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  • 1990-1994  (1.723)
  • 1890-1899
  • 1991  (1.723)
  • Analytical Chemistry and Spectroscopy  (1.511)
  • Industrial Chemistry and Chemical Engineering  (212)
Materialart
Erscheinungszeitraum
  • 1990-1994  (1.723)
  • 1890-1899
Jahr
  • 1
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 545-545 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 2
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 129-145 
    ISSN: 0886-9383
    Schlagwort(e): Multivariate calibration ; Biased regression ; Partial least squares (PLS) ; Principal component regression (PCR) ; Model validation ; Non-linear calibration ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: With the goal of understanding global chemical processes, environmental chemists have some of the most complex sample analysis problems. Multivariate calibration is a tool that can be applied successfully in many situations where traditional univariate analyses cannot. The purpose of this paper is to review multivariate calibration, with an emphasis being placed on the developments in recent years. The inverse and classical models are discussed briefly, with the main emphasis on the biased calibration methods. Principal component regression (PCR) and partial least squares (PLS) are discussed, along with methods for quantitative and qualitative validation of the calibration models. Non-linear PCR, non-linear PLS and locally weighted regression are presented as calibration methods for non-linear data. Finally, calibration techniques using a matrix of data per sample (second-order calibration) are discussed briefly.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
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  • 3
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 147-161 
    ISSN: 0886-9383
    Schlagwort(e): Digital filtering ; Real-time analysis ; Kalman filtering ; Infrared spectroscopy ; Principal components regression ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Real-time monitoring of pollutant levels from a mobile measuring platform requires fast, flexible data analysis methods. This paper reports a method for rapid analysis of passive remotely sensed infrared data with the aid of a Kalman filter. The background spectra produced by emission from the atmosphere are modelled at the start of the data collection sequence with a simple principal components model obtained by eigenanalysis of the initial ‘blank’ data taken with the spectrometer. The species of interest are included in the state space model by a separate measurement of their infrared spectra. It is demonstrated that for best filter performance in detecting the simulated pollutant species SF6 in the atmosphere, a filter model with two principal components describing the emission background works best. The filter ‘maps’ of SF6 closely follow the integrated spectral intensities measured after removal of suitable backgrounds.
    Zusätzliches Material: 9 Ill.
    Materialart: Digitale Medien
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  • 4
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 163-179 
    ISSN: 0886-9383
    Schlagwort(e): Principal component analysis ; Factor analysis ; Chemometrics ; Exploratory data analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Principal component analysis is used to examine large multivariate databases. The graphical approach to exploratory data analysis is described and illustrated with a single example of chemical composition data obtained on environmental dust particles. While the graphical approach to exploratory data analysis has certain advantages over the numerical procedures, the empirical approach described here should be viewed as complementary to the more robust treatments that statistical methodologies afford.
    Zusätzliches Material: 8 Ill.
    Materialart: Digitale Medien
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  • 5
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 181-192 
    ISSN: 0886-9383
    Schlagwort(e): Chemometrics ; Systems theory ; Experimental design ; Multivariate analysis ; Measurement science ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Chemometrics is defined as the application of mathematical and statistical methods to chemical systems. Systems theory is seen to be useful for organizing and categorizing the inputs to and outputs from chemical systems. Advances in measurement science in the 1950s and 1960s, particularly in analytical chemistry, created a need for a multivariate approach to data analysis. Early chemometrics emphasized the use of structure-finding methods for existing data sets. In many instances, data sets can be obtained from designed experiments. Such data sets are more likely to contain the desired information and the data can usually be acquired at less cost. Renewed interest in statistical process control will provide many new, more robust data sets in the future.
    Zusätzliches Material: 10 Ill.
    Materialart: Digitale Medien
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  • 6
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 193-199 
    ISSN: 0886-9383
    Schlagwort(e): Kalman filter ; Chemometrics ; 5-Br-PADAP ; Metallic ions ; Simultaneous spectrophotometric determination ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: This paper describes the simultaneous determination of cobalt, nickel, copper, zinc and cadmium by spectrophotometry and the Kalman filter method. Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) react with 5-bromo-2-(2-pyridylazo)-5-diethylaminophenol (5-Br-PADAP) in the presence of cationic surfactant cetyl pyridinium bromide (CPB) to form five different coloured ternary complexes. The absorption curves of these complexes overlap severely in the scanning range 500-620 nm. The Kalman filter algorithm is successfully applied to resolve the overlapped absorption curves and therefore makes the simultaneous determination of these metallic ions possible without tedious pretreatment. The proposed method is applied to analyse the titled elements in synthetic samples and in environmental samples such as hair, fingernail and river water samples with satisfactory results.
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
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  • 7
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 201-209 
    ISSN: 0886-9383
    Schlagwort(e): Uncertainty ; Step function ; Additive model ; Transformation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: An additive model is used to express the observed value of a sample characteristic as the sum of the true sample characteristic and a value of the data collection error, commonly known as experimental error. The data uncertainty of the experimental results (or of a survey data set) is defined as the expected squared error. The expected squarred error may change with the sample characteristic, e.g. the error moment could be concentration-dependent. The relationship between the error variance and the analyte concentration may not be very distinct. In such a case the data transformation to stabilize the error moments may not be appropriate. A step function is proposed as an alternative way to represent the second moment of the error. The data uncertainty is defined as the weighted average of the step values of the second raw moment of the error, using the appropriate proportions of the routine samples as weights. The data uncertainties associated with the different data collection stages were evaluated by using regional soil survey data.
    Zusätzliches Material: 3 Tab.
    Materialart: Digitale Medien
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  • 8
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 211-225 
    ISSN: 0886-9383
    Schlagwort(e): Shot noise ; Expectation-maximization ; Regression ; Deconvolution ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A simple algorithm for deconvolution and regression of shot-noise-limited data is illustrated in this paper. The algorithm is easily adapted to almost any model and converges to the global optimum. Multiple-component spectrum regression, spectrum deconvolution and smoothing examples are used to illustrate the algorithm. The algorithm and a method for determining uncertainties in the parameters based on the Fisher information matrix are given and illustrated with three examples. An experimental example of spectrograph grating order compensation of a diode array solar spectroradiometer is given to illustrate the use of this technique in environmental analysis. The major advantages of the EM algorithm are found to be its stability, simplicity, conservation of data magnitude and guaranteed convergence.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
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  • 9
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 291-298 
    ISSN: 0886-9383
    Schlagwort(e): Absorbance ratio ; Statistical confidence ; Quality control ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Ratio measurements are commonly used to address a variety of analytical problems in environmental, forensic and pharmaceutical laboratories. In absorbance ratioing techniques, analytical chemists rely on the spectral features of the analyte(s) of interest. The absorbances at two wavelengths are monitored and the ratio of these two absorbances is computed. This ratio is then used to confirm the identity of the analyte(s) of interest, the purity of a product of the overlap of chromatographic peaks. These decisions often have far-reaching consequences (e.g. the identification of the source, biogenic or petrogenic, of hydrocarbons in biological tissues or water). Given the cost and the liabilities associated with such decisions, it is unfortunate that these ratios are seldom reported with any statistical confidence. The purpose of this study is to delineate the parameters that affect absorbance ratio measurements. The models that can be used to estimate the statistical confidence in these measurements are derived and evaluated experimentally. The results show that these models can estimate the relative standard deviations in absorbance ratios accurately. They can also estimate the effect of signal-to-noise ratio and the choice of wavelengths on the precision of absorbance ratios.
