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  • General Chemistry  (13,150)
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  • 101
    Electronic Resource
    Electronic Resource
    Comments on the PLS kernel algorithm (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 169-174 
    Details
    ISSN: 0886-9383
    Keywords: Kernel algorithm ; PLS ; SVD ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Lindgren et al. (J. Chemometrics, 7, 45-49 (1993)) published a so-called kernel algorithm for PLS regression of Y against X when the number of objects is very large. The algorithm is based solely on deflation of the cross-product matrices XTX, YTY and XTY. The algorithm is now described in a shorter and more transparent way and compared with a similar algorithm for the singular value decomposition of XTY.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080208
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  • 102
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080301
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  • 103
    Electronic Resource
    Electronic Resource
    Evaluation and control of measurements, John Mandel, Quality and Reliability Series, Marcel Dekker, New York, 1991, ISBN O-8247-8531-2, xi + 249 pp. £58.77 (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 241-241 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080306
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  • 104
    Electronic Resource
    Electronic Resource
    Generalized rank annihilation method. III: Practical implementation (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 273-285 
    Details
    ISSN: 0886-9383
    Keywords: GRAM ; Least-squares problem ; Eigenvalue problem ; NIPALS ; Performance index ; Condition number ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this paper we discuss the practical implementation of the generalized rank annihilation method (GRAM). The practical implementation comes down to developing a computer program where two critical steps can be distinguished: the construction of the factor space and the oblique rotation of the factors. The construction of the factor space is a least-squares (LS) problem solved by singular value decomposition (SVD), whereas the rotation of the factors is brought about by solving an eigenvalue problem. In the past several formulations for GRAM have been published. The differences essentially come down to solving either a standard eigenvalue problem or a generalized eigenvalue problem. The first objective of this paper is to discuss the numerical stability of the algorithms resulting from these formulations. It is found that the generalized eigenvalue problem is only to be preferred if the construction of the factor space is not performed with maximum precision. This is demonstrated for the case where the dominant factors are calculated by the non-linear iterative partial least-squares (NIPALS) algorithm. Several performance measures are proposed to investigate the numerical accuracy of the computed solution. The previously derived bias and variance are proposed to estimate the number of physically significant digits in the computed solution. The second objective of this paper is to discuss the relevance of theoretical considerations for application of GRAM in the presence of model errors.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080406
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  • 105
    Electronic Resource
    Electronic Resource
    Comments on ‘Data analysis with minimal assumptions’ (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 299-301 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080411
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  • 106
    Electronic Resource
    Electronic Resource
    Diary (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080502
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  • 107
    Electronic Resource
    Electronic Resource
    Interactive variable selection (IVS) for PLS. Part 1: Theory and algorithms (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 349-363 
    Details
    ISSN: 0886-9383
    Keywords: Variable selection ; PLS ; Calibration ; Modelling ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A modified PLS algorithm is introduced with the goal of achieving improved prediction ability. The method, denoted IVS-PLS, is based on dimension-wise selective reweighting of single elements in the PLS weight vector w. Cross-validation, a criterion for the estimation of predictive quality, is used for guiding the selection procedure in the modelling stage. A threshold that controls the size of the selected values in w is put inside a cross-validation loop. This loop is repeated for each dimension and the results are interpreted graphically. The manipulation of w leads to rotation of the classical PLS solution. The results of IVS-PLS are different from simply selecting X-variables prior to modelling. The theory is explained and the algorithm is demonstrated for a simulated data set with 200 variables and 40 objects, representing a typical spectral calibration situation with four analytes. Improvements of up to 70% in external PRESS over the classical PLS algorithm are shown to be possible.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080505
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  • 108
    Electronic Resource
    Electronic Resource
    Diary (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080602
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  • 109
    Electronic Resource
    Electronic Resource
    A frequency deconvolution procedure using a conjugate gradient minimization method with suitable constraints (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 409-421 
    Details
    ISSN: 0886-9383
    Keywords: Deconvolution ; FT-IR spectroscopy ; Protein conformations ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In a variety of spectroscopic techniques the fundamental problem exists of determination of the individual spectral components, intrinsically overlapped in the measured spectrum. This is a typical deconvolution problem and several methods and techniques have been proposed for its solution in the technical literature, but suggestions of new approaches are still of interest. A new deconvolution procedure is presented here based on the use of the conjugate gradient minimization algorithm with the addition of sutiable constraints directly obtained by the application to the measured spectrum of the second-derivative operator or more sophisticated resolution enhancement procedures. Since in the examined case deconvolution essentially requires the minimization of a non-convex function, the use of such constraints is extremely important to supply suitable input parameters to the conjugate gradient algorithm to avoid obtaining minimum points which have no physical meaning. In our case each spectral compoent used for deconvolution has been assumed to have a Gaussian analytical definition fully identified by three parameters (amplitude, central frequency, spectral bandwidth), so that the input values required to start the deconvolution process are the number M of Gaussian components and 3M suitable initial approximations of the parameters above. It is shown that all this information can be obtained from the measured data. The deconvolution procedure was implemented by a FORTRAN Microsoft Version 5.1 program and experimental results relative to spectroscopic data obtained by FT-IR analysis of human serum albumin are reported. The results are discussed and compared with data obtained by the use of other techniques.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080606
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  • 110
    Electronic Resource
    Electronic Resource
    Experimental design: A chemometric approach, 2nd edn, Stanley N. Deming and Stephen L. Morgan, Elsevier, Amsterdam, 1993, ISBN 0-444-891 11-0, 453 pp. $177.25, Dfl 310.00 (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 446-448 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080610
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  • 111
    Electronic Resource
    Electronic Resource
    Announcement (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080611
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  • 112
    Electronic Resource
    Electronic Resource
    Statistical thinking and technique for QSAR and related studies. Part II: Specific methods (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 1-20 
    Details
    ISSN: 0886-9383
    Keywords: Discriminant analysis ; Least squares ; Prediction ; Regression ; Relationship ; Structure ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Twenty-two contrasting statistical methods are reviewed for their applicability to QSAR studies and similar prediction-oriented fields. Each method is concisely specified prior to explanatory or critical comment.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080103
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  • 113
    Electronic Resource
    Electronic Resource
    Application of a genetic algorithm to feature selection under full validation conditions and to outlier detection (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 65-79 
    Details
    ISSN: 0886-9383
    Keywords: Genetic algorithms ; Full validation ; Feature selection ; Outlier detection ; Multivariate analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Genetic algorithms have been proved to be a very efficient method in the feature selection problem. However, as for every other method, if the validation of the results is performed in an incomplete way, erroneous conclusions can be drawn. In this paper a development of a previous genetic algorithm is presented so that a full validation of the results can be obtained. Furthermore, this algorithm has been shown to perform very well also as an outlier detector, allowing easy identification of the presence of outliers even in cases where the ‘classical’ techniques fail.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080107
