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  • Chemistry  (4)
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  • 1
    Electronic Resource
    Electronic Resource
    The flammability of polyacrylonitrile and its copolymers III. Effect of flame retardants (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Fire and Materials 18 (1994), S. 231-241 
    Details
    ISSN: 0308-0501
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: This paper extends previously reported work 1,2 and describes the influence that a range of selected flame retardants have on the burning behaviour and pyrolyses of homo-and copolymers of acrylonitrile. Various inorganic and organic phosphorus and nitrogen- or sulphur-containing, halogen-containing (in the absence and presence of halogen or antimony (III) oxide) and nitrogen-containing flame retardants and red phosphorus were studied using LOI, TGA, DSC and residual char measuring techniques. Flame retardancy relates directly to char-forming tendency for all retardants and their ability to reduce the dominance of flammable volatiles formed during the first stage of acrylic polymer pyrolysis. Ammonium phosphates are particularly effective flame retardants for the selected copolymers. Possible mechanisms of retardant activity are discussed, including the char-forming tendency of antimony-bromine combiniations.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/fam.810180406
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  • 2
    Electronic Resource
    Electronic Resource
    Basis sets for transition metals: Optimized outer p functions (1996)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Computational Chemistry 17 (1996), S. 1359-1370 
    Details
    ISSN: 0192-8651
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Computer Science
    Notes: Although the (n + 1)p orbital is unoccupied in transition-metal ground-state configurations which are all ndx(n + 1)sy, these (n + 1)p functions play a crucial role in the structure of transition metal complexes. As we show here, the usual solution, adding one or more diffuse functions, can be insufficient to create an orbital of the correct energy. The major problem appears to be due to the incorrect placement of the (n + 1)p orbital's node. Even splitting the most diffuse component of the np orbital and adding a second diffuse function does not completely solve this problem. Although one can usually solve this deficiency by further uncontracting of the np function, here we offer a set of properly optimized (n + 1)p functions that offer a more compact and satisfactory solution to the proper placements of the node. We show an example of the common deficiencies seen in typical basis sets, including standard basis sets in GAUSSIAN94, and show that the new optimized (n + 1)p function performs well compared to a fully uncontracted basis set. © 1996 by John Wiley & Sons, Inc.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Environmental consequences of using flame-retardant textiles - a simple life cycle analytical model (1997)
    New York, NY [u.a.] : Wiley-Blackwell
    Fire and Materials 21 (1997), S. 229-234 
    Details
    ISSN: 0308-0501
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Architecture, Civil Engineering, Surveying , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: This paper extends earlier work which explored the possibility of undertaking a life cycle analysis of flame-retardant cotton and polyester textiles and consequently enabled semi-quantitative estimations of their relative environmental impacts to be made. This model is extended to undertake full environmental audits of a range of flame-retardant textiles and requires full consideration of each stage from fibre/raw material production to eventual disposal. The need for comprehensive data at all stages, however, demonstrates that comparisons between competing products are neither simple nor, at present, possible. Thus an environmental rank value is given to each stage in the manufacturing process and product life of each flame retardant fibre and derived textile. Summation of rank values enables an overall environmental index to be defined which may be used to compare the environmental impact of each generic type of currently available flame retardant, single fibre-containing textile. The results show that each of the eleven generic fibres analysed yield environmental index values within a range 32-51% where 100% denotes the worst environmental position possible. This relatively low range of values suggests that current production and processes which attempt to maximize economic viability also tend to reduce environmental impact. © 1997 John Wiley & Sons Ltd.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Flammability of polyacrylonitrile and its copolymers II. Thermal behaviour and mechanism of degradation (1994)
    New York, NY [u.a.] : Wiley-Blackwell
    Polymer International 33 (1994), S. 303-314 
    Details
    ISSN: 0959-8103
    Keywords: polyacrylonitrile ; flammability ; pyrolysis ; degradation ; thermal analysis ; mechanism ; copolymer ; 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: Homopolymeric polyacrylonitrile and fibre-forming copolymers containing either vinyl acetate or methyl acrylate comonomer have been studied by thermal analysis (DSC, TGA and DTG) at various heating rates (10-100 K min-1) and under air and nitrogen. Three well-defined pyrolysis stages have been observed which occur over the temperature ranges 250-350°C, 350-550°C and above 550°C. Each stage involves a competition between volatilisation and cyclisation or char-forming reactions which depends on heating rate and the presence or absence of oxygen.The well-established dominance of cyclisation in the 250-350°C temperature range obtained during carbon fibre production from acrylic precursors occurs only at low heating rates. At high heating rates, volatilisation dominates and this explains why acrylic polymers have high flammabilities when heating rapidly.The full pyrolysis mechanism has been semi-quantitatively analysed and the role that comonomers play discussed. This has enabled a fuller understanding of the potential burning behaviour of these polymers to be developed.
    Additional Material: 14 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pi.1994.210330310
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