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
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  • 10
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 299-308 
    ISSN: 0886-9383
    Schlagwort(e): Errors in variables ; Orthogonal regression ; Latent variables ; Acid rain ; Acidic deposition ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Techniques for testing for and estimating relative bias between two laboratories are developed and applied to a survey of the chemistry of streams in the United States. The design of the quality assurance program allows estimation of linear corrections for bias as well as testing of the hypothesis of linearity. Designs of this type are useful, but improvements are suggested.
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
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  • 11
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 309-319 
    ISSN: 0886-9383
    Schlagwort(e): Confidence intervals ; Products of normal random variables ; Risk/exposure modeling ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: In many environmental applications, such as exposure assessment and risk modelling, the desired estimate is a random variable computed as the product of three independently distributed random variables. These variables may not necessarily have the same mean and variance. The method for finding the 100(1 - α)% confidence interval for the mean of the product random variable has been proposed by some practitioners as the product of the 100(1 - α)% confidence interval of the three means. In this paper we show that the distribution of the product of three independent normal variables is not normal. We find the mean and variance of the product distribution. Further, we show that although the mean of the product is equal to the product of the means, the product of the three confidence intervals is not a good approximation of the confidence intervals for the mean of the product variable. The confidence interval of the mean of the product variable may be estimated by computer simulation. An algorithm for estimating the confidence interval for the mean of the product random variable is given. The program implementing this algorithm is given as an appendix.
    Materialart: Digitale Medien
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  • 12
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 321-331 
    ISSN: 0886-9383
    Schlagwort(e): Screening ; Ground-water quality ; Monitoring ; Volatile organic compounds (VOCs) ; Optimization ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: It is shown that the presence of 31-35 commonly measured volatile organic compounds (VOCs) in ground water can be detected with small error rates by using screening methods which analyze for a subset of such VOCs. A study of selected data sets indicates that analytical determinations of only from two to eight VOCs will suffice to detect 95% of all VOC hits. It is also shown that a serially optimal algorithm for selecting the VOCs for screening is very nearly as accurate as a globally optimal algorithm and much easier to implement. These conclusions are supported by empirical evidence from two drinking-water data sets and one hazardous waste site data set. Additional research areas are also outlined.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
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  • 13
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991) 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 14
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. i 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 15
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 333-343 
    ISSN: 0886-9383
    Schlagwort(e): Rank estimation ; Bootstrap resampling ; Canonical correlation ; Excitation-emission matrix ; Singular value decomposition ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Rank estimation by canonical correlation analysis in multivariate statistics has been proposed as an alternative approach for estimating the number of components in a multicomponent mixture. A methodological turning point of this new approach is that it focuses on the difference in structure rather than in magnitude in characterizing the difference between the signal and the noise. This structural difference is quantified through the analysis of canonical correlation, which is a well-established data reduction technique in multivariate statistics. Unfortunately, there is a price to be paid for having this structural difference: at least two replicate data matrices are needed to carry out the analysis.In this paper we continue to explore the potential and to extend the scope of the canonical correlation technique. In particular, we propose a bootstrap resampling method which makes it possible to perform the canonical correlation analysis on a single data matrix. Since a robust estimator is introduced to make inference about the rank, the procedure may be applied to a wide range of data without any restriction on the noise distribution. Results from real as well as simulated mixture samples indicate that when used in conjunction with this resampling method, canonical correlation analysis of a single data matrix is equally efficient as of replicate data matrices.
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
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  • 16
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 345-360 
    ISSN: 0886-9383
    Schlagwort(e): Three-way PCA ; Three-way PLS ; PARAFAC ; Trilinear ; Unfolding ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: For the calibration of chromatographic systems, different methods can be used. One class of methods utilizes three-way approaches. The calibration problem is stated in such a way that the decomposition of a three-way array can serve for the prediction of retention on new stationary phases.Two three-way approaches are presented: the Unfold-PCA and PARAFAC models. The theory of both methods is presented and the differences are highlighted, the main difference being that PARAFAC is a trilinear decomposition whereas Unfold-PCA is not. Both three-way methods are evaluated on a small data set consisting of retention measurements of eight solutes at six mobile phase compositions on six stationary phases. The differences in performance of the two models are minor.For calibration purposes, two variants of the methods are discussed: three-way PLS and an extension of PARAFAC. Again the theory and differences between the two methods are explained. The predictive performance of the two methods is compared using the same data set as earlier. The differences in predictive performance, however, are minor. Both methods are capable of predicting 98% of the variation in the test sets. Yet, there are other considerations when comparing methods than predictive performance, e.g. the quality of the predictions.
    Zusätzliches Material: 12 Ill.
    Materialart: Digitale Medien
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  • 17
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 361-374 
    ISSN: 0886-9383
    Schlagwort(e): Closure ; Normalization ; Multivariate trimming ; Minimum distance ; Bootstrap ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Compositional data arise naturally in several branches of science, including chemistry, geology, biology, medicine, ecology and manufacturing design. In chemistry, these constrained data seem to occur typically when raw data are normalized or when output is obtained from a constrained estimation procedure, such as might be used in a source apportionment problem. It is important not only for chemists to be aware that the usual multivariate statistical techniques are not applicable to constrained data, but also to have access to appropriate techniques as they become available. The currently available methodology is due principally to Aitchison and is based on log-normal models. This paper suggests new parametric and non-parametric approaches to significantly improve the existing methodology. In the parametric setting, some recent work of Rayens and Srinivasan is extended and a practical regression model is proposed. In the development of the non-parametric approach, minimum distance methods coupled with multivariate bootstrap techniques are used to obtain point and region estimators.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
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  • 18
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 375-387 
    ISSN: 0886-9383
    Schlagwort(e): Determinant criterion ; Multiresponse non-linear fitting ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: This work evaluates objective functions for multiresponse non-linear modeling using computer simulations. Tests are performed under a variety of signal-to-noise ratios and noise variance-covariance structures. The standard error of prediction for the model parameters, computed from 50 trials, is used for performance comparisons. The full rank and rank-deficient problems are considered. For the full rank problem one model was investigated, a first-order two-step consecutive reaction model, and two objective functions were considered, the total sum of squares and the determinant criterion. No distinction could be made between the two objective functions for this model.For the rank-deficient case two models were investigated, a first-order two-step consecutive reaction as in the full rank case, and a pH titration model described by the Henderson-Hasselbalch equation. Three objective functions were investigated for the rank-deficient case, the total sum of squares, a weighted total sum of squares and the determinant criterion. The total sum of squares was found to perform poorly under all conditions tested compared to the weighted total sum of squares and the determinant criterion. The determinant criterion was found to perform much better than the other two criteria when the data have a combination of a low signal-to-noise ratio and high variance-covariance noise structure.
    Zusätzliches Material: 7 Tab.