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  • 114
    Electronic Resource
    Electronic Resource
    A graphical technique for assessing differences among a set of rankings (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 81-93 
    Details
    ISSN: 0886-9383
    Keywords: Sensory evaluation ; Cumulative ranks ; Assessor variation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A graphical method of assessing differences between sets of rankings based on cumulative ranks is developed. The method can be used to identify rankings that differ over all or just part of the range of objects ranked. The method is applied to an example of sensory evaluation of green peas in which ten assessors scored six attributes on each of 60 samples.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080108
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  • 115
    Electronic Resource
    Electronic Resource
    Diary (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080402
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  • 116
    Electronic Resource
    Electronic Resource
    Classification of pyrolysis mass spectra of biological materials using convex cones (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 305-331 
    Details
    ISSN: 0886-9383
    Keywords: Pyrolysis ; Mass spectroscopy ; Multivariate analysis ; Biological material identification ; Convexity ; Cones ; Subspaces ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This work addresses the classification of high-dimensional time-dependent pyrolysis mass spectra of biological samples. The aim was the detection and classification of biological agents, and the developed approach resembles mixture analysis. The data were projected on to a low-dimensional subspace using singular value decomposition. Then a convex cone was formed on this subspace, showing as its corners physically meaningful components of the sample. This technique enabled separation of a biological material signal largely independent of the absolute amount of sample. The detection of the presence of any biological material could be accomplished based on the convex cone alone, without other reference to the mass spectra. Automated clustering of samples was successfully carried out using a minimal spanning tree.
    Additional Material: 20 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080503
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  • 117
    Electronic Resource
    Electronic Resource
    Measurement, regression and calibration, Philip Brown, Oxford Statistical Science Series. Vol. 12, Oxford Science Publications, Oxford, 1993, No of pages: 224. Price: £27.50. ISBN 0 19-852245-2 (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 371-372 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080507
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  • 118
    Electronic Resource
    Electronic Resource
    Kernel-based PLS regression; Cross-validation and applications to spectral data (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 377-389 
    Details
    ISSN: 0886-9383
    Keywords: Kernel PLS regression ; Cross-validation ; Model dimensionality ; Multivariate image regression ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Multivariate images are very large data structures and any type of regression for their analysis is very computer-intensive. Kernel-based partial least squares (PLS) regression, presented in an earlier paper, makes the calculation phase more rapid and less demanding in computer memory. The present paper is a direct continuation of the first paper. In this study the kernel PLS algorithm is extended to include cross-validation for determination of the optimal model dimensionality. To show the applicability of the kernel algorithm, two examples from multivariate image analysis are used. The first example is an image from an airborne scanner of size 9 × 512 × 512. It consists of nine images which are regressed against a constructed dependent image to test the accuracy of the kernel algorithm when used on large data structures. The second example is a satellite image of size 7 × 512 × 512. Several different regression models are presented together with a comparison of their predictive capabilities. The regression models are also used as examples for showing the use of cross-validation.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080604
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  • 119
    Electronic Resource
    Electronic Resource
    CHESM-93, Chemometrics and Environmetrics Meeting, Bologna Italy, 21-24 August 1993 (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 99-100 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080111
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  • 120
    Electronic Resource
    Electronic Resource
    Diary (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080202
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  • 121
    Electronic Resource
    Electronic Resource
    Generalized rank annihilation method. I: Derivation of eigenvalue problems (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 147-154 
    Details
    ISSN: 0886-9383
    Keywords: RAFA ; GRAM ; Eigenvalue problem ; Complex solution ; Degenerate solution ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Rank annihilation factor analysis (RAFA) is a method for multicomponent calibration using two data matrices simultaneously, one for the unknown and one for the calibration sample. In its most general form, the generalized rank annihilation method (GRAM), an eigenvalue problem has to be solved. In this first paper different formulations of GRAM are compared and a slightly different eigenvalue problem will be derived. The eigenvectors of this specific eigenvalue problem constitute the transformation matrix that rotates the abstract factors from principal component analysis (PCA) into their physical counterparts. This reformulation of GRAM facilitates a comparison with other PCA-based methods for curve resolution and calibration. Furthermore, we will discuss two characteristics common to all formulations of GRAM, i.e. the distinct possibility of a complex and degenerate solution. It will be shown that a complex solution-contrary to degeneracy-should not arise for components present in both samples for model data.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080206
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  • 122
    Electronic Resource
    Electronic Resource
    Efficiency in research, development and production: The statistical design and analysis of chemical experiments, Leslie Davies, Royal Society of Chemistry, Cambridge, 1993, ISBN 0 85186 137 7 xii + 180 pp., available from The Royal Society of Chemistry, Turpin Distribution Services, Ltd., Blackhorse Road, Letchworth, Herts SG6 IHN, U.K., £19.50 (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 177-178 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080210
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  • 123
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    Electronic Resource
    Conference announcement (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 179-180 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080211
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  • 124
    Electronic Resource
    Electronic Resource
    Comments on the DATa ANalysis (DATAN) algorithm and rank annihilation factor analysis for the analysis of correlated spectral data (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 287-292 
    Details
    ISSN: 0886-9383
    Keywords: Rank annihilation ; Principal components ; Procrustes rotation ; Multivariate analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It is shown that the DATa ANalysis (DATAN) algorithm can be expressed in terms of rank annihilation factor analysis (RAFA). Subsequent advances in RAFA are applied to DATAN to eliminate the problems and restrictions associated with DATAN. The extension of DATAN in terms of the trilinear decomposition algorithm is discussed.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180080407
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  • 125
    Electronic Resource
    Electronic Resource
    Neural networks for chemists. An introduction, Jure Zupan and Johann Gasteiger, VCH, Weinheim, 1993, ISBN 3-527-28603-9 (soft cover), 3-527-28592-X (hard cover), 305 pp., £28 (soft), £57 (hard) (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 297-298 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080410
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  • 126
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080501
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  • 127
    Electronic Resource
    Electronic Resource
    On the use of conditional maximization in chemometrics (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 365-370 
    Details
    ISSN: 0886-9383
    Keywords: Censored data ; ECM and EM algorithms ; Incomplete data ; Maximum likehhood ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The purpose of this short communication is to illustrate the use of conditional maximization (CM) in chemometric applications. The CM algorithm is useful in reducing the computational complexity when a high-dimensional and complicated maximization problem arises from fitting chemometric models. It can also be efficiently combined with the expectation-maximization (EM) algorithm for handling incomplete data, a problem that sometimes arises when only a part of the intended data can be collected. Three models from fluorescence spectroscopy are used for illustration.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080506
