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  • Wiley-Blackwell
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  • 1
    Electronic Resource
    Electronic Resource
    Chichester [u.a.] : Wiley-Blackwell
    Surface and Interface Analysis 21 (1994), S. 387-394 
    ISSN: 0142-2421
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: The desorption of emulsifiers from the particle surface of polystyrene latexes prepared by emulsion polymerization has been studied by Time-of-Flight Secondary Ion Mass Spectrometry (ToF SIMS). Two polystyrene latexes prepared with respectively sodium dodecyl sulphate and sodium dodecylbenzene sulphonate as emulsifiers were compared. It has been shown that the quasi-molecular, parent ions and the characteristic fragments of the emulsifiers can easily be observed in positive and negative ToF SIMS. But these ions are more sensitive in the negative mode. The results have shown that after extensive purification with mixed-bed ion-exchange resins, the emulsifier was totally absent on the latex prepared with sodium dodecyl sulphate and that only traces of the emulsifier exist on the latex prepared with sodium dodecylbenzene sulphonate. These results suggest that strong acid emulsifiers can be desorbed by mixed-bed ion-exchange resins.
    Additional Material: 2 Ill.
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  • 2
    ISSN: 0142-2421
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Physics
    Notes: The first principles model (FPM) has been compared with other quantitative approaches by using many standard samples. As a first step, the applicability of the theoretical dependence of IC 1s/ICKVV on the reduced thickness (x) of a hydrocarbon surface contamination layer was checked and shown to be approximately correct only in the middle range of x. A semi-empirical relation between IC 1s/ICKVV and x has been developed. The advantage of this relation over that previously developed in the literature is that the transmission function of our spectrometer is well characterized. The reduced thickness calculated using this semi-empirical relation has been shown to be close to the real value. The comparison of atomic ratios calculated using these quantitative approaches has shown that the best approach is the FPM. For the samples investigated in this work, the introduction of the anisotropy parameter L is not necessary: in most cases, the influence of L is smaller than the observed errors; and in certain cases where the difference of L values is large, more consistent results are obtained when L is ignored. The FPM approach provides consistent results not only when an inter-comparison is made between different spectrometers but also when, within a given machine, the analysis conditions are varied. The accuracy of this approach is relatively good (with errors 〈15%) and holds true even when comparing peaks separated by more than 1000 eV. Finally, the comparison of results obtained with different previously determined transmission functions has allowed us to test the applicability of the methods used for the determination of these transmission functions (see Part I).
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 9 (1963), S. 681-688 
    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: 8 Ill.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 385-394 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Two methods are presented for calculating the interfacial tension between two immiscible Newtonian fluids. The procedures require only two measurements of the approximate interface shape during the low-Reynold-number interfacial-tension-driven transient motion of (i) the relaxation of a modestly elongated drop back to a spherical shape or (ii) the growth of capillary wave instabilities along the surface of a thread. The interfacial tension can be estimated by comparing the time differences between the two experimental measurements with tabulated and numerically generated results for the approximate shape evolution. The numerical results are generated using boundary integral method for similar model free-boundary problems at low Reynolds numbers. The tabulated results are presented for drop to suspending fluid viscosity ratios 0.01 to 10.
    Additional Material: 9 Ill.
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  • 5
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 716-725 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Two methods for generating smoothing splines are compared and applied to data from a fed-batch fermentation process. One method chose both the degree of the spline and its parameters by minimizing the generalized cross validation (GCV) function using a genetic algorithm (GA). The other method adjusted the smoothing spline to a specified chi-square goodness-of-fit, requiring prior knowledge of the measurement variability. The GCV/GA method led to excellent results with all the fermentation data records. The goodness-of-fit method gave a family of spline fits; splines with a low percentage fit extracted trends from the data, while for general use a 50% fit appeared satisfactory. The goodness-of-fit method executed more quickly than the GCV/GA method, but the GCV/GA method was more generally applicable as it chose both the degree of the spline and the amount of smoothing automatically.
    Additional Material: 8 Ill.
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  • 6
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 956-956 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 14 (1968), S. 507-508 
    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: 2 Ill.
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  • 8
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 1-20 
    ISSN: 0886-9383
    Keywords: Discriminant analysis ; Least squares ; Prediction ; Regression ; Relationship ; Structure ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Twenty-two contrasting statistical methods are reviewed for their applicability to QSAR studies and similar prediction-oriented fields. Each method is concisely specified prior to explanatory or critical comment.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 455-475 
    ISSN: 0886-9383
    Keywords: Biological activity ; Cross-validation ; Exchangeability ; Molecular descriptors ; Prediction ; Relationship ; Structure ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The two parts of this paper form a critique of a variety of statistical techniques of actual or potential use in quantitative structure-activity relationship (QSAR) studies and related fields. Part I explores the statistical thinking that is needed to underpin those techniques. Emphasis as placed on (a) the role of ‘exchangeability’ as an alternative to unrealistic statistical modelling and (b) the use of cross-validation to limit self-deception in the use of any particular technique. The problem of the almost unlimited range of molecular descriptors is seriously addressed. (Part II provides a concise critical review of methods-some well-established and some new.)
    Additional Material: 4 Ill.
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  • 10
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 223-225 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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