversality effects are estimated from above to be exponentially small in $\in$. For example, the length $l(\varepsilon$) of the parameter interval of $\lambda$ for which $\Gamma$ persists can be estimated by \begin{displaymath} l(\varepsilon)\le Cexp(-2\pi\eta/\varepsilon), \end{displaymath} where $C,\eta$ are positive constants. The coefficient $\eta$ is related to the minimal distance from the real axis of the poles of $\Gamma(t)$ in the complex time domain. Likewise, the region where complicated, "chaotic" dynamics prevail is estimated to be exponentially small, provided $x \in R^2$ and the saddle quantity of the associated equilibrium is nonzero. Our results are visualized by high precision numerical experiments. The experiments show that, due to exponential smallness, homoclinic transversality becomes pratically invisible under normal circumstances, already for only moderately small step size. {\bf Keywords:} Homoclinic orbit, ordinary differential equations, discretization, transversality, averaging, exponential smallness, chaos. {\bf Subject Classifications:} (AMS): 34C15, 34C35, 58F14, 65L60
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  • 18
    Publication Date: 2014-02-26
    Description: We consider the discretization of obstacle problems for the Laplacian by piecewise linear finite elements. Assuming that the discrete problems are reduced to a sequence of linear problems by suitable active set strategies, the linear problems are solved iteratively by preconditioned c-g iterations. The proposed preconditioners are treated theoretically as abstract additive Schwarz methods and are implemented as truncated hierarchical basis preconditioners. To allow for local mesh refinement we derive semi-local and local a posteriori error estimates, providing lower and upper estimates for the discretization error. The theoretical results are illustrated by numerical computations.
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  • 19
    Publication Date: 2014-02-26
    Description: Countable systems of ordinary differential equations appear frequently in chemistry, physics, biology and statistics. They can be considered as ordinary differential equations in sequence spaces. In this work, a fully adaptive algorithm for the computational treatment of such systems is developed. The method is based on a time discretization of an abstract Cauchy problem in Hilbert space and a discrete Galerkin approach for the discretization of the arising stationary subproblems. The Galerkin method uses orthogonal functions of a discrete variable, which are generated by certain weight functions. A theory of countable systems in the associated weighted sequence spaces is developed as well as a theory of the Galerkin method. The Galerkin equations are solved adaptively either by use of analytical properties of the orthogonal functions or by an appropriate numerical summation. The resulting algorithm CODEX is applied to examples of technological interest, in particular from polymer chemistry.
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  • 20
    Publication Date: 2014-02-26
    Description: The deformation of a hexagonal lattice dome under an external load is an example of a parameter dependent system which is equivariant under the symmetry group of a regular hexagon. In this paper the mixed symbolic-numerical algorithm SYMCON is applied to analyze its steady state solutions automatically showing their different symmetry and stability properties.
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  • 21
    Publication Date: 2014-02-26
    Description: We study the higher Bruhat orders $B(n,k)$ of Manin & Schechtman [MaS] and - characterize them in terms of inversion sets, - identify them with the posets $U(C^{n+1,r},n+1)$ of uniform extensions of the alternating oriented matroids $C^{n,r}$ for $r:=n-k$ (that is, with the extensions of a cyclic hyperplane arrangement by a new oriented pseudoplane), - show that $B(n,k)$ is a lattice for $k =1$ and for $r\le 3$, but not in general, - show that $B(n,k)$ is ordered by inclusion of inversion sets for $k=1$ and for $r\le 4$. However, $B(8,3)$ is not ordered by inclusion. This implies that the partial order $B_\subseteq (n,k)$ defined by inclusion of inversion sets differs from $B(n,k)$ in general. We show that the proper part of $B_\subseteq (n,k)$ is homotopy equivalent to $S^{r-2}$. Consequently, - $B(n,k)\simeq S^{r-2}$ for $k=1$ and for $r\le 4$. In contrast to this, we find that the uniform extension poset of an affine hyperplane arrangement is in general not graded and not a lattice even for $r=3$, and that the proper part is not always homotopy equivalent to $S^{r(M)-2}$.
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  • 22
    Publication Date: 2019-05-10
    Description: The C-implementation of KASKADE, an adaptive solver for linear elliptic differential equations in 2D, is object of a set of numerical experiments to analyze the use of resources (time and memory) with respect to numerical accuracy. We study the dependency of the reliability, robustness, and efficiency of the program from the parameters controlling the algorithm.
    Keywords: ddc:000
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  • 23
    Publication Date: 2014-02-26
    Description: A high resolution Godunov-type method is developed and applied to a two-dimensional version of the Burgers equation. On one-dimensional testproblems the scheme is second order accurate for smooth flow and resolves discontinuities sharply. On two-dimensional problems, however, large numerical oscillations are introduced when discontinuities traveling obliquely to the grid directions are present. These oscillations are caused by a Strang- type operator splitting, and cannot be eliminated using flux limiters or small timesteps. {\bf Keywords:} High resolution methods, Godunovs method, operator splitting, complex Burgers equation. {\bf AMS:} 35: A40, L45, L60, L65, L, 67. 65: M05, M10.
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  • 24
    Publication Date: 2014-02-26
    Description: For adaptive solution of convection- difussion problems with the streamline-diffusion finite element method, an error estimator based on interpolation techniques is developed. It can be shown that for correctness of this error estimator a restriction of the maximum angle is to be sufficient. Compared to usual methods, the adaptive process leads to more accurate solutions at much less computational cost. Numerical tests are enclosed. {\bf Keywords: } Adaptive finite elements, convection- diffusion equation, internal and boundary layers, streamline-diffusion. {\bf Subject Classifications:} AMS(MOS): 65N15, 65N30
    Keywords: ddc:000
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  • 25
    Publication Date: 2014-02-26
    Description: The success of the German Reunification requires a unique migration from the traditional Eastern Block system to a modern free society. The successful migration must include a shift from a low state of the art in technology to the high level of science and technology present in the Western Community. The role of supercomputing in this transition will include leading the process of organizational change in research and development. The paper contains a short overview on the current state of this evolution, on the currently used political and administrative tools to keep this evolution on track, and on the influence on the Konrad-Zuse-Zentrum, which is, as a Berlin institution, in the geographical and cultural center of this transformation.
