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  • Chemistry  (65,585)
  • General Chemistry  (10,936)
  • Cell & Developmental Biology  (4,241)
  • 1980-1984  (36,387)
  • 1970-1974  (28,125)
  • 1940-1944  (5,314)
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  • 1
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 1984-07-20
    Description: The iron-carbon monoxide stretching mode and the iron-carbon-oxygen bending mode in carbon monoxide-bound cytochrome oxidase have been assigned at 520 and 578 cm-1, respectively. The frequencies, widths, and intensities of these modes show that the Fe-C-O grouping in carbon monoxide-cytochrome a3 is linear but tilted from the normal to the heme plane; that the iron-histidine bond in both five- and six-coordinate cytochrome a3 is strained; and that the carbon monoxide and the proximal histidine each have characteristic, well-defined orientations in all molecules. These data can account for the binding affinities of carbon monoxide and dioxygen under physiological conditions.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Argade, P V -- Ching, Y C -- Rousseau, D L -- New York, N.Y. -- Science. 1984 Jul 20;225(4659):329-31.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/6330890" target="_blank"〉PubMed〈/a〉
    Keywords: Animals ; Carbon Monoxide/metabolism ; Cattle ; Chemical Phenomena ; Chemistry ; Electron Transport Complex IV/*metabolism ; Myoglobin/metabolism ; Oxidation-Reduction ; Oxygen/metabolism ; Spectrum Analysis, Raman
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
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  • 2
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 1984-01-20
    Description: Peptide synthesis can be used for elucidating the roles of secondary structures in the specificity of hormones, antigens, and toxins. Intermediate sized peptides with these activities assume amphiphilic secondary structures in the presence of membranes. When models are designed to optimize the amphiphilicity of the secondary structure, stronger interactions can be observed with the synthetic peptides than with the naturally occurring analogs.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Kaiser, E T -- Kezdy, F J -- HL-18577/HL/NHLBI NIH HHS/ -- New York, N.Y. -- Science. 1984 Jan 20;223(4633):249-55.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/6322295" target="_blank"〉PubMed〈/a〉
    Keywords: Amino Acid Sequence ; Apolipoprotein A-I ; Apolipoproteins ; Binding Sites ; Calcitonin ; Chemical Phenomena ; Chemistry ; Corticotropin-Releasing Hormone ; Endorphins ; Glucagon ; Growth Hormone-Releasing Hormone ; *Hormones/pharmacology ; Lipoproteins, HDL ; Melitten ; Models, Structural ; *Peptides/chemical synthesis/metabolism/pharmacology ; Protein Conformation ; Structure-Activity Relationship ; beta-Endorphin
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  • 3
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 1984-10-19
    Description: Fourier transform mass spectrometry will play an important role in the future because of its unique combination of high mass resolution, high upper mass limit, and multichannel advantage. These features have already found application in gas chromatography-mass spectrometry, multiphoton ionization, laser desorption, and secondary ion mass spectrometry. However, its most notable feature is the ability to store ions. This characteristic, when combined with the others, will allow expeditious study of the interaction of gas-phase ions with both photons (photodissociation) and neutral molecules, and the convenient application of this fundamental information for chemical analysis.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Gross, M L -- Rempel, D L -- 2-8423576/PHS HHS/ -- New York, N.Y. -- Science. 1984 Oct 19;226(4672):261-8.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/6385250" target="_blank"〉PubMed〈/a〉
    Keywords: Chemical Phenomena ; Chemistry ; *Fourier Analysis ; Ions ; Lasers ; *Mass Spectrometry/instrumentation/methods
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  • 4
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 1984-08-31
