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  • 1
    Electronic Resource
    Electronic Resource
    Simulation of hydrolytic polymerization of .epsilon.-caprolactam in various reactors. A review on recent advances in reaction engineering of polymerization (1983)
    s.l. : American Chemical Society
    Industrial and engineering chemistry 22 (1983), S. 192-206 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/i300010a007
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  • 2
    Electronic Resource
    Electronic Resource
    Conformational and Packing Stability of Crystalline Polymers. IV. Polyethers [-O(CH2)m-]n and Polythioethers [-S(CH2)m-]n with m = 2 and 3 (1974)
    s.l. : American Chemical Society
    Macromolecules 7 (1974), S. 507-515 
    Details
    ISSN: 1520-5835
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ma60040a019
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  • 3
    Electronic Resource
    Electronic Resource
    The kinetics of hydrolytic polymerization of ∊-caprolactam. IV. Theoretical aspect of the molecular weight distribution (1980)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 25 (1980), S. 1789-1792 
    Details
    ISSN: 0021-8995
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/app.1980.070250826
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  • 4
    Electronic Resource
    Electronic Resource
    The simulation of hydrolytic polymerization of ε-caprolactam in various reactors: A simulation model for the tubular reactor with heat exchanger and its numerical solution (1983)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 28 (1983), S. 2527-2540 
    Details
    ISSN: 0021-8995
    Keywords: Chemistry ; Polymer and Materials Science
    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 concrete simulation model which deals with the hydrolytic polymerization of ε-caprolactam (CL) in the tubular reactor (TR) with the heat exchangers (HEx's) was described, and a method for its numerical solution was presented. The numerical calculations were carried out for 13 cases, where the position and number of the HEx's in the TR were varied. The effects of the HEx on the distribution of the temperature in the TR and of the characteristic data of the polymerization (the concentration of CL and number average degree of polymerization) in the TR and at the outlet of the TR were investigated. The results suggested that the HEx positioned at the upper half of the TR and the HEx positioned at the lower half of the TR are effective to narrow the temperature distribution in the TR and to produce the polymer product with narrower molecular weight distribution, respectively.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/app.1983.070280807
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  • 5
    Electronic Resource
    Electronic Resource
    The kinetics of hydrolytic polymerization of ε-caprolactam. II. Determination of the kinetic and thermodynamic constants by least-squares curve fitting (1980)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 25 (1980), S. 77-87 
    Details
    ISSN: 0021-8995
    Keywords: Chemistry ; Polymer and Materials Science
    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 kinetic and thermodynamic constants of the hydrolytic polymerization of ∂-caprolactam were determined by least-squares curve fitting. The calculations were carried out using observed kinetic data such as concentration of ∂-caprolactam ([CL]), endgroup ([EG]), and ∂-aminocaproic acid ([ACA]) and time derivatives of each concentration (rates) ∂[CL]/∂t, ∂[EG]/∂t, and ∂[ACA]/∂t. The sets of the converged constants are obtained for the initial water concentrations of 0.42, 0.82, and 1.18 mole/kg. An averaged set of the constants applicable for this range of the initial composition was also evaluated. The compatibility between observed and calculated concentration and rate curves was improved by the use of the newly developed sets of the constants. The mechanism of the polycondensation reaction is also discussed, based on the rate and kinetic constants obtained by this work.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/app.1980.070250108
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  • 6
    Electronic Resource
    Electronic Resource
    The kinetics of hydrolytic polymerization of ε-caprolactam. V. Equilibrium data on cyclic oligomers (1982)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 27 (1982), S. 2791-2796 
    Details
    ISSN: 0021-8995
    Keywords: Chemistry ; Polymer and Materials Science
    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 concentrations of the cyclic oligomers (Ci; i = 3, 4, 5, and 6) in the polymeric products of ε-caprolactam were determined by high-performance liquid chromatography. The equilibrium data on the oligomers were obtained as a function of the polymerization temperature and initial water concentration. The concentration of each oligomer in the equilibrated polymer was found to increase with the temperature and/or initial water concentration. A set of the kinetic equations to express the oligomer formation during the polymerization was also proposed.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/app.1982.070270805
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  • 7
    Electronic Resource
    Electronic Resource
    The simulation of hydrolytic polymerization of ∊-caprolactam in various reactors (1982)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 27 (1982), S. 731-746 
    Details
    ISSN: 0021-8995
    Keywords: Chemistry ; Polymer and Materials Science