    Materialart: Digitale Medien
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  • 19
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 405-409 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
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  • 20
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 389-403 
    ISSN: 0886-9383
    Schlagwort(e): Acoustic emission ; Pattern recognition ; Feature selection ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Features used to characterize acoustic emission signals from chemical systems are evaluated with regard to their potential for pattern recognition. Eight chemical systems involving phase transitions, hydration, dissolution and effervescence are employed and treated as separate signal classes. These are compared pairwise and the discriminatory capabilities of about 50 features are investigated by computing Fisher weights. Time domain and frequency domain descriptors are examined. Correlations among the features evaluated are also reported. Recommended descriptors are the mean and median frequencies, frequency bandwidth, number of level crossings (0% and 25%), crest factor (time and frequency domains), half-life, kurtosis and normalized percentiles of the signal and its power spectrum. The effectiveness of the recommended descriptors is demonstrated through the separation of signal classes in two different systems (melting ice and an enzyme-catalyzed gas formation reaction) by principal components analysis.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
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  • 21
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 22
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 23
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 416-416 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 24
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991) 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 25
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. i 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 26
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 417-434 
    ISSN: 0886-9383
    Schlagwort(e): Factor analysis ; Power density distribution ; Chromatography ; Absorption spectroscopy ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Evaluation of the results of factor analysis of sets of spectroscopically detected chromatograms is carried out by examining the shapes of the abstract factors. This is done either by visual inspection or by analysis of the power density spectra produced from them. Owing to constraints imposed by the column function and the spectroscopic instrument function, the information content of the chromatograms necessarily occurs at low spatial frequencies. As a consequence, it appears as relatively broad features in the abstract chromatograms and as a peak in the low-frequency region of the corresponding power density plot. On the basis of examination of the power density distribution, a well-defined distinction is made between primary and secondary abstract factors. The major uncertainty encountered in determining the number of chemical components appears to arise from effects of contaminants in reagents.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
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  • 27
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 435-453 
    ISSN: 0886-9383
    Schlagwort(e): Class-modelling methods ; Potential functions ; Pattern recognition ; Discriminant analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A probabilistic and distribution-free class-modelling technique is developed from potential function discriminant analysis. In the multidimensional space of variables the class boundary is built either by the sample percentile of the probability density estimated by means of potential functions, or by the estimate of the ‘equivalent’ determinant of the variance-covariance matrix. The equivalent determinant is that of a hypothetical multivariate normal distribution whose mean probability density was obtained by potential functions. The bases of this modelling rule are evaluated by means of Monte Carlo experiments. The results on four datasets are used to measure the performances of this method, which equal and sometimes exceed the performances of parametric class-modelling methods based on linear and quadratic discriminant analysis which were used for comparison.
    Zusätzliches Material: 15 Ill.
    Materialart: Digitale Medien
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  • 28
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 455-465 
    ISSN: 0886-9383
    Schlagwort(e): Correspondence analysis ; Cluster analysis ; Optimization ; Eigenanalysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Carey et al. utilized principal components analysis (PCA) to analyze frequency shift data obtained from piezoelectric sensors formed by coating quartz crystals with 27 different GC stationary phases and tested using 14 analytes. The objective of the analysis was to determine an optimal reduced set of coatings for detection of the analytes. The results were correlated with those obtained from cluster analysis. In this paper the data are re-analyzed using correspondence analysis (CA). The advantage of using CA include a symmetric treatment of sensor coatings and analytes and better identification of the representation of the analytes in terms of the detection components. The results obtained by the conjunctive use of PCA, a varimax rotation and cluster analysis were obtained by CA.
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
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  • 29
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 467-486 
    ISSN: 0886-9383
    Schlagwort(e): Expert system ; Neural network ; Fuzzy entropy ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A fuzzy multivariate rule-building expert system (FuRES) has been devised which also functions as a minimal neural network. This system builds rules from training sets of data that use feature transformation in their antecedents. The rules are constructed using the ID3 algorithm with a fuzzy expression of classification entropy. The rules are optimal with respect to fuzziness and can accommodate overlapped and underlapped clusters of data. The FuRES algorithm combines the benefits obtained from simulated annealing and gradient optimization, which provide robustness and efficiency respectively. FuRES classification trees support OR logic in their inference. The system automatically generates meaningful and consistent certainty factors during rule construction. Unlike other neural networks, FuRES uses local processing which furnishes qualitative information in the rule structure of its classification trees and variable loadings of the weight vectors.
    Zusätzliches Material: 18 Ill.
    Materialart: Digitale Medien
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  • 30
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991) 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 31
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. i 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 32
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 487-501 
    ISSN: 0886-9383
    Schlagwort(e): Calibration ; Locally linear models ; Discrimination ; Optimality ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A calibration situation is considered where the calibration data are split into subsets with good linear relationship between y and x within each group. Different strategies for good prediction in this case are proposed. Modifications for collinear data are considered and a simple simulated data set is used for illustration.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
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  • 33
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 503-521 
    ISSN: 0886-9383
    Schlagwort(e): Antagonism ; Bounded ordinal scale ; Herbicide interaction ; Inter block comparisons ; Non-parametric ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Studies of interactions among bioactive compounds are often difficult to interpret unambiguously. A priori assumptions about the nature of such interactions can seriously distort analysis of the data. By applying a rank order analysis appropriate to the naturally ordinal scale of response to xenobiotic insult, several co-herbicides were successfully identified from among numerous candidates in an experiment involving multiple blocks, rates and species. Moreover, underlying herbicide interactions were substantiated and identified which were not apparent by more traditional parametric analysis.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
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  • 34
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. i 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 35
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 1-20 
    ISSN: 0886-9383
    Schlagwort(e): Averaging ; Median ; Outliers ; Regression ; Residuals ; Robustness ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: In this tutorial we first illustrate the effect of outliers on classical statistics such as the sample average. This motivates the use of robust techniques. For univariate data the sample median is a robust estimator of location, and the dispersion can also be estimated robustly. The resulting ‘z-scores’ are well suited to detect outliers. The sample median can be generalized to very large data sets, which is useful for robust ‘averaging’ of curves or images. For multivariate data a robust regression procedure is described. Its standardized residuals allow us to identify the outliers. Finally, a survey of related approaches is given. (This review overlaps with earlier work by the same author, which appeared elsewhere.)
    Zusätzliches Material: 8 Ill.
    Materialart: Digitale Medien
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  • 36
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 21-35 
    ISSN: 0886-9383
    Schlagwort(e): Wronskian determinant ; Multicomponent systems ; Derivative spectroscopy ; Spline functions ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The use of Wronskian determinants in the study of multicomponent systems is proposed. The general theory is presented and applied to the spectrophotometric determination of the number of linearly independent components-absorbers. A detailed study of a two-component system is presented and analysed. Numerical methods for smoothing and differentiation of digitized spectra via cubic splines are used.
    Zusätzliches Material: 8 Ill.
    Materialart: Digitale Medien
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  • 37
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 49-65 
    ISSN: 0886-9383
    Schlagwort(e): Calibration ; Cluster analysis ; Local linearity ; Mahalanobis distance ; Residual distance ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The topic of the present paper is the splitting of calibration data into subgroups with improved linearity in each group. The method proposed is based on a criterion which is a weighted average of a Mahalanobis distance and a squared regression residual. The algorithm used to find the solution is based on fuzzy clustering. Two examples are given to illustrate the theory.
    Zusätzliches Material: 10 Ill.