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  • 26
    Publication Date: 2014-02-26
    Description: The following report intends to provide a survey over the computational chemistry molecular structure software installed on CRAY X-MP/24 at ZIB. It shows what kind of problems can be tackled with the existing chemistry software, which covers a wide range of ab initio, semiempirical, molecular mechanics, and dynamics applications.
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  • 27
    Publication Date: 2022-04-11
    Description: Mit zunehmender Dezentralisierung im Bereich des Wissenschaftlichen Rechnens steigt auch der Bedarf an Softwarequellen qualitativ hochwertiger mathematischer Algorithmen. Für den Software- und Informationsaustausch wird die Einrichtung öffentlicher, elektronischer Softwarebibliotheken vorgeschlagen. Am Beispiel der eLib des ZIB werden die notwendigen technischen Konzepte, die u.a. auch in den heutigen Gegebenheiten der technischen Kommunikation begründet sind, diskutiert. Die eLib ist fenster- und menüorientiert aufgebaut und folglich im Dialog sehr einfach zu benutzen. Sie kann aber auch mit ihrer Kommandosprache allein auf dem Wege über elektronische Post abgefragt werden. Über die eLib sind, nach dem Verbund mit den Netzbibliotheken NetLib und Reduce-NetLib jetzt etwa 6000 mathematische Programme und allgemeine Dokumente verfügbar. Das Dienstleistungsangebot der eLib setzt Beiträge aus einer aktiven Benutzergemeinschaft voraus. Es besteht die Hoffnung, daß durch den öffentlichen Softwareaustausch sich Entwickler und Anwender wechselseitig in ihrer Arbeit befruchten.
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    Language: German
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  • 28
    Publication Date: 2022-07-07
    Description: An adaptive approach to the numerical solution of the wave propagation in integrated optics devices with 1D cross sections is described. First, Fresnel's approximation of the exact wave equation resulting from Maxwell's equations is considered. A criterion to estimate the validity of this approximation is derived. Fresnel's wave equation being formally equivalent to Schroedinger's equation uniquely defines an initial-boundary-value problem, which is solved numerically by a stepwise calculation of the propagating field. Discretization in longitudinal direction first with stepsize control leads to a stationary subproblem for the transversal field distribution, which is then handled by an adaptive finite element method. Thus full adaptivity of the algorithm is realized. The numerical examples are concentrated on taper structures playing an essential role in integrated optics devices for telecommunication systems.
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  • 29
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 31 (1991), S. 110-115 
    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: A new crystallization kinetic equation has been derived considering the decrease in growth rate. The average linear growth rate of spherulite was assumed to be proportional to the m-th order of the uncrystallized fraction of the crystallizing material. A modified Avrami equation, 1 - Vc = exp[-Kf(t)n], was used where f(t) is the integral of the growth function, (1 - Vc)m. The validity of the equation was tested by analyzing the isothermal crystallization kinetic data of poly(ethylene terephthalate) from the melt using differential scanning calorimetry.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
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  • 30
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 31 (1991), S. 99-103 
    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: Process changes aimed at improving printer engine performance must take into consideration not only the process variables (such as nip temperature and pressure and process time to), but also the melt rheological variables (such as the characteristic time scale of the toner Tc). The melt rheology relevant to the electrophotographic toner fusing process is discussed. One criterion for toner quality can be conveniently measured through the Deborah number De, which is the ratio of Tc to to. Modification of the melt rheology by matrix polymer composition and carbon black size and concentration has previously been explored. Here, the melt rheology of toners with a range of gel content was studied using a step shear test. The coupled relaxation model was employed to fit the stress relaxation data. The viscoelastic properties were calculated from the melt data with this model. These properties were then used to estimate the strain deformation of the toner as it passes through the nip with arbitrary residence time and nip pressure as a function of gel content. This method can be used to match the toner melt properties with the processing conditions.
    Additional Material: 3 Ill.
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  • 31
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 31 (1991) 
    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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  • 32
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 31 (1991), S. 125-139 
    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 unified numerical simulation of the filling/postfilling stages of the injection-molding process described in Part I is compared in the present paper with experimental results obtained with instrumented test molds. Flush-mounted pressure traces in the delivery system as well as in the cavity are favorably compared with corresponding predictions for both an amorphous and a semicrystalline polymer. It is demonstrated that the present unified formulation is well suited to handle complicated molds where compressibility effects can become important even during the filling stage, as portions of the cavity fill and undergo a packing behavior even when other regions of the cavity are still only partially filled.
    Additional Material: 19 Ill.
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  • 33
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 31 (1991), S. 116-124 
    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 study employs a unified theoretical model to simulate the filling and postfilling stages of the injection-molding process. Implementation of such a model is based on a hybrid finite-element/finite-difference numerical solution of the generalized Hele-Shaw flow of a compressible viscous fluid under nonisothermal conditions. The shear viscosity of the polymeric material is represented by a Cross model for the shear-rate dependence and a WLF-type functional form for the temperature and pressure dependence, whereas the specific volume is modeled in terms of a double-domain Tait equation. The analysis also handles variable specific heat and thermal conductivity of the polymer as a function of temperature. Complex thin parts of variable thickness can be modeled and discretized by flat, triangular finite elements which may have arbitrary orientation in three-dimensional space, whereas runners and possible round pins or bosses in the part are represented as one-dimensional circular-tube elements. A control-volume scheme is employed that leads to automatic melt-front advancement during the cavity-filling stage.
    Additional Material: 4 Ill.
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  • 34
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 31 (1991), S. 140-144 
    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 characteristic sigmoid compressive stress-strain relationships of sponges and their layered arrays are described by two kinds of mathematical models having three experimentally determined parameters. Since sponge compression is not accompanied by a significant cross-sectional area expansion, it was assumed that the stress in a multilayered array is the same in each layer. This enables prediction of the array's stress-strain relationship from the parameters of the individual layers and their known thickness. The applicability of the method is demonstrated with experimental data of two kinds of double-layered arrays of polyurethane sponges. It is shown that the arrays' compressive behavior can be satisfactorily predicted irrespective of the mathematical form of the model and whether the strain is expressed as engineering strain or Hencky's.