    Description: High-resolution carbon-13 nuclear magnetic resonance (NMR) spectra of enzyme-inhibitor and enzyme-substrate complexes provide detailed structural and stereochemical information on the mechanism of enzyme action. The proteases trypsin and papain are shown to form tetrahedrally coordinated complexes and acyl derivatives with a variety of compounds artificially enriched at the site or sites of interest. These results are compared with the structural information derived from x-ray diffraction. Detailed NMR studies have provided a clearer picture of the ionization state of the residues participating in enzyme-catalyzed processes than other more classical techniques. The dynamics of enzymic catalysis can be observed at sub-zero temperatures by a combination of cryoenzymology and carbon-13 NMR spectroscopy. With these powerful techniques, transient, covalently bound intermediates in enzyme-catalyzed reactions can be detected and their structures rigorously assigned.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Mackenzie, N E -- Malthouse, J P -- Scott, A I -- New York, N.Y. -- Science. 1984 Aug 31;225(4665):883-9.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/6433481" target="_blank"〉PubMed〈/a〉
    Keywords: Binding Sites ; Carbon Isotopes ; Carboxypeptidases/metabolism ; Carboxypeptidases A ; Catalysis ; Chemical Phenomena ; Chemistry ; Coenzymes/*metabolism ; Endopeptidases/metabolism ; Enzymes/*metabolism ; Freezing ; Fructose-Bisphosphate Aldolase/metabolism ; Magnetic Resonance Spectroscopy ; Papain/metabolism ; Pepsin A/metabolism ; Peptide Hydrolases/*metabolism ; Protease Inhibitors ; Pterins/metabolism ; Pyridoxal Phosphate/metabolism ; Serine Endopeptidases
    Print ISSN: 0036-8075
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  • 5
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 1984-03-09
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Maugh, T H 2nd -- New York, N.Y. -- Science. 1984 Mar 9;223(4640):1051-2.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/6695193" target="_blank"〉PubMed〈/a〉
    Keywords: *Air Pollutants ; *Atmosphere ; Carbon Tetrachloride ; Chemical Phenomena ; Chemistry ; *Chlorofluorocarbons, Methane ; Free Radicals ; Nitrogen Dioxide ; Nitrous Oxide ; Oxygen ; *Ozone ; Photochemistry ; Risk ; Singlet Oxygen ; Trichloroethanes ; Ultraviolet Rays
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  • 6
    Publication Date: 1984-10-19
    Description: Pyrolysis mass spectrometry in combination with computerized multivariate statistical analysis enables qualitative and quantitative analysis of nonvolatile organic materials containing molecular assemblies of a complexity and size far beyond the capabilities of direct mass spectrometry. The state of the art in pyrolysis mass spectrometry techniques is illustrated through specific applications, including structural determination and quality control of synthetic polymers, quantitative analysis of polymer mixtures, classification and structural characterization of fossil organic matter, and nonsupervised numerical extraction of component patterns from complex biological samples.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Meuzelaar, H L -- Windig, W -- Harper, A M -- Huff, S M -- McClennen, W H -- Richards, J M -- New York, N.Y. -- Science. 1984 Oct 19;226(4672):268-74.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/6484572" target="_blank"〉PubMed〈/a〉
    Keywords: Biochemical Phenomena ; Biochemistry ; Chemical Phenomena ; Chemistry ; Coal ; Enterobacteriaceae/analysis/isolation & purification ; Hot Temperature ; Mass Spectrometry/*methods ; Polymers
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  • 7
    Publication Date: 1984-08-31
    Description: The splicing of messenger RNA precursors in vitro proceeds through an intermediate that has the 5' end of the intervening sequence joined to a site near the 3' splice site. This lariat structure, which has been characterized for an adenovirus 2 major late transcript, has a branch point, with 2'-5' and 3'-5' phosphodiester bonds emanating from a single adenosine residue. The excised intervening sequence retains the branch site and terminates in a guanosine residue with a 3' hydroxyl group. The phosphate group at the splice junction between the two exons originates from the 3' splice site at the precursor.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Padgett, R A -- Konarska, M M -- Grabowski, P J -- Hardy, S F -- Sharp, P A -- P01-CA14051/CA/NCI NIH HHS/ -- P01-CA26717/CA/NCI NIH HHS/ -- R01-GM32467/GM/NIGMS NIH HHS/ -- New York, N.Y. -- Science. 1984 Aug 31;225(4665):898-903.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/6206566" target="_blank"〉PubMed〈/a〉
    Keywords: Adenoviruses, Human/metabolism ; Base Sequence ; Chemical Phenomena ; Chemistry ; Nucleic Acid Conformation ; Nucleic Acid Precursors/analysis/*metabolism ; Oligoribonucleotides/metabolism ; Phosphates/metabolism ; RNA/analysis/*metabolism ; RNA Precursors ; *RNA Splicing ; RNA, Messenger/analysis/*metabolism ; RNA, Viral/analysis/*metabolism
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  • 8
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 1984-05-11