    Materialart: Digitale Medien
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  • 38
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 37-48 
    ISSN: 0886-9383
    Schlagwort(e): Optimization ; Simulated annealing ; Calibration ; Experimental design ; Multicomponent analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Generalized simulated annealing (GSA) is an optimization procedure for locating the global optimum (maximum or minimum) of multidimenisonal continuous functions. GSA has been modified for optimization of discrete functions. Selection of calibration samples from an existing set defines discrete optimization and GSA is used to select optimal sets of calibration samples for specific analysis samples. The procedure is applied to near-infrared spectra. When compared to using the complete set of 37 calibration samples, concentration prediction errors were reduced 50%-100% by using select sets of two to seven calibration samples. Additionally, GSA was able to improve a poorly designed experiment. GSA devised augmented experimental designs such that the overall experimental design (original plus augmented) was more orthogonal than the original.
    Zusätzliches Material: 4 Ill.
    Materialart: Digitale Medien
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  • 39
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 68-69 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 40
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 67-67 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 41
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 71-71 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 42
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 85-95 
    ISSN: 0886-9383
    Schlagwort(e): Deconvolution ; Gold's ratio ; Iterative deconvolution ; Chromatographic deconvolution ; Peak restoration ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: This paper will consider the use of an iterative ratio technique called Gold's ratio method as an alternative to iterative constrained deconvolution methods for the restoration of overlapped and noisy chromatograpic peaks. The study will consist of first describing the technique and then evaluating its performance with respect to Jansson's deconvolution procedure. A Hewlett-Packard 5890A gas chromatograph will be used to generate most of the test data. The evaluation criteria will include convergence rates, peak area errors and variances, retention time variances and noise performance.
    Zusätzliches Material: 11 Ill.
    Materialart: Digitale Medien
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  • 43
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 523-536 
    ISSN: 0886-9383
    Schlagwort(e): Measurement errors ; Method comparison ; Mean square successive difference ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Comparison of methods is a technique often used for investigation of systematic errors of measurement methods. As concerns the design and analysis of such comparisons, much variety of opinion and practice exists. In one approach a few specimens are measured several times by different operators in different laboratories (reproducibility conditions) and in another approach several specimens are measured on one or a few occasions by one operator in the same laboratory (repeatability conditions). In this paper a model for the error structure of measurements is formulated and it is emphasized that one has to distinguish between two types of systematic errors: the first type depends only on the level of the measured quantity and the second type is specific for the separate specimens. On the basis of this model the information which can be obtained from the different designs of method comparisons is discussed. A new approach for the analysis of method comparisons with many specimens is also proposed.
    Zusätzliches Material: 6 Ill.
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  • 44
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 69-69 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 45
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 121-128 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 1 Tab.
    Materialart: Digitale Medien
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  • 46
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 537-543 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
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  • 47
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 48
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991) 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 49
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991) 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 50
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. i 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 51
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 73-84 
    ISSN: 0886-9383
    Schlagwort(e): Optimization ; Technological process ; COMPLEX algorithm ; ANTICOMPLEX algorithm ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: A new program, named ANTICOMPLEX, has been specially written for searching the optimum conditions of a technological process. The algorithm is based on an iterative procedure with, at each step, a random sampling for a better exploration of the hyperspace of the parameters. Since the process is considered as a ‘black box’, the program operates by successive reductions of the variation domains with a strategy derived from some function optimization (COMPLEX). This approach is very flexible and the experimenter can stop the investigation at any series of experiments according to the desired accuracy for the optimum region. This program has been successfully tested on several real processes. This paper gives a complete description of the approach together with two illustrations on simulated processes.
    Zusätzliches Material: 3 Ill.
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  • 52
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 113-116 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
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  • 53
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 117-119 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 54
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 97-111 
    ISSN: 0886-9383
    Schlagwort(e): Multivariate images ; Principal component regression ; Multivariate image regression ; Regression model ; Predicted image(s) ; Prediction quality scatter plot ; Visual diagnostic tools ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Regression between two blocks (usually called ‘dependent’ or Y and ‘independent’ or X) of data is a very important scientific and data-analytical tool. Regression on multivariate images is possible and constitutes a meaningful addition to existing univariate and multivariate techniques of image analysis. The regression can be used as a modeling tool or for prediction. The form of the regression equation chosen is dependent upon problem specification and information at hand. This paper describes the use of principal component regression (PCR). Both model building and prediction are presented for continuous Y-variables. The final goal is to supply new image material that can be used for visual inspection on a screen. Also, visual tools for diagnosis of model and prediction are provided, often based on derived image material. Examples of modeling and prediction are given for six channels in a seven-channel satellite image.
    Zusätzliches Material: 14 Ill.
    Materialart: Digitale Medien
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  • 55
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991) 
    ISSN: 0886-9383
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 56
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 227-239 
    ISSN: 0886-9383
    Schlagwort(e): Unit-sum constraint ; Mixing proportions ; Ratio data ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The statistical analysis of compositional data is of fundamental importance to practitioners in general and to chemists in particular. The existing methodology is principally due to Aitchison, who effectively uses two transformations, a ratio followed by the logarithmic, to create a useful, coherent theory that in principle allows the plethora of normal-based multivariate techniques to be used on the transformed data. This paper suggests that the well-known class of Box-Cox transformations can be employed in place of the logarithmic to significantly improve the existing methodology. This is supported in part by showing that one of the most basic problems that Aitchison managed to overcome, namely the specification of an interpretable covariance structure for compositional data, can be resolved, or nearly resolved, once the ratio transformation has been applied. Hence the resolution is not directly dependent on the logarithmic transformation. It is then verified that access to the general Box-Cox family will allow a more accurate use of the normal-based multivariate techniques, simply because better fits to normality can be achieved. Finally, maximum likelihood estimation and some associated asymptotics are employed to construct confidence intervals for ratios of the true, unknown compositional constituents. Heretofore this had not been done even in the context of the logarithmic transformation. Applications to real data are presented.
    Zusätzliches Material: 3 Ill.
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  • 57
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 241-248 
    ISSN: 0886-9383
    Schlagwort(e): Multivariate kurtosis ; Generalized distance ; Multivariate outliers ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Multivariate outliers in environmental data sets are often caused by atypical measurement error in a single variable. From a quality assurance perspective it is important to identify these variables efficiently so that corrective actions may be performed. We demonstrate a procedure for using two multivariate tests to identify which variable ‘caused’ each outlier. The procedure is tested with simulated data sets have have the same correlation structure as selected water chemistry variables from a survey of lakes in the Western United States. The success rates are evaluated for three of the variables for sample sizes of 50 and 100, significance levels of 0.01 and 0.05 and various amounts of mean shift. The procedure works best for highly correlated variables.
    Zusätzliches Material: 2 Ill.
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  • 58
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 249-261 
    ISSN: 0886-9383
    Schlagwort(e): Asymptotic power ; Clean-up standard ; Gamma distribution ; Likelihood ratio test ; Uniformly most powerful unbiased test ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The object of this paper is to develop a suitable statistical procedure to evaluate clean-up standards at hazardous waste sites. Under the assumptions that contaminant masses at a site follow a gamma distribution and that the data from the pre-remediation baseline sample as well as from the interim or final sample taken after a certain period of operation are both distributed as gamma with the same shape parameter but different scale parameters, we derive a uniformly most powerful unbiased test of the hypothesis that a specified percentage of contaminant mass has been reduced. A large-sample approximation of the exact test procedure and a comparison with the likelihood ratio test are provided.