    Additional Material: 8 Ill.
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  • 35
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 31 (1991), S. 145-152 
    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 gapwise density distributions of the injection molded specimens of two engineering thermoplastics, i.e., poly(phenylene ether) and poly(ether imide), were characterized employing the density gradient column technique. The samples were molded using a 40t Van Dorn injection molding machine. The effects of the thermal history on the density distribution of unconstrained quenched specimens were also investigated. In addition, various material properties, such as pressure-volume-temperature, isothermal contraction, and pressure induced densification behavior were characterized, for the two resins employed in this study. The moldings of the two resins exhibited different trends in their density distributions. These findings were explained in terms of the competing effects of cooling rate and the pressure history experienced by the engineering plastic resins during the molding cycle. The data collected were also used as input to mathematical modeling of density distributions in injection molded articles, which is reported in Part II of this article.
    Additional Material: 14 Ill.
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  • 36
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 31 (1991), S. 191-196 
    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 problem of steady solidification of a power law fluid flowing in a round tube was solved numerically. The fluid considered was a polymer with temperature dependent viscosity. The mathematical solution was obtained by using an implicit finite difference method. Results are presented to show the effects of the Peclet number, Nahme number, and the power law index on the profiles of the frozen layer. Melt temperature profiles at different axial locations are also presented.
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  • 37
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 31 (1991) 
    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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  • 38
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 31 (1991), S. 197-203 
    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: Extensional flow of a bicomponent two-layer slot cast coextrusion process has been studied. A Newtonian and an upper-convected Maxwell fluid were considered to be the two layers, respectively, and the two-layer flow was assumed to be steady and isothermal. This choice was made as a simple model for a system which consists of two distinctly different fluids in terms of their extensional behaviors. Present study considered only the draw-down region where the film thickness changes slowly with the distance from the die exit. For this region, asymptotic solutions could be obtained for two limiting cases in which the elasticity effect of the Maxwell fluid layer is small and the applied tension at the take-off is large, respectively. When the elasticity effect is small, the melt thickness and the velocity profiles are exponential as in the case of a Newtonian single-layer flow. When the applied tension is large, on the other hand, the velocity profile is shown to be near linear. Furthermore, the viscoelasticity effect of the Maxwell fluid layer becomes so dominant that it dictates the mechanics of the coextrusion flow even when its flow rate and shear viscosity may be much smaller than those of the Newtonian layer.
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  • 39
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 31 (1991) 
    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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  • 40
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 31 (1991), S. 353-364 
    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: Optimal open loop control strategies are developed for a semibatch free radical copolymerization of methyl methacrylate and vinyl acetate using the multiobjective dynamic optimization method. A detailed kinetic model is validated through experimentation and used for the design of optimal controls. Both monomer feed rate and reactor temperature are varied to produce the copolymer of desired composition and molecular weight. The open loop control policies are implemented in a process control computer and tested on an experimental stirred tank polymerization system. Excellent agreement between the model predictions and the experimental data have been obtained.
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  • 41
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 31 (1991), S. 333-352 
    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 dynamic behavior of two continuous stirred tank reactors in series has been investigated for free radical solution polymerization of styrene with a binary mixture of two initiators having different thermal decomposition activities. For a wide range of initiator feed composition, both reactors exhibit quite complex nonlinear steady state and transient behavior. When the reactor residence time is used as a bifurcation parameter, the second reactor can have up to five steady states. For certain range of reactor operating conditions, bifurcations to various types of periodic solutions have been observed, such as Hopf bifurcation, isolas, period doubling, period-doubling cascade, and homoclinics. The effects of other reactor variables, such as total initiator concentration, coolant temperature, and reactor volume ratio on the reactor dynamics, are illustrated to show the complex dynamic behavior of the two-reactor system catalyzed by a mixture of t-butyl perbenzoate and benzoyl peroxide.
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  • 42
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    Polymer Engineering and Science 31 (1991), S. 365-375 
    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 novel in-line extrusion rheometer based on the flow of polymer through a wedge (vertically tapered slit). This rheometer is suitable for measuring changes in rheological properties on-line during reactive extrusion, because it can be used to estimate the viscosity for a range of shear rates without the need to change the polymer flow rate (i.e., extruder throughput). Equations have been developed to estimate the parameters of the power-law equation, used to describe the viscosity-shear rate relationship, from measurements of pressure drops along the wedge. An experimental in-line wedge rheometer has been built and used to measure the viscosity for a series of polypropylenes prepared via reactive extrusion. Viscosity measurements from the experimental in-line wedge rheometer are compared with measurements from a capillary rheometer. Good agreement is found between the capillary and wedge rheometer measurements.
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  • 43
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    Polymer Engineering and Science 31 (1991), S. 391-391 
    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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  • 44
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 31 (1991) 
    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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  • 45
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    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 31 (1991), S. 1-5 
    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: Orbital space structures are required to be lightweight, have high specific stiffness, have near-zero coefficient of thermal expansion, exhibit low outgassing, and be cost-effective. Graphite-reinforced thermoplastics have the potential to satisfy the criteria noted. However, prior to committing the materials to specific projects, technology demonstration and risk reduction is necessary. In order to demonstrate the application of fiber-reinforced thermoplastic composites for truss structure applications, a graphite-reinforced poly(ether ether ketone) (PEEK) composite tetrahedron truss array was designed and manufactured. The resulting structure clearly demonstrated that fiber-reinforced thermoplastic composites are a viable alternative to epoxy composites for orbital structures.
    Additional Material: 7 Ill.
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  • 46
    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 371°C (700°F) properties of Celion 6000/N-phenylnadimide modified PMR-15 polyimide composites were investigated to determine the feasibility of using these materials at a 371°C (700°F) service temperature. The processing characteristics and physical and mechanical properties of the composite systems are presented. The results of the 371°C thermooxidative stability study suggest that the composite materials can be considered for short-term (at least 100 hours) application at 371°C.
