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  • Monte Carlo simulations  (2)
  • 4-dimethylaminopyridine  (1)
  • 1
    Digitale Medien
    Digitale Medien
    Springer
    Journal of inorganic and organometallic polymers and materials 9 (1999), S. 63-77 
    ISSN: 1572-8870
    Schlagwort(e): Octamethylcyclo-di(meta-silphenylenesiloxane) ; poly(silphenylene-siloxane) ; synthesis ; X-ray structure ; 4-dimethylaminopyridine
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Octamethylcyclo-di(meta-silphenylenesiloxane) 1 (cyclic meta-dimer) was synthesized from 1,3-bis(dimethylhydroxysilyl)benzene 7 in a dilute THF solution, in the presence of a catalytic amount of 4-dimethylaminopyridine (DMAP). In contrast, only small amounts of the cyclic meta-dimer 1, cyclic meta-trimer 2, cyclic meta-tetramer, etc. were obtained when the condensation reaction was carried out with the catalyst n-hexylamine 2-ethylhexoate or sodium hydroxide. The major product in these reactions is polymer 8. The structure of compound 1 was confirmed by X-ray crystallography. This cyclic molecule is most likely unstrained since the X-ray structure reveals that the Si–O–Si bond angle is 142.1(1)° which is similar to that in most unstrained siloxane compounds.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 2
    Digitale Medien
    Digitale Medien
    Springer
    Journal of computer-aided materials design 4 (1997), S. 19-28 
    ISSN: 1573-4900
    Schlagwort(e): Crystallization ; Monte Carlo simulations ; Copolymers ; Sequence distributions ; Melting points ; Moduli
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Maschinenbau
    Notizen: Abstract Strain-induced crystallization has always been important in the area ofelastomers (since the crystallites thus generated provide substantial in situreinforcement) and can be simulated using Monte Carlo methods to generatechains having representative sequence distributions for differentpolymerization conditions. The chains are then placed alongside one anotherto determine matched-sequence runs that could lead to the formation ofcrystallites.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 3
    Digitale Medien
    Digitale Medien
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 35 (1997), S. 2757-2764 
    ISSN: 0887-6266
    Schlagwort(e): Monte Carlo simulations ; polypropylene ; isotacticity ; sequence distributions ; crystallization ; degrees of crystallinity ; melting points ; mechanical properties ; moduli ; Physics ; Polymer and Materials Science
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Physik
    Notizen: The mechanical properties of polypropylene depend critically on the crystallizability of the chains, which depends in turn on their stereochemical structures. These dependences were investigated using Monte Carlo methods to generate chains having various stereochemical sequences and then scrutinizing parallel arrays of these chains to look for matches in isotactic stereochemistry that could lead to the formation of crystallites. The fraction of such units in matches, for example, gives a direct measure of the degree of crystallinity expected for the specified degree of isotacticity. Other quantities of interest obtainable in this way were the natures of the sequence distributions themselves, melting points, free energies of fusion, interfacial free energies, and moduli (calculated on the basis of the crystallites acting as crosslinks within an elastomeric network structure). © 1997 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 35: 2757-2764, 1997
    Zusätzliches Material: 8 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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