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  • 128
    Electronic Resource
    Electronic Resource
    Masthead (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080601
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  • 129
    Electronic Resource
    Electronic Resource
    Use of double windowing, variable selection, variable ranking and resolvability indices in window factor analysis (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 423-437 
    Details
    ISSN: 0886-9383
    Keywords: Resolvability ; Evolutionary factor analysis ; Variable selection ; Window factor analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method for selecting variables in the non-sequential direction of a two-way data matrix (e.g. wavelength in diode array HPLC) is described. Composition 1 and 2 resolvability indices are calculated according to the size of eigenvalues of uncentred data matrices as a window is moved along the sequential direction. A double-window technique is then performed where resolvability indices are calculated as a window is moved along the non-sequential direction. Some regions have higher resolvability indices and hence are more useful for resolution. Variables are ranked according to resolvability. Two simulations are analysed and it is shown that it is possible to obtain good resolution on a small subset of the original variables.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180080607
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  • 130
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    Diary (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080102
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    Error analysis of the generalized rank annihilation method (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 45-63 
    Details
    ISSN: 0886-9383
    Keywords: GRAM ; GSVD ; Propagation of errorS ; Correlated noise ; Uncorrelated noise ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The effects of correlated and uncorrelated random errors on the precision of predicted quantitative and qualitative information obtained by analysis with the generalized rank annihilation method (GRAM) are shown. These are discussed in terms of propagation of errors through the algorithm. The effects of colinearity, noise level and noise distribution are compared and discussed.
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    TRIC, The First Conference on Three-way Methods in Chemistry, Epe, Netherlands, 227-25 August, 1993 (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 97-98 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080110
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    Masthead (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080201
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    Slowly converging parafac sequences: Swamps and two-factor degeneracies (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 155-168 
    Details
    ISSN: 0886-9383
    Keywords: Trilinear models ; Tensorial resolution ; PARAFAC ; Swamps ; Two-factor degeneracy ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The alternating least squares PARAFAC algorithm is a useful tool for resolving trilinear three-way data arrays. Occasionally, however, it becomes bogged down for many iterations in the vicinity of a poor quality resolution before moving on to a much superior optimum fit. We investigate this behavior in a simulation study and suggest ways of overcoming the obstacles it presents.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180080207
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    Identifying significant effects in fractional factorial experiments (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 205-219 
    Details
    ISSN: 0886-9383
    Keywords: Fractional factorial design ; Significant effects ; ANOVA ; Probability plotting ; Bayes plot ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper presents a method for identifying significant effects in fractional factorial designs. The method is based on comparing functions of the estimated effects with a scale invariant reference distribution. The method is illustrated and compared with alternative techniques on a dataset from processed cheese production. The method corresponded well to other methods (probability plotting and Bayes plot) that do not make use of error estimates. These methods were better than F-tests with few (two or four) degrees of freedom for error.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180080304
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    Masthead (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080401
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    Direct distance measures in factor analysis spectral resolution (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 245-261 
    Details
    ISSN: 0886-9383
    Keywords: Factor analysis ; Spectral resolution ; Two-dimensional luminescence ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A factor analysis algorithm that estimates the spectra of mixture components using the set of most dissimilar rows and/or columns is described and illustrated. This algorithm uses the distance as a measure of spectral similarity and is suitable for application to a variety of the bilinear matrix-formatted data types produced by hyphenated and multidimensional analytical techniqes. The algorithm requires that the data matrix contain at least one row or column that corresponds to the pure spectrum of each component to effect accurate spectral resolution. The performance of the method is illustrated using the resolution of excitation and emission spectra of up to four components from experimental fluorescence excitation-emission matrices (EEMs). In the case of the EEM, characteristic bands in an emission spectrum effect resolution of the excitation spectrum of the corresponding component, while characteristic bands in an excitation spectrum lead to resolution of the corresponding emission spectrum. The use of the set of most dissimilar rows and columns to evaluate the degree of overlap in the component spectra and compare the quality of row and column solutions is also described.
    Additional Material: 6 Ill.
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    Methods for experimental design, Jacques L. Goupy, Elsevier, Amsterdam, 1993, ISBN 0-444-89529-9, 465 pp., 325 fl (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 293-294 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080408
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    Statistical methods in analytical chemistry, Peter C. Meier and Richard E. Zünd, Wiley, New York, 1993, ISBN 0-471-58454-1, 321 pp. (disk included), £49.50 (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 295-296 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080409
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    Correction (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 303-303 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080413
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    Erratum (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 373-373 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080508
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    Mathematical analysis of spectral orthogonality, John H. Kalivas and Patrick M. Lang, Marcel Dekker, New York, 1993, ISBN 0-8247-9155-X, 344 pp., $145.00 (1994)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 445-446 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180080609
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    Fluidization: Idealized and bubbleless, with applications by M. Kwauk, ellis horwood, new york, 1992, 277 pp., $85.50. (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 380-380 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400219
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    Carbon adsorption for pollution control by Nicholas P. Cheremisinoff and Paul N. Cheremisinoff, prentice hall, englewood ciffs, nj, 1993, 216pp., $57.00 (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 381-381 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400221
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    Mixing in polymer processing edited by Chris Rauwendaal, Marcel Dekker, new york, 1991, 496pp., $160.00 (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 383-383 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400224
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    Drop size distribution and holdup profiles in a multistage extraction column (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 407-418 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A population-balance-equation model is employed for the analysis of liquid-liquid extraction columns. This model considers drop breakage, coalescence, and exit phenomena for the drop phase caused by drop-drop and drop-continuous phase interactions. Drop breakage and coalescence rates are employed from a previous study on liquid dispersions in stirred-tank contactors. A drop exit frequency is developed based on a stochastic modeling approach. The model is tested by drop size distribution and dispersed-phase volume fraction (holdup) data obtained for a multistage column contactor of pilot-plant scale. Steady-state drop size distribution and transient holdup measurements are obtained by a photomicrographic technique and an ultrasonic technique, respectively. The model can predict flooding of the column. The effect of mass transfer on the hydrodynamic parameters of the contactor is also examined. The population-balance-equation model can be used for the control of extraction columns and can be extended to include mass-transfer calculations for the prediction of extraction efficiency.