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  • 47
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    Polymer Engineering and Science 31 (1991), S. 6-13 
    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 series of graphite fiber/PMR-15 polyimide composites, isothermally aged at 316°C in flowing air (100 cc/min) for time periods up to 2000 h, were investigated for mechanical property changes, fiber/resin interface changes, overall dimensional changes, and weight loss. The mechanism of the degradation process is suggested based on shear and flexural property measurements at room temperature and 316°C, optical micrographs of composite cross sections, and SEM analysis of fractured surfaces. The fiber materials investigated in composite form were Celion 6000 unsized and epoxy sized. G40-700 unsized and epoxy sized, and T40R and IM6 both unsized.
    Additional Material: 6 Ill.
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  • 48
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    Polymer Engineering and Science 31 (1991), S. 28-33 
    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 high performance semi-interpenetrating polymer network (semi-IPN) has been synthesized from Thermid-600 and LARC-TPI. Notable improvements in resin fracture toughness and graphite fiber reinforced composite microcracking resistance over the unmodified Thermid-600 neat resin and composite have been realized. The chemistry, processing, physical and mechanical properties, and phase morphology of the neat resin and composite reinforced with graphite fibers are presented.
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  • 49
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    Polymer Engineering and Science 31 (1991), S. 20-27 
    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: Recently, we reported on the interpenetrating polyimide network (IPN) approach to develop tough and microcracking resistant high temperature matrix resins for use in aircraft/aerospace structural components. One such polymer developed is designated LaRC-RP40. This new simultaneous semi-IPN was prepared from easy-to-process but brittle crosslinking PMR-15 and tough but difficult-to-process linear NR-150B2. Significantly improved toughness, microcracking resistance, and glass transition temperature over PMR-15 were realized from the combination. These property improvements were achieved without compromising ease of processing, high temperature mechanical performance, and cost effectiveness compared to PMR-15. These results encouraged us to further explore this approach for the development of a wider range of polymers of basic technological and economic interest. In the present work, we combine crosslinking PMR-15 and linear LaRC-TPI to provide a new sequential semi-2-IPN called LaRC-RP41. The physical and mechanical properties of the neat resin and composite reinforced with graphite fibers are presented. The phase morphology and phase stability of the neat resin and composite studied by various techniques are also discussed.
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  • 50
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    Polymer Engineering and Science 31 (1991), S. 40-46 
    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 mechanical properties of three dimensional stitched composites were compared against those of the traditional two dimensional laminates. An attempt was made to correlate the change in properties to the change in the third directional fiber density. Tests conducted were the impact, three-point bending, damage tolerance, end notched flexure, and bending fatigue test. The results of these tests show that the third directional fibers can effectively inhibit delamination by increasing the interlaminar shear strength. Three dimensional composites also possess better damage tolerance, fracture toughness, and fatigue life. However, a high stitching density can degrade the in-plane properties of the composites.
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  • 51
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    Polymer Engineering and Science 31 (1991), S. 34-39 
    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: Research has been conducted to investigate the water absorption in carbon fiber reinforced poly(ether ether ketone) (PEEK/CF) and poly(phenylene sulfide) composites (PPS/CF). Effect of humidity and temperature on tensile, flexural, and impact strength of these composites were also studied. Results indicated that the water absorbed in PPS/CF and PEEK/CF are 0.059 %wt, 0.130 %wt, 0.138 %wt, and 0.153 %wt at 80°C. 75 %RH and 85 %RH, respectively. The diffusion process is a classical Fickian diffusion in the temperature range investigated. The activation energies of diffusion are 667 cal/g-mole (for PPS/CF) and 8934 cal/g-mole (for PEEK/CF) at 80°C and 75 %RH. The retention of mechanical properties of these composites is very good under hot-wet conditions. These composite materials can be served as high performance materials even in the hostile environment. PEEK/CF composites shows excellent mechanical properties retention even at 80°C, 75 %RH, and 85 %RH.
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  • 52
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    Polymer Engineering and Science 31 (1991), S. 47-55 
    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 feasibility study on the use of vibration spectrum analysis as a tool for nondestructive evaluation (NDE) of polymer composites was conducted. Material integrity of polymer composite samples was determined from the vibrational measurements by analyzing the resonant frequency and damping information. A number of important “states” in the composites tested could be characterized by this analysis. The vibration tehnique was found to be sensitive to physical flawing (fiber breakage, delamination, and matrix cracking). Vibrational NDE has many potential advantages that make it very attractive for composite applications. These include the ability to make global measurements of large structures in real-time, no geometry restrictions, and high sensitivity to a wide variety of damage states.
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  • 53
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    Polymer Engineering and Science 31 (1991), S. 56-60 
    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: Resin transfer molding (RTM) of advanced fiber architecture materials promises to be a cost effective process for obtaining composite parts with exceptional strength. However there are a larger number of material processing parameters that must be observed, known, and/or controlled during the resin transfer molding process. These include the viscosity both during impregnation and cure. In-situ sensors which can observe these processing properties within the RTM tool during the fabrication process are essential. This paper will discuss recent work on the use of frequency dependent electromagnetic sensing (FDMS) techniques to monitor these properties in the RTM tool. Our objective is to use these sensing techniques to address problems of RTM scaleup for large complex parts and to develop a closed loop, intelligent, sensor controlled RTM fabrication process.
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  • 54
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    AIChE Journal 37 (1991), S. 111-122 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The time-averaged void fraction, pressure drop and flow regime transition behavior of horizontal air-water two-phase flows is studied experimentally and numerically for 2-cm-inner-diameter tubes with various flow dividing junctions at its end. The time-average void and pressure drop behavior along the channel is simulated using a two fluid separated flow model. The results show that two-phase behavior (flow regime, void fraction, and pressure drop) is affected strongly by the presence of a flow division in the system. These effects extend far upstream of the junction for low-momentum flows and far downstream for high-momentum flows. Both numerical and experimental results show that there occurs a large increase in void just downstream of the junction owing to the halving of the fluid volume flow rates and the liquid deceleration.
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  • 55
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    AIChE Journal 37 (1991), S. 137-141 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 1 Ill.
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  • 56
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 37 (1991) 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 57
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    AIChE Journal 37 (1991), S. 169-181 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Nonequilibrium diffusion behavior in nonionic and ionic surfactant microemulsion systems has been studied experimentally using the open-ended capillary method. Experimental results for these systems have been compared with a drop theory of diffusion for microemulsions under conditions where large concentration and electrostatic gradients exist. The results show good agreement in concentration profiles between theory and experiment for the microemulsion components - water, benzene, and phenol. Furthermore, under certain conditions the theory predicts that over a limited time interval phenol will diffuse from low-concentration regions to regions of higher concentration. This phenomenon has been observed.