    Description: The mechanism of lipid peroxidation and the manner in which antioxidants function is reviewed. beta-Carotene is a purported anticancer agent, which is believed by some to have antioxidant action of a radical-trapping type. However, definitive experimental support for such action has been lacking. New experiments in vitro show that beta-carotene belongs to a previously unknown class of biological antioxidants. Specifically, it exhibits good radical-trapping antioxidant behavior only at partial pressures of oxygen significantly less than 150 torr, the pressure of oxygen in normal air. Such low oxygen partial pressures are found in most tissues under physiological conditions. At higher oxygen pressures, beta-carotene loses its antioxidant activity and shows an autocatalytic, prooxidant effect, particularly at relatively high concentrations. Similar oxygen-pressure-dependent behavior may be shown by other compounds containing many conjugated double bonds.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Burton, G W -- Ingold, K U -- New York, N.Y. -- Science. 1984 May 11;224(4649):569-73.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/6710156" target="_blank"〉PubMed〈/a〉
    Keywords: Antioxidants/*metabolism ; Carotenoids/*metabolism ; Chemical Phenomena ; Chemistry ; Free Radicals ; Humans ; Linoleic Acids/metabolism ; *Lipid Metabolism ; Oxidation-Reduction ; Oxygen/metabolism ; Partial Pressure ; Peroxides/metabolism ; Tetrahydronaphthalenes/metabolism ; beta Carotene
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  • 9
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 1984-03-16
    Description: Yeast phenylalanine transfer RNA was subjected to a 12-picosecond molecular dynamics simulation. The principal features of the x-ray crystallographic analysis are reproduced, and the amplitudes of atomic displacements appear to be determined by the degree of exposure of the atoms. An analysis of the hydrogen bonds shows a correlation between the average length of a bond and the fluctuation in that length and reveals a rocking motion of bases in Watson-Crick guanine X cytosine base pairs. The in-plane motions of the bases are generally of larger amplitude than the out-of-plane motions, and there are correlations in the motions of adjacent bases.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Harvey, S C -- Prabhakaran, M -- Mao, B -- McCammon, J A -- New York, N.Y. -- Science. 1984 Mar 16;223(4641):1189-91.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/6560785" target="_blank"〉PubMed〈/a〉
    Keywords: Chemical Phenomena ; Chemistry ; Computers ; Cytosine ; Guanine ; Hydrogen Bonding ; Nucleic Acid Conformation ; *RNA, Fungal ; *RNA, Transfer, Amino Acyl ; Yeasts/analysis
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  • 10
    Publication Date: 1984-11-16
    Description: Sequence-dependent variations in DNA revealed by x-ray crystallographic studies have suggested that certain DNA-reactive drugs may react preferentially with defined sequences in DNA. Drugs that wind around the helix and reside within one of the grooves of DNA have perhaps the greatest chance of recognizing sequence-dependent features of DNA. The antitumor antibiotic CC-1065 covalently binds through N-3 of adenine and resides within the minor groove of DNA. This drug overlaps with five base pairs for which a high sequence specificity exists.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Hurley, L H -- Reynolds, V L -- Swenson, D H -- Petzold, G L -- Scahill, T A -- New York, N.Y. -- Science. 1984 Nov 16;226(4676):843-4.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/6494915" target="_blank"〉PubMed〈/a〉
    Keywords: Antibiotics, Antineoplastic/*metabolism ; *Base Sequence ; Binding Sites ; Chemical Phenomena ; Chemistry ; DNA/*metabolism ; *Indoles ; Leucomycins/*metabolism ; Molecular Conformation ; X-Ray Diffraction
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  • 11
    Publication Date: 1984-06-15
    Description: A new class of synthetic antifungal agents, the allylamines , has been developed by modification of naftifine , a topical antimycotic. SF 86-327, the most effective of these compounds so far, is highly active in vitro against a wide range of fungi and exceeds clinical standards in the oral and topical treatment of guinea pig dermatophytoses. SF 86-327 is a powerful specific inhibitor of fungal squalene epoxidase, a key enzyme in sterol biosynthesis.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Petranyi, G -- Ryder, N S -- Stutz, A -- New York, N.Y. -- Science. 1984 Jun 15;224(4654):1239-41.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/6547247" target="_blank"〉PubMed〈/a〉