    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 concrete simulation models dealing with the kinetic behavior of the hydrolytic polymerization of ∊-caprolactam (CL) in various polymerization reactors used in the industry were described, and the method for their numerical solutions was presented. The characteristic data of the polymerization such as the concentrations of CL, end group, water, ∊-aminocaproic acid, cyclic dimer, and the hot-water-soluble component, conversion, number average, and weight average molecular weights, and solution and melt viscosities can be calculated at every stage of the polymerization reaction, at every part of the reactors, and/or at the outlet of the reactors. The calculated values based upon the models were found to be quite compatible with the observed values for the reactors. The applicability of the technique was well confirmed for the quality control, process control, modification of existing plants, and development of new chemical process plants.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/app.1982.070270234
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  • 8
    Electronic Resource
    Electronic Resource
    The kinetics of hydrolytic polymerization of ∊-caprolactam (1979)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 24 (1979), S. 211-224 
    Details
    ISSN: 0021-8995
    Keywords: Chemistry ; Polymer and Materials Science
    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 method to determine the concentration of ∊-aminocaproic acid (ACA) in poly-∊-caprolactam by high-pressure liquid chromatography is established. The polymerizations for initial water concentrations of 0.42, 0.82, and 1.18 mol/kg and temperatures of 230, 240, 250, 260, 270, and 280°C were performed and concentration-versus-time curves were obtained for ACA, ∊-caprolactam (CL), and endgroups (EG). Each curve for ACA and EG has a maximum which increases monotonically in its value and shifts from right to left in position with increasing either the temperature or the initial water concentration. The reaction rates of CL, EG, and ACA were also evaluated numerically from the concentration data. The observed kinetic data were compared with those obtained by the numerical solution of the rate equations with Reimschuessel's kinetic constants. Good agreement is found in CL and EG concentrations but discrepancies in ACA concentration and rates are considerable, particularly in the early stage of the polymerization.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/app.1979.070240119
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  • 9
    Electronic Resource
    Electronic Resource
    Conformational and packing stability of crystalline polymers. VI. Stable chain packing of polyethylene (1976)
    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Physics Edition 14 (1976), S. 783-797 
    Details
    ISSN: 0098-1273
    Keywords: Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The stable packings of polyethylene chains were investigated by intermolecular potential energy calculations based on various chain-assembly models. The structures of the two crystal modifications of polyethylene (i.e., orthorhombic and the monoclinic), together with their cell constants and the setting angles, were well reproduced. The packing modes of polymethylene chains found in various alkane derivatives were also explained by the energy minima of the chain-assembly models. In these calculations, several sets of potential functions were tried and three sets of functions were found to reproduce conformations of single polymer chains, the cell constants of polyethylene at low temperature, and those at room temperature.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pol.1976.180140502
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  • 10
    Electronic Resource
    Electronic Resource
    Conformational and packing stability of crystalline polymers. II. Several isotactic helical polymersFor Part I, see Hasegawa et al.1 (1973)
    New York : Wiley-Blackwell
    Journal of Polymer Science: Polymer Physics Edition 11 (1973), S. 825-840 
    Details
    ISSN: 0098-1273
    Keywords: Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The most stable conformations of typical isotactic helical polymers, polypropylene (PP), poly-4-methyl-1-pentene (P4MP), poly-3-methyl-1-butene (P3MB), polyacetaldehyde (PAA), and poly(methyl methacrylate) (PMMA), were analyzed without fixing the fiber identity period by taking into account the intramolecular potential energy due to the internal rotation barriers, and van der Waals and electrostatic interactions. According to the results of the calculations, the number of chemical units per turn N in the stable conformations is 2.91 for PP (value determined by x-ray diffraction: 3.0), 3.52 for P4MP (3.5), 4.17 for P3MB (4.0), and 3.94 for PAA (4.0). This indicates that the molecular conformations of these four polymers are governed primarily by intramolecular interactions, i.e., steric hindrance of side chains, and are additionally modified by the intermolecular interactions in the crystal. For PMMA, the lowest minimum in the potential map corresponds to N = 12, but the energy difference between the minima of N = 12 and N = 5 (corresponding to the actual one) is only 3 kcal/mole of monomer unit. The (5/1) helix of PMMA may be reasonably interpreted in terms of the intermolecular interactions mainly due to the polar and bulky side groups. The intermolecular interaction energy of isotactic PAA in the crystal lattice is also calculated and discussed.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pol.1973.180110502
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