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  • 58
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    AIChE Journal 37 (1991), S. 225-232 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Three parametric sensitivity criteria were examined for application to a pseudohomogeneous tubular reactor system, in which both methanol dehydration (exothermic) and methanol dissociation (endothermic) were catalyzed. The addition of the endothermic reaction was shown to lead to a desensitized reactor. It was illustrated, however, that the relative activities of the two catalysts should be somewhat similar to maintain the overall conversion of the resulting reactor for a given residence time.The three criteria investigated tended to disagree with one another more, as the system was made less sensitive by the addition of more endothermic catalyst. A potential application of the resulting nonsensitive reactor design would be in methanol-fueled vehicles.
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  • 59
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    AIChE Journal 37 (1991), S. 597-606 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The tray hydrodynamics were determined for a system containing water and kerosene as immiscible liquids. Plates with hole diameters ranging from 3.18 to 12.70 mm were used in a 44.5-cm2 perspex air-water-kerosene simulator. Experiments were also carried out in a 50-mm-ID column using different depths of oil and water mixtures to study the drop and bubble mechanisms. A spray-to-bubble transition occurred for the two liquid-phase system experiments. The liquid holdup at the transition increased directly with gas velocity and hole diameter, and decreased with increasing free area. At the same hole velocity, the presence of two liquid phases caused the transition to occur at different liquid holdups than for the single pure liquid. Two different modes of coalescence were observed in the small column work. New correlations have been proposed for the liquid holdup at the transition which allow for the presence of two liquid phases.
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  • 60
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 2 Ill.
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  • 61
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    AIChE Journal 37 (1991), S. 803-803 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
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  • 62
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    AIChE Journal 37 (1991) 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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    AIChE Journal 37 (1991), S. 1009-1018 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A computational study of fully-developed flow of gas-particle suspensions in vertical pipes was carried out, using the model proposed recently by Sinclair and Jackson (1989), to understand the predicted scale-up characteristics. It was shown that the model can capture the existence of steady-state multiplicity wherein different pressure gradients can be obtained for the same gas and solids fluxes. A pronounced and nonmonotonic variation of the pressure gradient required to achieve desired fluxes of solid and gas with tube diameter was predicted by the model, and this is explained on a physical basis. The computed results were compared with the experimental data. The model manifests an unsatisfactory degree of sensitivity to the inelasticity of the particle-particle collisions and the damping of particle-phase fluctuating motion by the gas.
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    AIChE Journal 37 (1991), S. 1109-1112 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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    AIChE Journal 37 (1991), S. 1121-1128 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The solubility of L-serine in water was measured as a function of temperature, and the solubility in methanol-water solutions was determined as a function of temperature and methanol concentration. Solubility in aqueous solutions was found to be a linear function of temperature. Additionally, a statistical design of experiments was used to identify the kinetic variables that influence the purity of L-serine crystals recovered by batch crystallization. Agitation and the rate at which super-saturation was generated through cooling and methanol addition were found to influence the methanol content of the recovered crystals. The size of the recovered crystals also was found to depend on agitation and the rate at which methanol was added to the L-serine mother liquor.
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    AIChE Journal 37 (1991), S. 1139-1150 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: An emulsion layer model is presented which predicts the thickness of a downward-moving emulsion layer along the wall of a circulating fluidized bed, the mean solids velocity, and the solids flux in the layer. Also presented is a heat transfer model which, in combination with the emulsion layer model, predicts the low-temperature data very well. An alternate slab model proposed for the radiative component in a high-temperature circulating fluidized bed agrees well with experimental data. The heat transfer predictions of the overall model for such operating parameters as solid circulation flux, suspension temperature, length of the heat transfer surface, superficial gas velocity, and mean particle size are in good agreement with the published data for long surfaces.
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  • 67
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    AIChE Journal 37 (1991), S. 1187-1195 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The sorption behavior of water and ethanol on starch material has been investigated in relation to the adsorptive separation of water from ethanol. The adsorption isotherms of water-starch, ethanol-starch and water-ethanol-starch were measured using a Cahn electrobalance. Careful examination of the many sorption isotherm models resulted in selection of Sircar's model and the potential theory to best represent the isotherm data of water-starch and ethanol-starch adsorption. Experimental results showed that ethanol as well as water can adsorb on starch. The adsorption rate of ethanol, however, is much slower than that of water. This suggests that the selective removal of water from ethanol vapor in a packed-bed adsorber is likely a rate-dependent, not an equilibrium-dependent, process.
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    AIChE Journal 37 (1991), S. 1196-1204 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The influence of various operating and liquid-phase physical variables on interfacial area ab in cylindrical and spherical gas-liquid stirred contactors was studied using the sulfite method. Studied were stirring speed, sparger porosity, gas flow rate, liquid-phase temperature, surface tension, and pH.The results show that the influence of operating variables (gas flow rate Qg, stirring speed ω, and the average pore radius of the sparger used rp) on ab, for both types of contactors, can be given by the equation: \documentclass{article}\pagestyle{empty}\begin{document}$$ a_b = Q_g^{0.5} \left({\frac{{k_1 }}{{k_2 }} + \frac{{k_2 }}{{r_p^{1.5} }}\omega } \right) $$\end{document} Dependency of ab on surface tension observed was believed to be caused by a rising rate of bubble coalescence with increased surfactant concentration. The higher the surfactant concentration, the lower ab, tending to a limit that depends on both the type of surfactant and the average size of sparger pore used. Due to the measurement method used, solution pH and temperature were also observed to influence ab.
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    AIChE Journal 37 (1991), S. 1219-1226 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A correlation was developed to quantitatively describe the flux in a high-speed rotating filtration device using a minimum set of parameters. The experimental results were found to be consistent with the concentration polarization (CP) model. Beyond a threshold pressure flux ceases to depend on membrane permeability. The CP model was modified to include the concentration dependence of the diffusivity. This approach was found to be consistent with the strong dependence of flux on pH. Protein concentration in the polarized layer adjacent to the membrane surface was estimated using a procedure that corrects for some of the inconsistencies in the methods usually applied. Four dimensionless numbers were necessary to correlate the experiments with good accuracy. Previously-reported correlations used only three dimensionless numbers. Usage of four numbers could be justified by dimensional analysis. Finally, the performance of rotary or vortex filtration was compared to that of other configurations.