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
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  • 59
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 263-271 
    ISSN: 0886-9383
    Schlagwort(e): Mean ; Variance ; Lognormal ; Optimal estimators ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Theoretical and simulation results are employed to evaluate mean and variance estimates for normal data when a lognormal distribution is assumed and for lognormal data when a normal distribution is assumed. Misspecifying the distribution leads to the use of suboptimal estimation methods. However, the results show that the suboptimal methods still produce estimators of good quality (low bias and variance) relative to the minimum variance unbiased estimators for each distribution, at least when practical efficiency is considered.
    Zusätzliches Material: 2 Tab.
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  • 60
    Digitale Medien
    Digitale Medien
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 273-290 
    ISSN: 0886-9383
    Schlagwort(e): Correspondence analysis ; Eastern Lake Survey - Phase I data ; Acidic deposition ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: Correspondence analysis (CA) was applied to lakewater data in order to study the effects of acidic deposition on the geochemical composition of lakes in the Adirondacks. The lake chemistry data analyzed were taken from the Eastern Lake Survey - Phase I (ELS-I) conducted by the U.S. Environmental Protection Agency. CA was used to identify ‘outlying’ lake samples as well as ‘superflous’ and ‘unresolved’ analytes. Correlational relationship among analytes were also examined.
    Zusätzliches Material: 10 Ill.
    Materialart: Digitale Medien
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  • 61
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 14 (1991), S. 11-19 
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: Inclined plates are often installed as mechanical separation aids in gravity settlers for the separation of liquid-liquid systems. The authors investigated the process of coalescence of single drops on trickling films flowing off inclined plates. The method of investigation was developed by Blass and Rautenberg. It ensures that, under certain conditions, only hydrodynamic parameters influence the coalescence process to any significant extent. The coalescence time of the drops characterizes the process of coalescence. Short time between 1 and 3 seconds provide favourable conditions for coalescence whereas long times, often ten times as long or even longer are unfavourable. This contribution introduces a criterion for clear demarcation between these two ranges and also a determination of separation parameters for favourable conditions for coalescence. Furthermore, the function of the plates is described, which is determined by hydrodynamic and wetting processes. The characteristic operating regions of a plate are shown in a working diagram.
    Zusätzliches Material: 13 Ill.
    Materialart: Digitale Medien
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  • 62
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: When declaring and using process engineering data such as, for exmple, mixing times or kLa values, it is assumed that these apply to the entire reactor contents. The condition of uniform mixing, necessary for this, is generally met in the regime of turbulent flow. When highly viscous and, above all, strongly non-Newtonian liquids are stirred in small reactors, there are frequently also regions of laminar flow and completely stagnant zones, which are only partially mixed or not at all. The present paper pursues the question to what extent is the gas-liquid mass transfer in stirred, highly non-Newtonian liquids influenced by the mixing behaviour of the reactor. The results show that, below certain Reynolds numbers, three relatively distinct regions exist, with different mixing intensities. Between an almost ideally mixed region in the vicinity of the stirrer and a completely stagnant and dead one, there is a zone of very slight motion. This finding demonstrates that the usual determination of integral or volume-based data in the literature is neither logical nor adequate for the case under consideration. Thus, the gas-liquid mass transfer takes place mainly in the relatively well mixed region. Therefore, use of a kLa value also requires the volume of this region to be declared. Only the knowledge of this volume enables us to correlate the kLa values in such a way that the sorption characteristics thus obtained appear suitable for scale-up. This procedure, which is illustrated by numerous examples of measured results for different stirrers, is important whenever design data for highly viscous liquids are to be worked out on the basis of laboratory measurements. Only when larger equipment is used, in which turbulent flow can be achieved, this problem does not arise because of the relatively uniform mixing of reactor contents.
    Zusätzliches Material: 20 Ill.
    Materialart: Digitale Medien
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  • 63
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: The variation in the behaviour of bulk solids as a result of sudden pressure changes in the surrounding gas phase is of interest in the application of lock hoppers for transfer of bulk solids into pressure vessels. By using such sluice systems, problems occur due to consolidation of the pressurized bulk solids. This paper presents the results of experimental and theoretical research, which allow to describe the influence of several parameters on pressure compensation and the degree of consolidation. With reference to the forces and mechanisms responsible for consolidation, it is possible to describe the different consolidation behaviour of incompressible (limestone) and compressible (hard coal) bulk solids.
    Zusätzliches Material: 12 Ill.
    Materialart: Digitale Medien
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  • 64
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 14 (1991), S. 65-72 
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: A study was made of the flow characteristics of large oscillating drops of pure liquid-liquid systems, using a thermostatically-controlled, rising drop column, 50 mm in diameter and 1000 mm in length. Mirrors in the jacket enabled front and side views of drops to be photographed simultaneously. Single drops in the size range 5-10 mm were investigated with both mutually-saturated phases and when the solute was being transferred from the dispersed phase. The systems studied were (1) toluene and acetone (dispersed)-water (continuous), and (2) n-heptane and acetone (dispersed)-water (continuous). Acetone concentrations were varied up to 3.75 kmol/m3. The oscillations of a travelling drop were asymmetrical; therefore, the amplitude cannot be expressed accurately in terms of only two axes. The area change of the drop compared to that of a sphere of equal volume ‘ε’, was shown to represent the amplitude accurately. The periods of droplet oscillation were uniform for the mutually saturated systems of constant physical and flow properties but changed when mass transfer was taking place. The interfacial tension exerted a marked effect on the amplitude, which also depended upon the oscillation frequency. The amplitude changed with droplet size in a similar manner to the terminal velocity, i.e. it increased with increasing size until it reached a maximum, subsequently decreasing less rapidly. The drag coefficient increased with increasing rate of mass transfer from the drop. Correlation of the results and the area eccentricity ‘ε’ by dimensional analysis embracing all possible parameters and physical properties affecting drop oscillation, resulted in the correlation ε = 0.22 Sr0.42 We-0.53 M0.13 with a mean deviation of ± 14%. This will facilitate more accurate prediction of the interfacial area for mass transfer calculations, relating to equipment containing droplets in the oscillating regime.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
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  • 65
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 14 (1991), S. 89-95 
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: The correct choice of packing is of decisive importance for optimum process efficiency in the operation of two-phase countercurrent columns. An important criterion for this choice is the pressure drop in the gas flow. Theoretical relationships are derived for calculating the pressure drop in beds with dry and trickle packings. It has been demonstrated by comprehensive experiments that these relationships allow the pressure drop to be determined more accurately than by previous methods. The experiments were performed at the Department of Thermal Separation Processes of Bochum University on 54 different packed beds, using 24 different systems.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
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  • 66
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: A multipurpose apparatus was designed, built and operated with the aim of a simultaneous determination of enthalpy of mixing, heat capacity, kinematic viscosity and density of liquid mixtures at 240 〈 T 〈 370 K and 1 〈 p 〈 25 bar. Its operation was monitored by a PC. Details of design and the first experimental results are presented.
    Zusätzliches Material: 10 Ill.