    Additional Material: 13 Ill.
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    URL: http://dx.doi.org/10.1002/aic.690400304
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    Modeling, simulation and kinetic parameter estimation in batch crystallization processes (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 586-593 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A dynamic model of a seeded batch crystallizer is used to investigate the process-dependent aspects of nucleation and growth kinetic parameter estimation by computer simulation. The satisfactory identification of all parameters in power-law-type kinetics with respect to supersaturation requires the use of nonlinear parameter transformations. The proper choice for transformation is problem-dependent, becoming more sensitive as nucleation rates increase, and the percentage of crystals below the measurable range increases.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/aic.690400403
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    Application of Voronoi tessellation for modeling randomly packed hollow-fiber bundles (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 606-612 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Influence of local voids on flow maldistribution in randomly packed fiber bundles is examined by Voronoi tessellation. A theoretical expression for the local void distribution caused by random placement of fibers is developed by using a randomcell model. Simulations and packing experiments have been conducted to assess the accuracy of the theoretical distribution of cell sizes. In the case of shell side, laminar flow parallel to the fibers, the theoretical distribution is used to estimate fRe (friction factor times Reynolds number) and volumetric flows, and to compare results with ordered arrays and experimental data from literature. The results are used to assess the contributions of local voidage variation to flow bypass. This has implications for the prediction of pressure drop and heat and mass transfer in hollow-fiber module applications where transport is dominated by flow on the shell side.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/aic.690400405
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    Application of electrolyte theory to extractive separations using hydrotropes (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 621-626 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The use of polar hydrotropes in extractive and in liquid-liquid extraction has been extensively reported in the literature. In this article, the effect of hydrotropes on increasing the effectiveness of separation is explained in terms of the effect of the dipole-induced dipole and the ion-induced dipole interactions on the activity coefficients of the neutral solutes in the aqueous phase. The self-consistent local composition theory is used to correlate quantitatively the observed behavior in systems involving liquid-liquid equilibria. The theory yields composition-dependent expressions for the effect of each independent pair interaction on the activity coefficient of a neutral solute in the aqueous phase. The ratio of the activity coefficients of the two solutes is of interest in this context. The resulting expression for the separation factor is elegant and admits simple physical interpretation. The essential features of hydrotrope-assisted extraction are correctly described by the theory. The ability of the theory to correlate data is demonstrated for two systems.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/aic.690400407
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    Structural analysis and output feedback control of nonlinear multivariable processes (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 647-669 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: This article concerns general multivariable nonlinear processes, particularly those with singular characteristic matrix. A precise characterization of the structural process properties that give rise to generic singularity of the characteristic matrix is initially developed within a graph-theoretic analysis framework. An output feedback controller synthesis problem is then formulated for multivariable processes with singular characteristic matrix. A comprehensive solution to this problem is obtained through a combination of dynamic state feedback controllers and state observers. The performance and robustness characteristics of the proposed control methodology are illustrated through simulations in a double-effect evaporator.
    Additional Material: 19 Ill.
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    Thermodynamics of phase equilibria in aqueous-organic systems with salt (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 676-691 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A semiempirical thermodynamic method is developed to establish a framework for calculating vapor-liquid and liquid-liquid equilibria in ternary systems containing water, an organic solvent, and a salt. Careful attention is given to precise definition of standard states. Short-range ion-solvent forces are taken into account primarily by a chemical-equilibrium method based on stepwise ion solvation; however, physical contributions also contribute. Water-cosolvent nonideality is described by an extended equation of the van Laar form. Long-range electrostatic forces between ions are taken into account by an extended Debye-Hückel equation with corrections for transferring from a McMillan-Mayer to a Lewis-Randall framework.The new method is illustrated with results for several systems including saturated aqueous mixtures of LiBr or LiCl with methanol where the salt concentration exceeds 20 molal. The method developed here is of particular interest for process calculations in extractive crystallization, a low-energy operation for producing salt from aqueous solution.
    Additional Material: 5 Ill.
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    Analysis of bacterial migration: I. Numerical solution of balance equation (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 704-715 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Chemotaxis describes the ability of motile bacteria to bias their motion in the direction of increasing gradients of chemicals, usually energy sources, known as attractants. In experimental studies of the migration of chemotactic bacteria, 1-D phenomenological cell balance equations (Rivero et al., 1989) have been used to quantitatively analyze experimental observations (Ford et al., 1991; Ford and Lauffenburger, 1991). While attractive for their simplicity and the ease of solution, they are limited in the strict mathematical sense to the situation in which individual bacteria are confined to motion in one dimension and respond to attractant gradients in one dimension only. Recently, Ford and Cummings (1992) reduced the general 3-D cell balance equation of Alt (1980) to obtain an equation describing the migration of a bacterial population in response to a 1-D attractant gradient. Solutions of this equation for single gradients of attractants are compared to those of 1-D balance equations, results from cellular dynamics simulations (Frymier et al., 1993), and experimental data from our laboratory for E. coli responding to α-methylaspartate. We also investigate two aspects of the experimentally derived expression for the tumbling probability: the effect of different models for the down-gradient swimming behavior of the bacteria and the validity of ignoring the temporal derivative of the attractant concentration.
    Additional Material: 10 Ill.