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    AIChE Journal 37 (1991), S. 1255-1260 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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    AIChE Journal 37 (1991), S. 1249-1254 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 4 Ill.
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  • 72
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    AIChE Journal 37 (1991), S. 1270-1274 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 4 Ill.
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  • 73
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    AIChE Journal 37 (1991), S. 1305-1317 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The problem of freely-suspended liquid droplets deforming due to an applied electrostatic field is examined. Developed is a numerical model capable of predicting the complete transient histories of droplets in systems with a wide range of dispersedand continuous-phase densities, viscosities, relative permittivities, and electric field strengths. For liquid/gas systems, the predictions of the numerical model demonstrated that the critical field strength and critical permittivity ratio during actual transient breakup are not necessarily the same as those predicted by steady-state theories. An approximate analytical model of transient droplet deformation is also developed, which is able to predict the deformation time histories for large Ohnesorge number, small-deformation liquid/liquid systems. The approximate analytical model agreed well with the results of the complete numerical model.
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    AIChE Journal 37 (1991), S. 1341-1353 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: We present an explicit analytical solution for the Lévêque's problem with the boundary condition of the third kind. This solution is applicable to problems of mass (heat) transfer with surface reaction (surface resistance) in the entry region of fully developed flow fields of power law fluids, and to the developing boundary layer flows that admit Falkner-Skan solutions, provided that the Schmidt (Prandtl) number is large. The series form of the solution developed by inversion of the Laplace transform has excellent convergence properties within the concentration (temperature) boundary layer in contrast to the integral forms that are usually reported for problems of this type. An efficient computational algorithm for evaluation of the surface concentration is presented, as well as accurate approximate formulas in the form of simple algebraic expressions for the local and average mass (heat) transfer coefficients and the surface concentration (temperature).
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    AIChE Journal 37 (1991), S. 1789-1800 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The finite element method was used to model microwave thawing of pure-water and 0.1-M NaCl cylinders. The electromagnetic field was described by Maxwell's equations with temperature-dependent dielectric properties, while the heat equation, coupled with the Stefan and Robin conditions, was used to describe the thawing process. An additional equation for the frozen volume fraction was used, when necessary, to account for the presence of a mushy region. Two microwave frequencies, 915 MHz and 2,450 MHz, were examined and the microwave radiation was assumed to be radially isotropic and normal to the surface of the cylinder. Results show that a two-phase mushy region may exist, and an additional thawing front may appear at the center of the cylinder. Salt cylinders have a higher dielectric loss than pure-water cylinders and therefore thaw more quickly. Internal resonance occurs when the wavelength of the radiation is a harmonic of the cylinder radius. Resonance increases power deposition and expedites the thawing process. The onset of resonance alters thawing times and complicates the development of heuristic rules for microwave thawing.
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    AIChE Journal 37 (1991), S. 1833-1843 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: An experimental study of the dynamics of electrodissolution of iron in sulfuric acid is reported. The experiments were done under potentiostatic conditions with a rotating disk electrode as a function of two parameters, potential and electrode diameter. The dynamic behavior depends strongly on the latter parameter; with increasing electrode size we observe transitions from periodic oscillations to low-order chaos to higher-order chaos. The attractor dimension increases with increasing electrode size. In addition, for the large electrodes at more positive potentials, a secondary higher frequency oscillation also arises.
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    AIChE Journal 37 (1991), S. 1863-1874 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A generalized technique for modeling resist performance is outlined. In this approach, the fraction of resist remaining after development as a function of incident dose, or characteristic curve, is related to the development rate which is assumed to be a power law of a dominant soluble species. Soluble species are either photochemically consumed for negative resists or generated for positive. Expressions for the dependence of characteristic curves on exposure dose and chemistry are derived for various resist systems, which are consistent with current models. For similar chemical kinetics, negative resists yield fewer lumped parameters to describe their development rate and characteristic curves than positive.Under conditions of negligible surface inhibition, lumped parameters can be extracted from characteristic curves and used to simulate lithography. A generalized method to correct for absorption in the resist and reflections is outlined. Exposure latitude was accurately predicted for a commercial negative chemically amplified resist. However, prediction of linewidths from characteristic curves of positive resists is complicated by surface inhibition effects.
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    AIChE Journal 37 (1991), S. 1905-1906 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
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  • 79
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    AIChE Journal 37 (1991), S. 429-436 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The sensitivity of the calculated micropore size of zeolite Y in a fluidized cracking catalyst based on empirical models for argon adsorption has been tested by examining the effect of curvature and by systematically verifying the magnitude of physical constants in the model equations. With a consistent set of physical parameters the slit model provided a pore size value of 0.45 nm, while the new cylindrical models provided values of 0.69 and 0.74 nm. The latter values are found to correspond well with the known aperture size of zeolite Y, 0.74 nm. By separately varying the magnitudes of five of the physical constants in the model over a range of ±30%, it was concluded that the diameter of the oxide ion at the surface had a large effect on the calculated pore size, while the other parameters had only moderate to small effects. Preliminary application of the cylindrical pore model to isotherms of argon on other zeolites and molecular sieves leads to promising results, especially for medium to large pore zeolites. These results suggest that the cylindrical pore model is a useful means for the transformation of argon adsorption data on a zeolite into a micropore size distribution.
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    AIChE Journal 37 (1991), S. 461-465 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 3 Ill.
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    AIChE Journal 37 (1991), S. 448-460 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Efforts to model the turbulent flow in stirred tanks require accurate boundary conditions at the tip of the impeller, not just of velocities, but of the turbulence quantities k and ε. Kolar's (1982) phenomenological, swirling radial jet model of the impeller region is extended by using a two-equation k - ε turbulence model to obtain direct estimates of k and ε on the impeller periphery. The model is extended and clarified, so that the number of parameters required for its application is reduced to two: the rotational speed and the diameter of the impeller. Three-dimensional simulations allow a realistic treatment of the baffles. Agreement of the modeling results with recently published experimental data is excellent. This is particularly true in the important impeller discharge zone, where details of the predicted behavior of the turbulence kinetic energy and dissipation rate are in quantitative agreement with the available data. Based on these results, average values of ε are calculated, along with the zones over which the apply. For the impeller discharge zone, the dimensionless, volume-averaged ε is 0.19.
