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  • Engineering  (847)
  • Organic Chemistry  (539)
  • Chemical Engineering  (437)
  • 1995-1999  (1,823)
  • 1980-1984
  • 1970-1974
  • 1996  (1,823)
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  • 1995-1999  (1,823)
  • 1980-1984
  • 1970-1974
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  • 1
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 39 (1996), S. 3065-3082 
    ISSN: 0029-5981
    Keywords: biomechanics ; damage ; finite element method ; plasticity ; standard generalized material ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Motivated by mechanical analysis of cancellous bone, a 3D constitutive law describing the simultaneous flow of rate-independent plasticity and damage is developed in the framework of thermodynamics of irreversible processes with internal variables. Following the hypothesis of standard generalized materials, a free energy and a dissipation potential are postulated and the associated flow rules derived with the tools of convex analysis. On the computational side, the classical implicit projection (or catching up) algorithm used in plasticity is extended to account for the additional flow of damage. Due to the existence of a dissipation potential, linearization of the incremental algorithm provides a symmetric tangent operator. Numerical resolutions of several boundary value problems and a biomechanical application are presented to illustrate the potential of the constitutive model and demonstrate the quadratic convergence of the algorithm.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Liebigs Annalen 1996 (1996), S. 1511-1522 
    ISSN: 0947-3440
    Keywords: Aminolysis ; Esters ; Catalysis ; Calculations, ab initio ; Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Model systems for the reaction of amines with esters were investigated with ab initio methods. Ammonia and methylamine were used as models for primary amines, and formic acid, methyl acetate, phenyl acetate, and p-nitrophenyl acetate were chosen to represent typical esters. Geometry optimizations were performed for all systems with the HF/6-31G** method, and relative energies were evaluated by using MP2/6-31G** single-point energies. The lowest barriers are found for the reaction of methylamine with p-nitrophenyl acetate. Reaction occurs in this case according to a direct displacement pathway, in which all bond formation and breaking occurs in a single step. Complexation of the transition structures by dimethyl ether or dimethoxyethane leads to much the same changes as observed for variation of the leaving group. Based on the ab initio data a force field for the calculation of transition state-catalyst complexation was developed. This force field as well as ground state complexation energies were employed to predict catalytic activities for a number of polyethers, polyalcohols, and pyrans, which in part, were also investigated experimentally.
    Additional Material: 12 Ill.
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  • 3
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 338 (1996), S. 92-94 
    ISSN: 0941-1216
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    International Journal for Numerical Methods in Fluids 22 (1996), S. 619-641 
    ISSN: 0271-2091
    Keywords: convective transport ; monotonicity ; finite volume ; boundary-fitted co-ordinates ; turbulence modelling ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: A formally third-order accurate finite volume upwind scheme which preserves monotonicity is constructed. It is based on a third-order polynomial interpolant in Leonard's normalized variable space. A flux limiter is derived using the fact that there exists a one-to-one map between normalized variable and TVD spaces. This scheme, which is relatively simple and quite compact, is implemented in a staggered general co-ordinates finite volume algorithm including the standard k-ε model and applied to the turbulence transport equations. A number of test problems demonstrate the utility of the proposed scheme. It is shown that in cases where turbulence convection is dominant, the application of a higher-order monotone convection scheme to the turbulence equations leads to results which are more accurate than those obtained using the first-order upwind scheme.
    Additional Material: 21 Ill.
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  • 5
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    International Journal for Numerical Methods in Fluids 23 (1996), S. 787-809 
    ISSN: 0271-2091
    Keywords: operator-splitting ; general algorithm ; characteristic-Galerkin ; laminar/turbulent ; incompressible ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: In an earlier paper, Zienkiewicz and Codina (Int. j. numer. methods fluids, 20, 869-885 (1995)) presented a general algorithm for the solution of both compressible and incompressible Navier-Stokes equations. The algorithm, based on operator splitting, permits arbitrary interpolation functions to be used while avoiding the Babŭska-Brezzi restriction. In addition, its characteristic based approach introduces a form of rational dissipation. Zienkiewicz et al. (Int. j. numer. methods fluids, 20, 887-913 (1995)) presented the application of this algorithm in its fully explicit form to various inviscid compressible flow problems. They also presented two incompressible flow problems solved by the fully explicit form, employing a pseudo compressibility. The present work deals with the application of the above algorithm it its semi-implicit form to some incompressible flow benchmark problems. Further, it extends the methodology to turbulent flows by employing both one, and two equation turbulence models. A comparison of results with earlier investigations is presented. Other issues addressed in this study include the effect of additional diffusion terms present in the scheme for both laminar and turbulent flow problems and some practical difficulties associated with local time stepping.