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    Two methods of selecting smoothing splines applied to fermentation process data (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 716-725 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Two methods for generating smoothing splines are compared and applied to data from a fed-batch fermentation process. One method chose both the degree of the spline and its parameters by minimizing the generalized cross validation (GCV) function using a genetic algorithm (GA). The other method adjusted the smoothing spline to a specified chi-square goodness-of-fit, requiring prior knowledge of the measurement variability. The GCV/GA method led to excellent results with all the fermentation data records. The goodness-of-fit method gave a family of spline fits; splines with a low percentage fit extracted trends from the data, while for general use a 50% fit appeared satisfactory. The goodness-of-fit method executed more quickly than the GCV/GA method, but the GCV/GA method was more generally applicable as it chose both the degree of the spline and the amount of smoothing automatically.
    Additional Material: 8 Ill.
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    Chemical processing handbook. Edited by John J. McKetta, Marcel Dekker, New York, 1993, 972 pp., $225.00 (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 738-738 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400416
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    Physical forces and the mammalian cell. Edited by J. A. Frangos, Academic Press, 1993, 400 pp. (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 738-739 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400417
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    Masthead (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994) 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400501
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    Microhydrodynamics: Principles and selected applications. By Sangtae Kim and Seppo J. Karrila, Butterworth-Heinemann, Boston, 1991, 507 +xxiii pp., $69.95 (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 739-743 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400418
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    Masthead (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994) 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400101
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    Refining the aims of AIChE Journal (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1-1 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400102
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    Gravity-Driven reactive coating flow down an inclined plane (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 2-10 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The coating flow of a reactive fluid on an inclined plane is studied. The fluid viscosity steadily increases due to a sustained cross-linking reaction. Using well-known long wave approximations and a simple kinetic relation, we find that the linear stability of a uniform coating is affected not only by the inclination angle but also by the reaction order. In the weakly nonlinear limit, a generalized Kuramoto-Sivashinsky (K-S) equation is derived. Two interesting cases are identified in the limit of creeping flow. One is when surface tension is moderate and a generalized Burger's equation results, and the other is when the surface tension is large and the traditional K-S equation is recovered when the inclination angle is greater than 90°. The solution in this case represents a shock-like traveling wave down the incline and it appears to be unique for reacting coating flows.
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    Dynamic scaling of the cluster-size distribul nucleation: Precoalescence stages (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 11-18 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The dynamic evolution of the cluster-size distribution (CSD) in the precoalescence stages of nucleation and growth for sizes within and beyond the nucleation barrier layer (NBL) has been obtained. The existence of several universal kinetic laws of nucleation is predicted. In the precoalescence stages of nucleation, the CSD for sizes within and beyond the NBL obeys dynamic scaling relations. In a range of sizes beyond the NBL, the CSD exhibits a universal power law behavior, the exponent of which depends only on the interphase monomer transfer mechanism. Based on the results for the CSD, a general foundation is developed for nucleation kinetic measurements including the determination of the nucleation barrier and the inter-facial monomer transport rate by measuring the CSD. A preliminary comparison with an experimental study confirms the predicted dynamic scaling and the power law behavior of the CSD in the early stages of nucleation and growth.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/aic.690400104
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    Modeling bubble and drop formation in flowing liquids in microgravity (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 19-28 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A theoretical model for the process of bubble and drop formation in flowing liquids, applicable for both terrestrial and microgravity environments, has been developed by using a force balance. The contact angle variation at the nozzle due to the bubble motion and the added mass coefficient of the bubble moving through a pipe have been theoretically analyzed, considering bubble motions during its expansion and detachment stages. Predictions of bubble size of the model show satisfactory agreement with available experimental results in the case of normal gravity. The effects of the nondimensional variables on bubble and drop size are evaluated in microgravity conditions. In microgravity, the bubble is detached from the nozzle only by the liquid flow drag, and in the region of low liquid velocity the bubble size becomes much larger than that in normal gravity.
    Additional Material: 9 Ill.
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    URL: http://dx.doi.org/10.1002/aic.690400105
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    Structure of falling film heat and mass transfer on a fluted tube (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 756-766 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The falling liquid film has become a popular means of transferring heat and mass from a vapor to a binary liquid, especially in gas-fired heat pump systems. Ideally, the required amount of heat and mass transfer can be accomplished by using a simple cylindrical tube; however, increasingly stringent size and weight requirements for the machine prohibit use of the simple cylindrical surface, and other more complex surfaces with higher absorption capacities have been sought. In this article, absorption of a single component and condensation of a binary mixture on an axially fluted tube is considered. The solution to the problem hinges on the energy equation, although the entire energy transfer process is mass-transfer-limited. Significant mass transfer is limited to a thin layer near the liquid-vapor interface. Solutions to the energy equation are obtained for both the conduction- and convection-dominated regimes. In the latter, significant heat transfer occurs within a thin layer near the liquid-vapor interface which contains the mass transfer layer; this “boundary layer” structure does not appear to have been recognized in previous work in this area. Using the present results, the capacity of a given tube may be predicted as a function of governing geometrical and physical parameters. The principal objective of this work is to develop the theoretical tools from which computations may be carried out during a design process. The theoretical results may be applied to mixtures typical of application in the absorption heat pump industry.