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    AIChE Journal 37 (1991), S. 475-479 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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    AIChE Journal 37 (1991), S. 499-511 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Simple distillation columns with ideal vapor-liquid equilibrium may display multiple steady-state solutions. Two fundamentally different sources for the multiplicity are presented. Both bring about the unexpected result that increasing reflux makes separation worse in the top part of the column. It corresponds to an unstable operating point.The first type of multiplicity is found for columns with mass or volume inputs (e.g., mass reflux and molar boilup). Even for constant molar flows, the transformation from the actual input units to molar units may become singular (corresponding to a pitchfork bifurcation point), resulting in multiple steady-state solutions. The results are highly relevant in practice, as industrial columns usually have inputs on a mass or volume basis. The second type for specifications on a molar basis (e.g., molar reflux and molar boilup) depends on the presence of an energy balance in the model. The multiplicity is caused by interactions between flows and compositions in the column.
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    AIChE Journal 37 (1991), S. 547-554 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The interstitial pressure buildup and the internal stresses on the skeleton of a cylindrical green body during burnout are analyzed numerically. The intrinsic kinetics of pyrolysis is coupled with the Carman-Kozeny equation or the slip-flow model of Wakao and Smith to evaluate the pressure distribution. The stress distributions before failure are estimated from elasticity theory. The stresses are tensile, and their maxima are located at the center of the cylinder. The tangential stress is larger than the radial stress. The effects of green body size, specific surface area, and pressurized atmosphere are discussed. The approximate solution is accurate for small green bodies. The pressurized atmosphere reduces the interstitial pressure and the internal stresses effectively.
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    AIChE Journal 37 (1991), S. 617-628 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Recent advances in knowledge engineering have led to develop the qualitative (deep) model based diagnostic systems. As process knowledge accumulated, however, the diagnostic system remains strictly qualitative. This limits the usefulness of such systems. In this work, a framework is developed for integrating quantitative process knowledge into the qualitative model. Once quantitative process information, e.g., steady-state gains, is available, it can be incorporated into the simplest qualitative process model called the signed directed graph. The quantitative process knowledge is described in terms of membership functions of fuzzy set theory. According to the measurement pattern, the truth values of a hypothesis (e.g., a fault origin) can be calculated based on the fuzzy logic. Consequently, the diagnostic resolution can be improved significantly. Furthermore, the proposed method becomes a strictly qualitative diagnostic system, if no quantitative information is available. A chemical reactor example illustrates the design and performance of the qualitative/quantitative model-based diagnostic system. The proposed approach can also be extended to the multiple-fault situations in a straightforward manner.
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    AIChE Journal 37 (1991), S. 641-649 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Ignition, extinction and autothermal behavior of surface and homogeneous oxidation reactions of CH4, NH3, and mixed NH3/CH4 fuel systems in air over resistively heated Pt foils was studied in an atmospheric pressure flow reactor. Also examined were the effects of varying fuel concentration on the ignition, extinction, and autothermal surface temperatures. Heterogeneous ignition occurred at ∼200°C for NH3 and at ∼600°C for CH4. The mixed fuel systems exhibited two surface ignitions (∼200°C and ∼600°C), implying a sequential ignition of the two fuels. The effects of removing one of the fuels during autothermal operation gave results consistent with this hypothesis.In homogeneous ignition, two types of flames were observed: a boundary layer flame associated with NH3 systems and an independent flame observed in all systems. Homogeneous ignition of the two fuels and the mixtures occurred at surface temperatures ranging from 1,100°C to 1,600°C and appeared to be dominated by CH4 in the mixed systems. A generic behavior is proposed for homogenous-heterogeneous combustion of single and mixed fuels.
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    AIChE Journal 37 (1991), S. 679-686 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: High-surface-area, Zr-pillared, layered clays are synthesized and characterized for their adsorption properties. Although large free interlayer spacings are claimed in the literature (as also found in this work, 14.3 Å), the limiting pore size is the narrow interpillar spacing. The distribution of interpillar spacing is determined by molecular probing and adsorption data along with a theoretical framework available from the literature. Interpillar spacing can be tailored by controlling the number density of pillars inserted during the ion exchange (oligomer inserting) step. The following variables in the ion exchange solution result in lowering the pillar density: higher pH, lower oligomer concentration, and introduction of competitive cations. By changing these variables, peak interpillar spacing is shifted by nearly 2 Å (from 5 to 7 Å). The versatility of pillared clays as sorbents for kinetic separation (i.e., separation based on diffusivity differences) has been demonstrated by the separations of air and xylene isomers.
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    AIChE Journal 37 (1991), S. 769-779 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Adsorption of air in 5A zeolites was studied using Monte Carlo simulations in the grand canonical ensemble (μ, V, T constant). Site-site potentials were used to model the adsorbate-zeolite and adsorbate-adsorbate interactions. The potential model contains one adjustable parameter that was fit to a single experimental isotherm data point. Adsorption isotherms and heats of adsorption were determined for pure argon, oxygen, and nitrogen at 203.15 K, 233.15 K, and 297.15 K from 0.1 bar to 4.0 bar. Multicomponent adsorption isotherms were determined for binary mixtures of oxygen and nitrogen at 203.15 K. The results for the pure-component isotherms are in excellent agreement with experimental data. The results for the heat of adsorption are in good agreement with experimental data for argon and oxygen, but not for nitrogen. The results for multicomponent adsorption isotherms are qualitatively correct; however, the simulation was not able to quantitatively predict mixture data.
