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  • Polymer and Materials Science  (67)
  • Computational Physics
  • Dynamics, dynamical systems, lattice effects
  • 1
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Biopolymers 17 (1978), S. 1361-1372 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The optical properties of the 1,N6 - etheno derivative of ApA (εApεA) have been studied. Absorbance and CD measurements suggest that (1) neutral salts tend to unstack this molecule and (2) the stacking interaction is weaker than in ApA. εApεA is found to be quenched strongly with respect to the monomer. (εAMP); this quenching is solvent dependent (1M NaCl 〉 5M NaClo4〉40%glycerol) and increases with the ratio of temperature to viscosity (T/η) in each case. Fluorescence lifetime measurements also reveal a temperature- and solvent-dependent decay which is nonlinear on a semilog plot. In the presence of 95% glycerol, this decay return to linearity. These data have been considered from two points of view: (1) two-state pictures which are based on thermodynamic least-squares fit to quatum yield and CD curves, together with two exponential fits to the decay curves and (2) a dynamical model in which relatives fluorophore motion leads to deexcitation via intramolecular collision. A simple model of type (2) gives qualitative agreement with the observed behavior.
    Additional Material: 7 Ill.
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  • 2
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A series of Melanin-concentrating hormone (MCH) fragments have been synthesized and their biological activities compared with the parent peptide. The substructural units, 5-14 linear and 5-14 cyclic, have been used as models for MCH -  in 1H-nmr conformational studies. Conformational features predicted by molecular dynamics analyses find support in the nmr experiments.
    Additional Material: 5 Ill.
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  • 3
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Die Makromolekulare Chemie 180 (1979), S. 975-987 
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The scope and limitations of the potassium bromide disc technique for the infra-red determination of chain branching in small samples of polyethylene in powder form have been assessed. Many of the samples encountered have an average particle size, prior to grinding with potassium bromide, of about 100 μm and very satisfactory results have been obtained, but the presence of larger particles leads to poor quality discs and inferior results. The well established double beam technique proves suitable for removing the interfering methylene absorption and compensation with polymethylene in the form of a film rather than as a pressed disc is preferable. Difficulties were encountered in preparing branching standards in a uniform and fine powder form, to avoid variation of the absorption coefficient of the 1 378 cm-1 methyl band with particle size. Such powders are best obtained by precipitation from solution rather than by low temperature milling. Despite these problems chain branching measurements may be made with a precision of between 5 and 10% and an accuracy of about 15%.
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  • 4
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Die Makromolekulare Chemie 177 (1976), S. 437-448 
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Description / Table of Contents: Die Probleme, die bei Anwendung der Kompensationsmethode auf IR-spektroskopische Bestimmungen von niedrigen Verzweigungsgraden in Polyäthylenen hoher Dichte auftreten, werden systematisch untersucht. Die erzielbare Genauigkeit wird bestimmt und es wird gezeigt, daß, wenn möglich, eine Korrektur für die Methyl-Endgruppen angewendet werden sollte. Diese ist bei einigen Polymertypen leicht möglich, bei anderen hingegen schwieriger. Als Kompensationskeil im Referenzstrahl des Spektrometers verwendet man besser Polymethylen als hochmolekulares Polyäthylen. Die äußerste Empfindlichkeit, die mit der manuellen Kompensationsmethode erreicht werden kann, liegt bei einem Methylzweig pro 2000 C-Atome. Wenn diese Methode jedoch ergänzt wird durch Computer-Kurvendämpfung und Computer Mittelung über zahlreiche Momentspektren (“C.A.T.”), kann noch eine deutliche Verbesserung im Signal-Rausch-Verhältnis erzielt werden. Damit wird es möglich noch Verzweigungsgrade bis herunter zu 0,1 Methylgruppen pro 1000 C-Atome zu messen.
    Notes: The problems encountered in the infrared spectroscopic estimation of the low levels of chain branching present in high density polyethylene, using the compensation method, are discussed systematically. The precision to be expected has been determined and it is shown that, if possible, a correction should be applied for methyl groups present at the chain ends. This is feasible with some types of polymer but more difficult with others. The compensating wedge in the reference beam of the spectrometer should be made of polymethylene rather than a high molecular weight polyethylene. The ultimate sensitivity of the manual compensation method is about one methyl branch per two thousand carbon atoms. However, when this is supplemented by computer smoothing and off-line computation of average transients (C.A.T.), a significant improvement is obtained in the signal to noise ratio, and branching levels down to 0,1 methyl groups per thousand carbon atoms are readily measured.
    Additional Material: 2 Ill.
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  • 5
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 15 (1971), S. 811-828 
    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: An attempt has been made to rationalize the variables in the preparation procedure of Loeb-Sourirajan-type reverse-osmosis membranes. The quaternary phase diagram of the system cellulose acetate-acetone-formamide-water was determined and has proved a useful tool in the discussion of membrane structures and properties. A mechanism based on differences in the precipitation rate of the polymer during the membrane formation process has been suggested to explain the observed asymmetry in the membrane structure. The porosity of the membrane has been ascribed to the relative rates of water entering and solvent leaving the cast film. The effects of the casting solution composition, the evaporation time, the wash bath temperature, and the annealing procedure have been studied. X-Ray diffraction and electron microscopy were used to supplement flux and retention data of membranes made from a cellulose acetate-formamide-acetone casting solution.