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    URL: http://dx.doi.org/10.1002/aic.690400503
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    Oxygen permeation through thin mixed-conducting solid oxide membranes (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 786-798 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A new approach for developing fundamental equations of oxygen permeation through thin mixed-conducting oxide ceramic is presented considering both surface reactions on membrane-gas interfaces and the diffusion of charged species in the bulk oxide. The essence of this work is the coupling of surface reactions with the bulk diffusion using a novel approach which differs from the conventional Wagner. Theory applicable only to limited cases. With this approach, fundamental equations based on various permeation mechanisms can be derived for oxygen permeation through thin mixed-conducting oxide membranes, which is impossible using conventional approach. In general, the final results are a complex implicit equation correlating the oxygen permeation flux to the driving force, membrane thickness, and rate constants with physical significance in each step. Somewhat simpler theoretical oxygen permeation equations are obtained for some special cases (mixed-conducting membranes with a rate-limiting step, ionic-conducting membranes, ionic-conducting membranes with a reducing agent in permeate side). Theoretical results derived using this new approach agree excellently with the experimental oxygen permeation data. It is theoretically and experimentally shown that for ionic conductors, the surface permeation parameter measured by the dynamic permeation method is directly related to the oxygen isotope exchange rate constant measured under equilibrium conditions.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/aic.690400506
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    Process monitoring and diagnosis by multiblock PLS methods (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 826-838 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Schemes for monitoring the operating performance of large continuous processes using multivariate statistical projection methods such as principal component analysis (PCA) and projection to latent structures (PLS) are extended to situations where the processes can be naturally blocked into subsections. The multiblock projection methods allow one to establish monitoring charts for the individual process subsections as well as for the entire process. When a special event or fault occurs in a subsection of the process, these multiblock methods can generally detect the event earlier and reveal the subsection within which the event has occurred. More detailed diagnostic methods based on interrogating the underlying PCA/PLS models are also developed. These methods show those process variables which are the main contributors to any deviations that have occurred, thereby allowing one to diagnose the cause of the event more easily. These ideas are demonstrated using detailed simulation studies on a multisection tubular reactor for the production of low-density polyethylene.
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    Stability in optimal design: Synthesis of complex reactor networks (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 849-861 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A systematic methodology applicable to the optimal design of stable process systems is presented. It is based on the formulation of a parametric problem that provides bounds on the optimal stable solution and an iterative algorithmic approach that attains convergence of the bounds in a finite number of iterations. The bounds on the optimal stable solution are based on analytical expressions of bounds on the eigenvalues of the Jacobian matrix using the concept of the measure of the matrix. When extended to the synthesis problem of reactor networks, the approach is able to couple the optimization problem with stability issues even in cases where the number of reactors is large and the reaction mechanism is described by a general complex reaction scheme. Furthermore, since at the synthesis level the reactor network represents an exhaustive superposition of the existing structural and operational alternatives, the approach fully exploits these alternatives and coordinates a weighted optimal search that improves the objective and accommodates a stable reactor network. This approach is not restricted to the synthesis of reactor networks and can be applied to the design of total process flowsheets.
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    Oxide ion transport for selective oxidative coupling of methane with new membrane reactor (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 870-877 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Oxidative coupling of methane was conducted by using membrane reactors. The nonporous membrane film that consisted of PbO modified by alkaline or alkaline earth compound was supported on porous SiO2-Al2O3 tube. Higher hydrocarbons were successfully synthesized with high selectivity (about 90%). A kinetic analysis was conducted to clarify whether oxide ion transportation through PbO film participated in the oxidative coupling of methane. The evaluated value of the diffusion coefficient of oxide ion transport based on the methane oxidation agreed well with that of published data. The simulated gradient of the oxide ion concentration through the PbO membrane agreed well with that measured by electron probe X-ray microanalyzer. A transient response simulated by using kinetic parameters evaluated from steady-state analysis also agreed well with the experiment. These results prove the validity of the reaction model that consists of surface reactions of methane with oxide ion which is transferred from inside to outside of the membrane reactor. Alkali modifiers on the PbO membrane surface exhibited a promotional effect on the surface reaction of methane coupling. Another membrane reactor containing Bi2O3 showed higher activity than the PbO membrane.
    Additional Material: 17 Ill.
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    Simple approximate rate law for both short- and long-chain rice Herzfeld kinetics (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 908-910 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/aic.690400517
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    Optimal fed-batch control of induced foreign protein production by recombinant bacteria (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 899-907 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Optimal control strategies for maximizing the production of induced foreign protein by recombinant bacteria were sought by the optimal control theory. Nutrient and inducer feeding rates were selected as key control variables. Since the problem is linear in the control variables, the optimal control is bang-bang or singular. Singular solutions are shown to exist. The optimal control theory showed that the specific growth rate with respect to nutrient concentration must be kept in its maximum phase and that there exist both a cell growth period and a protein production periods. The optimal control theory calculates exactly the growth and production periods. The glucose concentration is controlled along a singular are to give a maximum specific growth rate. The inducer level is controlled along a separate singular arc.
    Additional Material: 6 Ill.
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    Handbook of polyolefins. Edited by Cornelia Vasile and Raymond B. Seymour, Marcel Dekker, 1993, $225, 110 pp. (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 911-911 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400518
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    Equilibrium and kinetics of adsorption of Freon-12 at infinite dilution (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 935-943 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Equilibrium and kinetic data for adsorption of trace CF2Cl2 (Freon-12) from various carrier gases on BPL activated carbon are reported. Coadsorption of the bulk carrier gas can severely reduce the equilibrium adsorption capacity and adsorptive mass-transfer coefficient of strongly adsorbed CF2Cl2. The difference in size between CF2Cl2 and the bulk carrier gas molecules plays a major role in establishing the binary or multicomponent equilibrium adsorption properties. The multisite (single and multicomponent) Langmuir model, which accounts for differences in adsorbate sizes, provides a reasonable framework for describing the size effects. The adsorptive mass transfer of CF2Cl2 under the experimental conditions investigated is dominated by surface diffusion into the pores of the activated carbon. The surface diffusivity is a strong function of the extent of coverage and strength of adsorption of the bulk components.
    Additional Material: 8 Ill.
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    Errata (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 956-956 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400606
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    Modeling of combined discrete/continuous processes (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 966-979 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The dynamic behavior of processing systems exhibits both continuous and significant discrete aspects. Process simulation is therefore a combined discrete/continuous simulation problem. In addition, there is a critical need for a declarative process modeling environment to encompass the entire range of processing system operation, from purely continuous to batch. These issues are addressed by this article.A new formal mathematical description of the combined discrete/continuous simulation problem is introduced to enhance the understanding of the fundamental discrete changes required to model processing systems. The modeling task is decomposed into two distinct activities: modeling fundamental physical behavior, and modeling the external actions imposed on this physical system. Both require significant discrete components. Important contributions include a powerful representation for discontinuities in physical behavior, and the first detailed consideration of how complex sequences of control actions may be modeled in a general manner.
    Additional Material: 12 Ill.