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    AIChE Journal 37 (1991), S. 836-844 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Equilibrium adsorption data for the N-benzoyl derivatives of D- and L-phenyl alanine in water/propanol solutions have been determined on a chiral-selective stationary phase, bovine serum albumin immobilized on silica. These data are well accounted for by an isotherm equation resulting from the sum of two Langmuir terms. The first term corresponds to the chiral-selective interactions, and the second to the nonselective molecular interactions between the enantiomers and the stationary phase. The individual band profiles of the two enantiomeric amino acids, either pure or in binary mixtures of various compositions, are predicted exactly by an equilibrium dispersive model using this bi-Langmuir isotherm. A classical Langmuir isotherm fails to predict these band profiles, illustrating the importance to collect accurate adsorption data and to use a correct isotherm model when calculating chromatographic band profiles.
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    AIChE Journal 37 (1991), S. 871-885 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Waxy crude oils are highly non-Newtonian materials known to cause handling and pipelining difficulties and whose flow properties are time- and history-dependent. Experimental techniques are described that enable reproducible steady-state flow property data to be obtained from rotational viscometers. The flow properties are shown to depend strongly on the shear rate applied during cooling (shear history effect). This leads to a definable minimum operating point below which flow in a waxy crude oil pipeline would cease. Modified pipeline design techniques are presented for both laminar and turbulent flow at temperatures below the pour point, and it is shown that existing techniques overestimate the flow rate in laminar flow by the order of 100%. The modified design techniques can be used to quantitatively assess the performance of flow improver (pour point depressant) additives under steady-state conditions.
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    AIChE Journal 37 (1991), S. 915-922 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Direct conversion of methane into higher hydrocarbons (ethane, ethylene, and to small extent C3-4 hydrocarbons) by its partial oxidation with oxygen in the absence of catalyst has been investigated. It was carried out in a quartz flow reactor at atmospheric pressure under nonflame conditions at different temperatures (1,123-1,273 K), CH4/O2 ratios (1.7-9.0), space velocities (500-5,000 h-1), and water concentrations (0.0-80 mol %) in the feed. No coke deposition was observed in the reactor, but there was a formation of small amounts of tarry matter in the reaction at ≥ 1,223 K, particularly for the lower CH4/O2 ratios (≤3.5). The product distribution in the process was strongly influenced by the dilution of feed with N2 or water. Addition of water in the feed was highly beneficial to obtaining higher yield and/or to selectivity for the higher hydrocarbons and suppressing almost completely the formation of tarry matter.
    Additional Material: 10 Ill.
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  • 92
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 37 (1991), S. 953-954 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 93
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 37 (1991), S. 961-961 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
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  • 94
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 37 (1991), S. 931-943 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: An important application of the recently developed techniques in qualitative mathematical modeling is to qualitatively predict how changes in the operation of chemical units affect their behavior. Weld (1987, 1988a,b) has developed a series of comparative techniques that analyze the effect of perturbations to the parameters of a given qualitative unit model. In this article we demonstrate a system, based on the qualitative process theory of Forbus (1984), which extends comparative analysis in two ways. First, it predicts the effects of changes in the qualitative equations and in parameter values. Secondly, it compares physical descriptions, rather than comparing models directly, and builds and compares the associated models automatically.
    Additional Material: 13 Ill.
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  • 95
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 37 (1991), S. 955-957 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 96
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 37 (1991), S. 963-985 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The onset of three-dimensional reaction-driven convection in a porous medium is investigated using linear stability theory. The geometries investigated include a finite cylinder and a rectangular parallelepipped of arbitrary aspect ratios. The analysis determines, among other things, the likely modes (flow patterns) to emerge first as a function of reaction parameters and aspect ratios. The flow fields corresponding to three-dimensional modes are described in detail. Important qualitative differences are found between reaction-driven convection and the standard Lapwood or Bénard convection due to a temperature gradient applied to the boundaries of the system.The second part of the work examines numerically reaction-driven natural convection in a porous two-dimensional rectangular box. Orthogonal collocation and continuation techniques are used to determine the conduction and convection branches of solutions as a function of the Rayleigh number (Ra), the Frank-Kamenetskii number (δ) and the aspect ratio (α). The convective solutions (streamlines and isotherms) corresponding to primary, secondary and tertiary bifurcations are presented. The effect of natural convection (Ra) on the ignition point (critical δ value) is determined for three different aspect ratios.
    Additional Material: 34 Ill.
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  • 97
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 37 (1991), S. 1027-1034 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A theoretical model comprising the processes of micropore, macropore and surface diffusion was derived and applied to the dynamics of adsorption of CO2 on a single activated-carbon particle. The effects of a nonlinear isotherm (Langmuir), particle nonisothermality and concentration dependence of the surface diffusivity were also incorporated. The theoretical model was fitted to a preliminary set of adsorption experimental data (two particle sizes, and various temperatures and concentrations) to determine the diffusion coefficients. The validity of the theoretical model was checked by using the model, with fitted diffusivities, to simulate dynamic adsorption curves at conditions different from those of the preliminary fitting data set. These model simulations were found to predict the experimental data in a satisfactory manner.
    Additional Material: 6 Ill.
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  • 98
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 37 (1991), S. 1333-1340 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: In chromatographic separations involving elutes with large differences in the molecular size, the adsorption saturation capacities of the elutes may differ because of the differences in the degree of size exclusion. With uneven saturation capacities, isotherm crossovers may occur, which often results in selectivity reversal. In this work, a new multicomponent isotherm has been developed for this kind of system. The isotherm is an extension of the common multicomponent Langmuir isotherm and introduces no or a very limited number of new parameters for its construction. The isotherm crossover conditions have also been derived. Simulations based on a general rate model using the new isotherm have successfully demonstrated the phenomena of peak reversal and crossover of breakthrough curves.
    Additional Material: 7 Ill.
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  • 99
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 37 (1991), S. 1589-1592 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
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  • 100
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 37 (1991), S. 1601-1606 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Oscillations of a conducting drop immersed in a dielectric fluid in an alternating electric field were modeled to understand the enhancement of transport processes by the electric field. Numerical solutions for oscillation amplitude, velocity distribution, resonant frequency and streamlines were obtained. The effects of viscosity and density on the resonant frequency and the velocity distribution were investigated. It was found that the resonant frequency of viscous fluids was always smaller than the free oscillation frequency of the same droplet. The predicted scanning frequency response curve and the streamlines agree well with the experimental observations.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
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