    Additional Material: 14 Ill.
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  • 6
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 14 (1970), S. 1197-1214 
    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: Batch and flow recirculation cells were used to study the properties of high-flux ultrafiltration membranes with different macromolecular solutions. At low pressures, solutions of completely retained macromolecular solutes have a flux which is approximately the same as the flux of pure solvent. At higher pressures, the solution flux levels off. The flux, at the leveling-off period, is approximately inversely proportional to the solution concentration. In this plateau region the flux increases with temperature and agitation of the solution but decreases with time. These results are explained by the formation of a gel layer on the membrane surface during the filtration of macromolecular solutions. In ultrafiltration, in contrast to dialysis and GPC, a linear polymer penetrates the selective barrier more readily than does a globular protein of the same molecular weight. The difference may arise from the liquid shear stresses within the barrier medium due to the movement of fluid relative to the pore walls, which is large only in ultrafiltration. Also, retention of polymers was found to decrease with pressure and to increase with agitation of the solution.
    Additional Material: 13 Ill.
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  • 7
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 21 (1977), S. 2375-2392 
    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 techniques of Auger electron spectroscopy (AES) and x-ray photoelectron spectroscopy (XPS) have been used to study the locus of failure of epoxy resin joints. The effects of a long water immersion and the application of a silane-based primer have also been studied. Results indicated that for dry joints fracture occurred near an epoxy resin/metal interface while with water-soaked unprimed joints, fracture occurred interfacially between the adhesive and iron oxide. The application of the primer to the metal surface prior to bonding prevented the formation of a water-formed oxide although fracture was then found to occur through the primer.
    Additional Material: 7 Ill.
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  • 8
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 24 (1979), S. 749-762 
    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: In processing full-fat soy flour to an acid-precipitated lipid protein concentrate a byproduct whey fraction results which, because of its high biological oxygen demand, represents a serious disposal problem. Processing of food waste streams by reverse osmosis has received considerable attention because of its low theoretical energy requirement since no phase change is involved. In a previous study at this Center a mathematical model was developed for the diffusive transport of soy lipid protein concentrate whey across cellulose acetate membranes. In this study, pumping energy and power costs combined with membrane life and replacement costs were incorporated into the original model to provide a basis for optimization from an energy cost standpoint. Computer-simulated runs were compared with experimental pilot-plant runs, and the agreement between predicted and actual results was quite good. Water flux rates were in the range of 3 to 7 gal/ft2/day. Computer runs were used to optimize the processing of 100,000 gal/day of soy whey at 8000 ppm biological oxygen demand (BOD). Costs were at a minimum with a six-stage tapered flow primary reverse osmosis treatment over a porous cellulose acetate membrane, followed by a six-stage tapered flow reverse osmosis over a tighter membrane. BOD reduction was 94% at a cost of $5.45/1000 gal.
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  • 9
    Electronic Resource
    Electronic Resource
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 33 (1995), S. 633-642 
    ISSN: 0887-624X
    Keywords: free radicals ; grafting ; kinetics ; methacrylate ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The kinetics of grafting a basic monomer, 2-(dimethylamino)-ethyl methacrylate (DMAEMA) to hydrocarbon substrates have been investigated. These systems were chosen as models for the grafting of a homopolymerizable monomer to polyolefins such as polyethylene. The reactions with squalane and n-eicosane were initiated by an organic peroxide, 2,5-dimethyl 2,5 dit-butylperoxy)-3-hexyne; grafting yields become significant at high reaction temperatures and low monomer concentrations. In squalane, the order of reaction with respect to monomer increased from about 1.1 for 0.22-0.44M DMAEMA to almost 2 at 0.69M DMAEMA; the order with respect to initiator was 0.56. The overall activation energy in the 130-160°C temperature range was, however, surprisingly low, 42±5 kJ mol-1. When analytical data were used to separate the overall rate into those for grafting and homopolymerization, different kinetic paths were observed for the competing reactions. These results are interpreted in terms of two different mechanisms; intramolecular chain transfer plays an important role in grafting, while depropagation becomes a major factor in homopolymerization at temperatures above 150°C. © 1995 John Wiley & Sons, Inc.
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  • 10
    Electronic Resource
    Electronic Resource
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 35 (1997), S. 3517-3525 
    ISSN: 0887-624X
    Keywords: peroxide ; vinylsilane ; grafting ; polymers ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The peroxide-initiated grafting of vinyltrimethoxysilane (VTMS) onto dodecane has been examined as a model for grafting onto polyethylene. At 160°C, 2% v/v VTMS and 0.08% v/v initiator, the monomer was grafted onto dodecane with a 59% conversion and an average of 2.37 VTMS grafts per dodecane. These values were obtained by separation of the grafted material through reduced pressure distillation then characterization with FTIR and NMR spectroscopy, mass spectrometry, and gel permeation chromatography. NMR studies strongly indicate that the multiple grafts consist predominantly of multiple single grafts rather than homopolymer grafts. © 1997 John Wiley & Sons, Inc. J Polym Sci A: Polym Chem 35: 3517-3525, 1997
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