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    URL: http://dx.doi.org/10.1002/aic.690400608
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    Ion adsorption and ion exchange in ultrathin films of fatty acids (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1046-1054 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Ion exchange equilibria of ultrathin Langmuir and Langmuir-Blodgett films of stearic and arachidic acids in contact with aqueous electrolyte solutions were studied experimentally and theoretically. A model considering electrochemical and thermodynamic aspects of the adsoption of protons, calcium, and cadmium ions from solution to the film has been developed. Key parameters are the binding constants (K's) of ions and the mixing characteristics (or Flory-Huggins interaction parameters x's) of ions in the two-dimensional film lattice plane. The ternary system can be described by the parameter values determined with binary proton-calcium ion, proton-cadmium ion, and calcium-cadmium ion systems: KCa = 2.9 × 102, KCd = 8.6 × 103, KH = 3.6 × 106, χH - Ca = -0.76, χH-Cd = 0.13, and χCa-Cd = 1.0. Competitive ion adsorption was measured by FTIR ATR spectroscopy of either collapsed or ordered LB films. Data for the proton-calcium-cadmium ion system agreed well with the model predictions. The results show possible future applications of such thin films as ion sensors or ion exchange materials.
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    Protein denaturation in nonlinear isocratic and gradient elution chromatography (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1067-1081 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Protein denaturation, common in hydrophobic adsorption systems, causes misinterpretation of adsorption mechanisms, interferes with analysis in analytical chromatography, and complicates the design of large-scale adsorption processes. A detailed adsorption model isolates the effects due to denaturation from those due to mass transfer and intrinsic adsorption kinetics. The model is verified using protein gradient elution data. Simulations establish that typical symptoms of denaturation in frontal and elution chromatogrrams include sensitivity to changes in feed composition, column length, particle size, and operating conditions (feed size, flow rate, and column history). When a denatured species adsorbs irreversibly, the elution chromatogram shows decreasing peak area with increasing incubation time and apparent adsorption hysteresis over repeated cycles. In gradient elution, the peak elution order, resolution, and relative peak height depend highly on modulator properties and operating conditions. Interfering species limit solid-phase induced denaturation by competing for binding sites. Strategies for detecting and minimizing denaturation are proposed.
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    Applied statistical thermodynamics. By Klaus Lucas, Springer-Verlag, Berlin Heidelberg, 514 pp., 1991 (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1087-1087 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400621
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    Handbook of industrial crystallization. Edited by A. S. Myerson, Butterworth-Heinemann, Boston, 242 pp., 1993 (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1087-1088 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400622
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    Masthead (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994) 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400701
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    Errata (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1117-1117 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/aic.690400704
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    Concentric-tube airlift reactors: Effects of geometrical design on performance (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1105-1117 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Pressure drops, gas holdup, and mass-transfer coefficients were measured in two concentric-tube airlift reactors of 30 and 300 L (nominal volume). The aspect ratio and the ratio of riser to downcomer cross section were the same for both reactors, but the geometry of the gas separation section was different. The influence of the bottom and top clearances was studied using water and carboxymethyl cellulose solutions and covering a range of effective viscosity from 10-3 to 25 × 10-3 Pa·s. The pressure drop results expressed as a Euler number were satisfactorily correlated with Fr, Ga, and a bubble disengagement group M. Correlations are presented also for the gas holdup in the riser, downcomer, and gas separator. The last-mentioned coincides with the correlation for the total holdup in the reactor. The gas-liquid mass-transfer coefficients for all the liquids and geometric variables in both reactors were successfully correlated as Sherwood numbers.
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    Kinetics of p-xylene liquid-phase catalytic oxidation (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1156-1166 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A Semibatch gas-liquid reactor model based on a lumped kinetic schem for the liquid-phase oxidation of p-xylene to p-toluic acid catalyzed by cobalt naphtenate is developed. The model accounts for the complex nature of the involved reaction network, as well as for the interphase and intraphase mass transport processes of both reactants and products. The model reliability is tested by comparison with suitable experimental data obtained in a semibatch oxidation reactor, where the role of the composition of both the gaseous and the liquid feed has been investigated. It is shown that the model describes the reactor behavior in any of the regimes which may prevail depending upon the operating conditions and the depletion of liquid reactants in time.
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    Letters to the editor (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 378-379 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/aic.690400218
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    Applied optimal control and estimation by Frank L. Lewis, prentice hall and texas instruments, englewood clgjs, nj, 1992,624 pp. (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 381-382 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400222
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    Masthead (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994) 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400301
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    Estimating interfacial tension via relaxation of drop shapes and filament breakup (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 385-394 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Two methods are presented for calculating the interfacial tension between two immiscible Newtonian fluids. The procedures require only two measurements of the approximate interface shape during the low-Reynold-number interfacial-tension-driven transient motion of (i) the relaxation of a modestly elongated drop back to a spherical shape or (ii) the growth of capillary wave instabilities along the surface of a thread. The interfacial tension can be estimated by comparing the time differences between the two experimental measurements with tabulated and numerically generated results for the approximate shape evolution. The numerical results are generated using boundary integral method for similar model free-boundary problems at low Reynolds numbers. The tabulated results are presented for drop to suspending fluid viscosity ratios 0.01 to 10.