    Additional Material: 14 Ill.
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  • 6
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal für Praktische Chemie/Chemiker-Zeitung 338 (1996), S. 238-242 
    ISSN: 0941-1216
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Pyruvated di- and trisaccharide fragments representing the immunodominant side chains of Klebsiella K26 capsular polysaccharides are prepared. Phenyl 4′,6′-O-benzylidene-1-thio-β-D-lactoside (1) is converted in 4 steps into the corresponding pyruvated 1-thio-lactoside (2) and transformed into the imidate (4). Coupling of the latter with Z-protected 5-aminopentanol gives the pyruvated disaccharide fragment (6) upon deblocking. Similarly, imidate (4) is coupled to allyl 2,3-di-O-benzoyl-3-O-(1-fluoro-1,1,3,3-tetraisopropyl-1,3-disiloxane-3-yl)-α-D-glucopyranoside (8) to give the corresponding trisaccharide fragment upon deblocking.
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 39 (1996), S. 1017-1028 
    ISSN: 0029-5981
    Keywords: singular integrals ; Green's functions ; stiffness method ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A new technique is developed to evaluate the Cauchy principal value integrals and weakly singular integrals involved in the boundary integral equations. The boundary element method is then applied to analyse scattering of waves by cracks in a laminated composite plate. The Green's functions are obtained in discrete form through the thickness of the plate using a stiffness method. To circumvent the difficulties associated with the evaluation of hypersingular integrals due to the presence of cracks, the multidomain technique is applied. Numerical computations have shown the accuracy and reliability of the proposed technique. Scattered wave fields for a composite plate with a horizontal crack are computed. The numerical results show that the applications of the technique in non-destructive evaluation of defects is very promising.
    Additional Material: 5 Ill.
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  • 8
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 42 (1996), S. 277-284 
    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: 5 Ill.
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  • 9
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    International Journal for Numerical Methods in Fluids 22 (1996), S. 283-296 
    ISSN: 0271-2091
    Keywords: laminar flow ; numerical modelling ; particle image velocimetry measurement ; rotating disc ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: The fluid flow field within an enclosed cylindrical chamber with a rotating flat disc was calculated using a finite volume computational fluid dynamics (CFD) model and compared with particle image velocimetry (PIV) measurements. Two particular laminar cases near the Transitional flow regime were investigated: Reynolds number Re=2.5×1 4, chamber aspect ratio G (h/Rd)=0.2 and Re=4.2×104, G (h/Rd)=0.217. This enabled direct comparison with the numerical and experimental results reported by other researchers. The computational details and some major factors that affect the computed accuracy and convergence speed are also discussed in detail. PIV results containing some 4300 velocity vector points in each of seven planes for each case were obtained from the flow field parallel to the rotating disc. It was found that PIV results could be obtained in planes within the boundary layers as well as the core flow by careful use of a thin laser illumination sheet and correct choice of laser pulse separation. There was close agreement between numerical results, the present PIV measurements and other reported experimental and numerical results.
    Additional Material: 10 Ill.
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  • 10
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 42 (1996), S. 3102-3112 
    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 mathematical model was formulated to describe the reaction rate and the particle size distribution of solids in a fluidized bed for the chlorination of rutile by a CO/Cl2 mixture. The bubble assemblage model was applied to describe the gas behavior in the bed. The particle-size distribution in the bed was determined by a population balance. Predictions of the model gave satisfactory agreement with experimental results. The effects of important variables such as superficial gas velocity, exchange rate between the phases, and the reaction-rate constant were evaluated.
    Additional Material: 12 Ill.
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