    Materialart: Digitale Medien
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  • 67
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 14 (1991), S. 20-28 
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: A method is proposed for solving the vapour-liquid equilibrium problem in binary distillation processes, when pressure and temperature are known. Special attention is paid to the applicability of the method for control purposes. Therefore, a comparison between measured and estimated concentrations is included for the case of propane-propylene distillation. The method is based on an improved Soave-Redlich-Kwong equation of state and is easy to implement on a process computer. It yields a close approximation of experimental vapour and liquid volumes. On applying the original SRK-equation at high pressures, an error in excess of 20% is obtained in the liquid volume which is one of the reasons why this equation cannot be used for control where high accuracy is required. In addition, the conventional mixing rule cannot reproduce the mole fractions correctly. Therefore, a new density-dependent mixing rule is put forward for modelling of experimental results.
    Zusätzliches Material: 12 Ill.
    Materialart: Digitale Medien
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  • 68
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 14 (1991), S. 59-64 
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: Environmental hazards caused by halogenated hydrocarbons and increasingly stringent regulations for limiting their emission require comprehensive investigations of these substances. The present work deals with the adsorption and desorption of halogenated hydrocarbons on activated carbon. The results could be useful in the utilization of landfill gases because halogenated hydrocarbons must be removed in order to avoid pollution and the loaded activated carbons have to be regenerated. Activated carbons are well suited to removal and recovery of halogenated hydrocarbons from gas flows.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
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  • 69
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: Influence of intraparticle total pressure change on pore mass transport is investigated in physical gas phase adsorption of a single component from an inert carrier medium. The Dusty Gas Model is applied to quantify pore mass transport, assuming local equilibrium between pore fluid and adsorbed phase. Calculated results for single pellet adsorption kinetics of cyclohexane on activated carbon and CO2 on molecular sieve 5 Å are compared with experimental data. It is found that the total pressure drop in the pore system may be as much as 1% of the ambient total pressure. This results in a maximum viscous flow contribution of 13% for the cases studied. Since this contribution is obtained only under conditions of low overall transport rates of the adsorbed component, the assumption of isobaric conditions within the pore system of a porous adsorbent appears justified for most cases of practical calculations.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
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  • 70
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 14 (1991) 
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 71
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 14 (1991), S. 307-310 
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: Fluidized bed drying finds important applications in the chemical industry on account of the following advantages: (a) rapid exchange of heat and mass between drying media and particles yields the desired product quality and reduces the overall drying time and (b) easy handling of feed and product. There is much scope for improving the existing modelling techniques as applied to predicting the performance characteristics of the dryers. This should provide a sound basis for the implementation of appropriate control strategies. This report is a review of prevailing modelling, identification techniques and control strategies. Hopefully, the up to date information in this paper will be found useful for research work on fluidized bed dryIng.
    Materialart: Digitale Medien
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  • 72
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 14 (1991) 
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 73
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 14 (1991), S. 379-385 
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: A three-parameter model for mass transfer by absorption, based on a combined effect of non-steady-state molecular and eddy diffusion through a resistance zone has been suggested, which encompasses all the existing theories on mass transfer at the gas-liquid interface. King's approach [5] to describing gas-liquid mass transfer phenomena through an eddy-diffusivity model can explain some experimental results, but does not provide a general mathematical solution of the problem. The shortcomings of the King's model are overcome in the present work and a general solution is presented. This solution confirms the experimental findings of Versteeg et al. [10] for liquid phase mass transfer. The steady-state solution of the present theory, valid for the dimensionless number α 〉 0, shows a close agreement with experimental data of Luk [22], the only source of all the information necessary for model verification.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
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  • 74
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: Dynamic behaviour of a stirred liquid-liquid extraction column was studied experimentally. Various input variables of the column were varied stepwise and the resulting variations in the system and output variables were measured. In addition to experimental work, a computer model was developed on the basis of the dispersion model to simulate the dynamic behaviour of the extractor. This model forms a component program of the dynamic process simulator DIVA, developed at the TU Stuttgart. The experiments showed that the hydrodynamic parameters exhibit no significant dynamic behaviour of their own. Therefore, changes occurring in these parameters closely follow variations in input and system variables. As a result, steady-state relationships for the calculation of flow parameters could be used in the simulation program. The simulator satisfactorily reproduced the experimental results for a number of disturbances. However, this was not always the case. As shown in the following, the model did not take into account the column level controller which, under certain conditions, exerts a very strong influence on the column's dynamic behaviour. As a result, larger differences occurred between experimental and simulated data. This influence on the extractor's dynamic behaviour can, however, be eliminated by a simple modification of the level controller arrangement.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
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  • 75
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 14 (1991), S. 333-347 
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: Power consumption (Part I) and liquid phase mixing time (Part II) were measured in 0.57, 1.0 and 1.5 m i.d. vessels. A pitched blade downflow impeller (PTD) was used. Design details of the PTD impeller such as diameter (0.22T to 0.5T), blade width (0.25D to 0.4D) and blade thickness (2.8, 4.3 and 6.4 mm) were studied. The effect of sparger type and geometry on power consumption has been investigated. For this purpose, pipe, ring, conical and concentric ring sparger were employed. Design details of the ring sparger such as ring diameter, number of holes and hole size were also studied in depth. Sparger location with respect to the impeller was found to be the most important parameter and was therefore varied for nearly all the spargers studied. A correlation for the power consumption has been developed.
    Zusätzliches Material: 24 Ill.
    Materialart: Digitale Medien
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  • 76
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 14 (1991) 
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 77
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 14 (1991), S. 367-375 
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: Accumulation of the reactant supplied to a cooled semibatch reactor (SBR) will occur if the mass transfer rate across the interface is insufficient to keep pace with the supply rate. Then, due to a low starting temperature or supercooling, the reaction temperature does not rise fast enough to the desired value. This accumulation may eventually lead to a temperature runaway. We investigated the possibility of such an event for reactions of the type “chemically enhanced mass transfer” or “fast” and found that only low distribution coefficients, i.e. 10-4 or lower, can lead to accumulation. At higher distribution coefficients, the mass transfer rate across the interface of a well-mixed dispersion is generally sufficient to prevent accumulation. A thermal runaway in the fast regime exerts a moderate effect, because the effective activation energy is halved. Calculations for the “instantaneous” reaction regime, regarded as a special case of fast reactions, show that there is no runaway possible.
    Zusätzliches Material: 12 Ill.
    Materialart: Digitale Medien
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  • 78
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 14 (1991), S. 386-393 
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: Liquid phase mixing time was measured in 0.57, 1.0 and 1.5 m i.d. mechanically agitated gas-liquid reactors. Transient conductivity technique was used for the mixing time measurement. Pitched blade downflow turbine was employed. The design details of PTD impellers such as diameter (0.22 T to 0.5 T) and blade width (0.25 D to 0.35 D) were studied. The influence of sparger types and their design on mixing time has been investigated. For this purpose, pipe, ring, conical, and concentric ring spargers were employed. The design details of the ring sparger, i.e. ring diameter, number of holes and hole size were also studied in depth. Sparger location with respect to the impeller was found to be the most important variable and, therefore, it was varied for practically all the spargers studied in this work. It was found that the liquid phase mixing time depends on the impeller design, sparger design, sparger location, impeller speed and superficial gas velocity. Correlations have been developed for the dimensionless mixing time.
    Zusätzliches Material: 16 Ill.