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    Visualization of flow patterns of cellulose fiber suspensions by NMR imaging (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1408-1411 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/aic.690400812
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    Measurement of diffusion coefficients by Taylor's method of hydrodynamic stability (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1412-1417 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400813
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    Shape change of rough particles (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1426-1430 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400816
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  • 189
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    Strontium sulfate precipitation from electrolyte solutions (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1422-1425 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400815
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  • 190
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    Rise of gas bubbles in quiescent liquids (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1418-1421 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400814
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    Masthead (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994) 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400901
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  • 192
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    Effect of sample size on the microwave heating rate: Oil vs. water (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1433-1439 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: It is generally believed that oil samples heat faster in a microwave oven than do water samples of the same mass. For sufficiently large and thich samples this conventional wisdom is indeed correct, but this trend can be far from true in smaller samples. In a commercially-made home microwave oven, we observed that with decreasing sample size the heating rate of a water sample increases much faster than that of an oil sample. At 50 g the heating rate of a water sample is several times greater than that of an oil sample. Additionally, in studies of cylindrical samples in a customized oven having a unidirectional microwave source, the heating rate of water samples smaller than 2.4 cm in radius is greater than that of oil samples and is a strongly oscillatory increasing function of decreasing sample radius. Combining Maxwell's theory of microwave penetration and the heat conduction equation, we show that this previously unreported oscillatory heating behavior results from the added power absorbed by samples due to resonant absorption of microwaves. The added power arises from standing waves produced by internally reflected microwaves. This effect is small for oil because only 3% of the microwave power is reflected at an oil-air interface. On the other hand, 64% is reflected at a water-air interface, which causes strong resonant heating. Our findings might prove to be useful for future consumer food product development or oven design.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400902
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  • 193
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    Instability of distillation columns (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1466-1478 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: As recently recognized, distillation columns, operating with reflux and boilup as independent inputs, may have multiple steady-state solutions, even in the ideal binary case. Two fundamentally different sources may cause the multiplicity, and in both cases some operating points are found to be unstable. This article provides evidence for the instability and discusses the effect of operating conditions on stability. Increasing the internal flow rates increases the probability of instability; when flows other than reflux and boilup are used as independent inputs, an operating point may become unstable if the level control is not sufficiently tight. In this case, a limit cycle, usually stable, appears as the steady state goes unstable.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400906
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  • 194
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    Synthesis of nonequilibrium reactive distillation processes by MINLP optimization (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1479-1487 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A mixed integer nonlinear programming (MINLP) model is presented for synthesizing reactive distillation columns when chemical reaction equilibrium cannot be assured. The MINLP minimizes the total annual cost subject to a rigorous tray-by-tray model. The solution of this MINLP yields the optimal number of trays, the optimal feed rates, and the optimal feed tray locations. The liquid holdup per tray, the reflux ratio, and the temperature and composition profiles within the column are optimized as well. The MINLP is solved using generalized Benders decomposition, and the technique is illustrated with ethylene glycol synthesis.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400907
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  • 195
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    Liquid-phase capillary condensation and adsorption isothern (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1549-1557 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A “capillary condensation” in liquid phase was analyzed theoretically and experimentally, in which a solute in solvent could be separated out as a liquid into small pores by capillary effect. The “liquid-phase capillary condensation” is defined as capillary phase separation. The separated phase is counted as “adsorbed” amount on porous materials. The relation between the concentration and a critical radius of the phase separation was derived. A new method to estimate liquid-phase adsorption isotherms of adsorbates with limited solubility from pore-size distribution of solids is based on this concept. The amount absorbed consists of the separated phase and adsorption on surface expressed with a single parameter. While the surface adsorption alone could not explain measured isotherms, this model showed good agreements between experimental and estimated isotherms for adsorption of four kinds of aromatic compounds from aqueous solution onto three categories of porous solids to demonstrate the significance of the capillary phase separation. The applicability of the method to solid solutes is also discussed.
    Additional Material: 10 Ill.
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    URL: http://dx.doi.org/10.1002/aic.690400913
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  • 196
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    A continuous dilution method for phase diagram determination (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1574-1579 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A relatively simple continuous dilution method with on-line spectrophotometric measurement has been used to determine the phase transition boundaries of aqueous two-phase polymer systems. The observed range of compositions over which the phase transition occurs is dominated by the polydispersity of the polymers, but also is a function of the dilution path followed. The binodal curve obtained by the continuous dilution method agrees well with the results obtained by the traditional method of phase equilibration, separation and analysis of liquid chromatography, which is slower and requires more expensive equipment.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690400915
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  • 197
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    Effect of diffusion on heterogeneous ethylene propylene copolymerization (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1669-1684 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: In heterogenous olefin polymerization with Ziegler catalysts, the influence of monomer mass transport in the growing granule on polymer properties has been extensively modeled, but it has not been possible to clearly establish the importance of diffusion experimentally since the multisited nature of most Ziegler catalysts can produce similar effects. In this study, ethylene-propylene copolymers were made with single-sited metallocene catalysts by slurry polymerization in liquid monomers. These copolymers had a relatively narrow molecular weight distribution with a composition distribution (CD) broader than expected for a single-site catalyst. Data analysis indicates that mass-transfer limitations in the polymer particles are the most likely explanation for the observed results. For amorphous copolymers, a diffusion/reaction model could predict CD breadth in good agreement with experimental data, but for semicrystalline polymers the model was inaccurate. We postulate that model inadequacies are due to radial gradients in monomer diffusivity during polymerization which the model does not account for.
    Additional Material: 23 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690401009
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  • 198
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    Masthead (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994) 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690401101
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  • 199
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    Chaotic mixing of shear-thinning fluids (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1782-1793 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: This article investigates the effect of shear-thinning viscosity on chaotic mixing when the kinematics first begin to deviate from Newtonian flow. Computations are done for a 2-D, time-periodic flow between eccentric cylinders. The effectiveness of mixing is analyzed by examining the asymptotic coverage of a passive tracer, character and location of periodic points, and the rate of stretching of fluid elements. Small variations in the velocity field associated with non-Newtonian kinematics produce large effects in the chaotic advection of a passive tracer. The stretching rate remains exponential, but with a long time constant as the shear-thinning effect increases, often resulting in the birth of new periodic islands and a decrease in the asymptotic coverage of the tracer. Exceptions to these observations are possible: both the stretching rate and the asymptotic coverage might increase as shear thinning increases. Results also indicate that suitable manipulation of operating conditions can produce shear-thinning flows which mix as well as Newtonian flows. Since significant effects are observed with less than a 4% difference in the velocity fields, the assumption of Newtonian kinematics can lead to large errors in the design and operation of process mixing equipment for non-Newtonian fluids.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690401103
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  • 200
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    Analysis of capillary-driven viscous flows during the sintering of ceramic powders (1994)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 40 (1994), S. 1794-1803 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Time-dependent viscous flows driven by capillarity act to minimize the surface area of a fluid bounded in a plane geometry with initial gradients in surface curvature. These free-surface flows are solved by a finite-element model applied to describe the viscous sintering of two-dimensional ceramic particles. The numerical model is validated by comparison to the analytical solution obtained by Hopper (1990) for the coalescence of two infinite cylinders of equal cross section and is applied to several other geometries pertinent to the study of particle sintering for which analytical results are not available. Details of the flow fields and morphological evolution lend insight to the physical behavior of these systems and provide a basis for the more complete understanding of viscous sintering phenomena.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690401104
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