    Materialart: Digitale Medien
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  • 79
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 14 (1991), S. 399-405 
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: A control algorithm which has been acclaimed as the best algorithm for a real system may not be the best algorithm for a different real system. Therefore, various self-tuning algorithms for real distillation columns have been evaluated, in order to compare their performances. A variable forgetting factor algorithm is modified using a filter which permits the employment of one instead of two covariance matrices for distillation control. A cautious self-tuning control of SISO system is extended to MIMO system of distillation control. Multivariable self-tuning regulator, multivariable self-tuning controller and multivariable cautious self-tuning controller are implemented with modified variable forgetting factor for linear transfer function model, Waller et al. column, and rigorous non-linear model, Wood and Berry column. For distillation control, a multivariable cautious self-tuning algorithm with modified variable forgetting factor is much simpler than earlier reported algorithms. This has produced better results and demonstrated its effectiveness, even in the presence of noise when other adaptive controllers give unsatisfactory performance.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
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  • 80
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: The influence of particle size dispersity on thermal conductivity of packed beds without fluid flow is investigated. For this purpose, new experimental data for bi- and polydispersed packings are presented and data from the literature reviewed. All data are tabulated. The results of numerical calculations carried out for regular arrangements of spheres are also discussed. The impact of particle size dispersity on thermal conductivity is shown to be primarily due to the change in bed porosity. Thus, prediction can be carried out in the same way as for monodispersed packings if based on the actual bed porosity. A model developed by Schlünder and co-workers is revised and recommended for practical application.
    Zusätzliches Material: 5 Ill.
    Materialart: Digitale Medien
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  • 81
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 14 (1991), S. 357-362 
    ISSN: 0930-7516
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: The effects of particle size (layer thickness), BET surface area and pore size distribution on the reactivity of CaO derived from limestone were studied by using a pH-stat and the BET method. Visual analysis was obtained with SEM, and X-ray diffraction was used to determine the crystalline components present. It was found that the pore size distribution, including pore volume and pore surface distribution, affected the sulphatization behaviour. The larger pores (D 〉 50 Å) with their pore volume and pore surface were to some extent responsible for both initial reactivity and ultimate capacity of CaO.
    Zusätzliches Material: 19 Ill.
    Materialart: Digitale Medien
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  • 82
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 8 (1991), S. 1-7 
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: Describing the disperse state is important for quality assurance, operational safety and the design and modelling of processes, especially in solids technology. Starting materials, intermediates and end products have to be characterized. Apart from representative sampling, preparation greatly influences the results of particle characterization. Very fine particles are normally agglomerated unless a highly dispersed state is stabilized by an additive. For a meaningful measurement, they must be preserved in this state or be definitely dispersed, depending on the type of problem.If the point of interest is the present disperse state with regard to the processing characteristics, e.g. for a filtration, the system should not be changed by the preparation method. If it is necessary to determine the property functions, i. e. the functional relationship between technological and physical properties, it is necessary in general to use a high dispersion energy or a long dispersing time in order to obtain the best achievable dispersion. The finer and more unstable a disperse phase is, the more the correct processing is important for the result. The problems of dispersion in gases and liquids are discussed with some examples.
    Zusätzliches Material: 13 Ill.
    Materialart: Digitale Medien
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  • 83
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 8 (1991), S. 48-54 
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: Crystals and crystal agglomerates exhibit a number of specific shape features which evolve in close relation to the conditions of growth and agglomeration. Hence the quantitative evaluation of these shape features by adequately defined shape parameters can serve to obtain a deeper insight into the mechanisms and kinetics of crystal agglomerate formation and to quantify more precisely the quality of crystallization products.
    Zusätzliches Material: 9 Ill.
    Materialart: Digitale Medien
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  • 84
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 8 (1991), S. 40-47 
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: The response of optical particle counters to nonspherical particles is analyzed theoretically and on the basis of experimental results. Theoretical approximations valid for particle diameters d ≪ λ and d ≫ λ (where λ is the wavelength of light) are used to derive some general predictions about the influence of the particle shape on light scattering. These predictions are compared with experiments on six optical particle counters using nonspherical particles. The instruments differ in the kind of illumination (laser or incandescent light), the mean scattering angle and the receiver aperture. When the particle size is smaller than the wavelength the light-scattering diameter of a nonspherical particle comes very close to its volume-equivalent diameter. For irregularly shaped particles larger than the wavelength better conditions than giving a “projected area” response cannot be achieved with an optical arrangement for single-particle detection.
    Zusätzliches Material: 16 Ill.
    Materialart: Digitale Medien
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  • 85
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 8 (1991), S. 63-71 
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: Many commercially important pigments such as titanium dioxide and carbonblack are produced as fumes from a combustion process. The fuming process generates open structured agglomerates conforming to a morphology predicated by physical considerations. For this reason widely different chemical pigments often manifest common physical structure. This structure can be characterized using the concepts of fractal geometry. In this communication the potential usefulness and physical significance of descriptive parameters of the agglomerate structure of fumed pigments based on the concepts of fractal geometry are explored. Similar structures present in high energy ceramic powders are discussed and the potential importance of fractal dimension parameters for the prediction of the physical behaviour of powders is outlined.
    Zusätzliches Material: 14 Ill.
    Materialart: Digitale Medien
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  • 86
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: Based on physical assumptions, simple equations have been derived for the probability of breakage of particles, for the dependence of fragmentation energy on particle size and for the fragment size distributions as a function of mass-specific energy. The particles were considered as spheres, and Hertz theory of the stress distribution at the contact between a sphere of brittle material and a flat surface was applied in combination with Weibull statistics of failure. The predicted dependence of the probability of breakage on particle size and mass-specific energy agrees well with experimentally obtained data for single-particle experiments, even if the particles were not spherical. The resulting fragment size distribution could be predicted by the application of fracture mechanics. The theory can also be applied to rock drilling, where the breaking material is considered as a flat surface and the drilling tool as being of spherical shape. In both comminution and drilling, the experimental results agree fairly well with the theory.
    Zusätzliches Material: 14 Ill.
    Materialart: Digitale Medien
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  • 87
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 8 (1991), S. 79-85 
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: The evaporation rates of particles of solid KBr or NH4Cl suspended in argon were studied under high-temperature conditions behind incident shock waves. The mass-transfer process during particle evaporation was observed by two optical techniques allowing the measurement of scattered light from a particle ensemble and also from individual particles. The scattered light flux signals were interpreted on the basis of the Mie theory, resulting in values for the time-dependent particle size and for the refractive index of particle materials. The experiments were performed in the gas-phase temperature ranges TG = 1070-1300K (KBr) and 525-650K (NH4Cl). The initial size of the suspended particles ranged between 0.6 and 1.0 μm. From the measured decrease in the particle size during the mass-transfer process the evaporation coefficients of both materials were determined as a function of the gas-phase temperature. They depend on the vapour pressure and the diffusion coefficient for vapour into gas. Typical parameters (àKBr, m) describing the diffusion coefficient of KBr vapour in argon and the vapour pressure of NH4Cl could be determined.
    Zusätzliches Material: 11 Ill.
    Materialart: Digitale Medien
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  • 88
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 8 (1991), S. 72-78 
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: A combined experimental and theoretical study of the droplet deposition and mist supercooling in a turbulent channel flow has been performed. The measurement of droplet deposition on the unheated and heated channel wall was carried out using a particle-sizing two-dimensional reference-mode laser-Doppler anemomentry technique in a 41 mm × 41 mm vertical square channel at Re = 1.0 × 104 - 6.05 × 104. The dimensionless deposition coefficient kd/uZ. H. Yang Prof. S. L. Lee Department of Mechanical Engineering, State University of New York at Stony Brook, Stony Brook, NY 11794 (USA) is analyzed theoretically based on a new unified theoretical approach for the entire transverse flow region from the turbulent core to the quasi-laminar region next to the boundary wall. The proposed analytical model shows satisfactory agreement with the results of present experimental measurement. In the mist supercooling, the heated surface is cooled by the evaporation on the outside surface of an extra thin continuous liquid film which is maintained by the continuous deposition of extremely small droplets of an optimal size determined by a selection process on the droplets transverse migration due to the dynamic interaction between the phases in a parallel turbulent mist flow. The heat transfer enhancement coefficient depends on droplet deposition rate, droplet size, concentration and the Reynolds number.
    Zusätzliches Material: 11 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 89
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 8 (1991), S. 170-172 
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: British Standards committee GME/29/4 is concerned with “Particle sizing methods other than sieving”. Its work covers not only particle size distribution analysis but also methods of estimation of surface area and pore size distribution, as well as a glossary of terms relevant to those subjects. The current British Standards in the BS 3406 series (particle size analysis) and BS 4359 series (surface area) are reviewed, and a progress report is given on the status of several new and revised Standards which are in preparation.
    Materialart: Digitale Medien
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  • 90
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 8 (1991), S. 164-169 
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: An increased interest in the development of new techniques for fine grinding has resulted in a growing concern over the accuracy of size distributions for extremely fine particles. Since most particle size analyzers have lower detection limits, care must be taken when comparing size distributions which have not been properly mass balanced.An automated technique has been developed in which a completely mass balanced size distribution can be obtained using an Elzone 80XY particle size analyzer. A computer program is used to blend the data from successively smaller orifice tubes, and to determine the weight percent of material finer than the lower detection limit of the analyzer. This result is then used to correct the distribution for the missing fine material. Experimental results indicate that size distributions obtained using this procedure are reproducible and compare favorably with those obtained using other size analysis techniques.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 91
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 8 (1991), S. 200-208 
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: An automatic measuring system was developed to perform simultaneous measurements of particle size and charge distributions in a clean room and other aerosol sources. The system consists of an electrostatic condenser (EC) and an optical particle counter (OPC), which are controlled by a personal computer (PC). The PC automatically varies the voltage on the EC and converts the corresponding OPC counts to charge distributions. The reliabilities of the data inversion method and the automatic measuring system were confirmed by theoretical and experimental examinations, respectively. In the theoretical examination, inverted charge distributions were tested and compared with various assumed input distributions. In the experiment where monodisperse aerosols neutralized by a 85Kr neutralizer were used, the measurement results agreed well with the theoretical Boltzmann charge distribution. The application of this technique is demonstrated by the measurement of charge and size distributions of aerosols in a clean room.
    Zusätzliches Material: 14 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 92
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 8 (1991), S. 209-214 
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: The motion of real oblate particles of different cross-section can be described with sufficient accuracy by equation valid for spheroids. The proof was effected by means of velocity measurements.The application of theoretical considerations to sedimentation analysis allows it to be used to calculate apparent distributions occurring in the sedimentation of monodisperse particles of uniform shape at any orientation relative to the direction of sedimentation. The transfer to polydisperse systems involves several difficulties, which can be avoided in part by suitable approximations. In the case of a particle system with a polydisperse distribution of a main axis, but a constant particle shape, it is possible to calculate the resulting apparent distributions and their deviations from those distributions obtained when applying the volume equivalent particle diameter.
    Zusätzliches Material: 10 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 93
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 8 (1991), S. 215-221 
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: The behavior of particles at the phase transition between a gas or liquid and another liquid phase may be characterized by the so-called wetting (or contact) angle. In contrast to plane surfaces, which allow such measurements to be conducted relatively easily, the determination of the wetting angle between a liquid and the surfaces of fine particles demands extensive preparative measures. The method adopted by Heertjes and Kossen [12] for example, involves compressing a tablet from the powder in question, from which the wetting angle may then be derived. The compression process naturally modifies the superficial structure of the particles, and hence their wetting characteristics. This paper describes a preparation technique with which the wetting angle between a liquid and fine particles can be derived without modifying the surface texture. This involves coating and adhering a monolayer of the powder on a carrier plate and measuring the composite wetting angle of the particles and the adhesive film. The specification of the adhesive's wetting angle and areal porosity of the carrier medium allows the wetting angle of the given powder subsequently to be evaluated.
    Zusätzliches Material: 11 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 94
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 8 (1991), S. 243-243 
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 95
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 8 (1991), S. 243-244 
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 96
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 8 (1991), S. 245-258 
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: Mathematical tools are provided for computation of the scattered field produced by a spherical particle moving through the region of interference of two crossing laser beams. This formulation is readily applicable to laser Doppler and phase Doppler anemometers (PDAs). In particular, the geometry of PDAs is treated in the most general terms. The cases of very large and very small particles are considered in detail. In the first part the theory underlying the computer code STREU, which was produced during the present work, is discussed and relevant mathematical formulations are presented. Also, graphical tools are provided for the convenience of the designers.In Part 2 the utility of the computer code is demonstrated with the help of examples in the area of phase Doppler anemometry. It is shown that the phase Doppler technique may be used for sizing of submicron particles in addition to large particles. Measurement of particle refractive index, in addition to the diameter, is also made possible.
    Zusätzliches Material: 10 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 97
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 8 (1991), S. 287-293 
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: The range of the parameters of the Nukiyama-Tanasawa distribution function was analysed, leading to the identification of the physically relevant parameter space. The analysis was also applied to the Rosin-Rammler distribution function.
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 98
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 8 (1991), S. 282-286 
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: Dynamic light scattering is a technique used for the optical determination of a colloidal particle size distribution. A simple procedure, based on a trapezoidal model for the linewidth distribution function, is given for obtaining a constrained regularized inversions of correlation data obtained in dynamic light scattering experiments, and estimating the accuracy of such inversions. Based on the eigenfunction decomposition of the Laplace integral equation, error bars, which are directly related to the accuracy of the correlation data, may be placed on both analytical and discrete inversions. By using a regularization procedure, and a nonnegativity constraint, problems with statistical noise in data may be handled effectively.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 99
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 8 (1991), S. 294-296 
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Notizen: The calibration of electrical sensing zone instruments is normally achieved by using spherical particles with a certified size. An alternative and more fundamental procedure, known as mass or self-calibration, is to use particles of the material under test.This work concerns the mass calibration technique, in particular the equations used to calculate the mass calibration constant. It is demonstrated that some of the published expressions are inconsistent. An expression particularly suitable for the Coulter Counter Model ZM has been derived and validated. Some experiments were also performed using irregular particles, in order to compare both calibration methods.
    Zusätzliches Material: 1 Ill.
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 100
    Digitale Medien
    Digitale Medien
    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 8 (1991), S. 323-323 
    ISSN: 0934-0866
    Schlagwort(e): Chemistry ; Industrial Chemistry and Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Maschinenbau , Werkstoffwissenschaften, Fertigungsverfahren, Fertigung
    Materialart: Digitale Medien
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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