    Keywords: Allylamine/analogs & derivatives/*chemical synthesis/pharmacology ; Amines/*chemical synthesis ; Animals ; Antifungal Agents/*chemical synthesis/pharmacology ; Chemical Phenomena ; Chemistry ; Dermatomycoses/drug therapy ; Fungi/*drug effects/enzymology ; Guinea Pigs ; Naphthalenes/chemical synthesis/pharmacology ; Oxygenases/*antagonists & inhibitors ; Squalene Monooxygenase
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  • 12
    Publication Date: 1984-11-02
    Description: By recombinant DNA techniques, a disulfide bond was introduced at a specific site in T4 lysozyme, a disulfide-free enzyme. This derivative retained full enzymatic activity and was more stable toward thermal inactivation than the wild-type protein. The derivative, T4 lysozyme (Ile3----Cys), was prepared by substituting a Cys codon for an Ile codon at position 3 in the cloned lysozyme gene by means of oligonucleotide-dependent, site-directed mutagenesis. The new gene was expressed in Escherichia coli under control of the (trp-lac) hybrid tac promoter, and the protein was purified. Mild oxidation generated a disulfide bond between the new Cys3 and Cys97, one of the two unpaired cysteines of the native molecule. Oxidized T4 lysozyme (Ile3----Cys) exhibited specific activity identical to that of the wild-type enzyme when measured at 20 degrees C in a cell-clearing assay. The cross-linked protein was more stable than the wild type during incubation at elevated temperatures as determined by recovered enzymatic activity at 20 degrees C.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Perry, L J -- Wetzel, R -- New York, N.Y. -- Science. 1984 Nov 2;226(4674):555-7.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/6387910" target="_blank"〉PubMed〈/a〉
    Keywords: Chemical Phenomena ; Chemistry ; DNA, Recombinant/metabolism ; Escherichia coli/enzymology ; *Genetic Engineering ; Kinetics ; Muramidase/*genetics/metabolism ; Protein Denaturation
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  • 13
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    American Association for the Advancement of Science (AAAS)
    Publication Date: 1984-06-08
    Description: The effect of a partial pressure of nitrogen of 50 atmospheres (5065 kilopascals ) on the hydrogen evolution reaction of nitrogenase has been investigated. Evolution of hydrogen was not blocked completely by 50 atmospheres of nitrogen in any of four experiments; rather, 27.3 +/- 2.4 percent of the total electron flux through nitrogenase was directed toward production of hydrogen. The ratio of hydrogen evolved to nitrogen fixed was close to 1:1, which implies that hydrogen evolution is obligatory in the fixation of molecular nitrogen by nitrogenase.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Simpson, F B -- Burris, R H -- AI-00848/AI/NIAID NIH HHS/ -- New York, N.Y. -- Science. 1984 Jun 8;224(4653):1095-7.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/6585956" target="_blank"〉PubMed〈/a〉
    Keywords: Chemical Phenomena ; Chemistry ; *Hydrogen ; *Nitrogen ; Nitrogen Fixation ; *Nitrogenase ; Partial Pressure
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  • 14
    Publication Date: 1984-05-25
    Description: Polypeptide analogs of the known members of the corticotropin-releasing factor (CRF) family were synthesized and tested in vitro and in vivo for enhanced potency or competitive antagonism. Predictive methods and physicochemical measurements had suggested an internal secondary alpha-helical conformation spanning about 25 residues for at least three members of the CRF family. Maximization of alpha-helix-forming potential by amino acid substitutions from the native known sequences (rat/human and ovine CRF, sauvagine, and carp and sucker urotensin 1) led to the synthesis of an analog that was found to be more than twice as potent as either of the parent peptides in vitro. In contrast, certain amino-terminally shortened fragments, such as alpha-helical CRF or ovine CRF residues 8 to 41, 9 to 41, and 10 to 41, were found to be competitive inhibitors in vitro. Selected antagonists were examined and also found to be active in vivo.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Rivier, J -- Rivier, C -- Vale, W -- AA03504/AA/NIAAA NIH HHS/ -- AM20917/AM/NIADDK NIH HHS/ -- AM26741/AM/NIADDK NIH HHS/ -- etc. -- New York, N.Y. -- Science. 1984 May 25;224(4651):889-91.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/6326264" target="_blank"〉PubMed〈/a〉
    Keywords: Adrenocorticotropic Hormone/secretion ; Animals ; Binding, Competitive ; Chemical Phenomena ; Chemistry ; Corticotropin-Releasing Hormone/*antagonists & inhibitors ; Rats
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  • 15
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 30 (1984), S. 1-7 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Kinetics of hydration of propylene oxide using an ion-exchange resin catalyst in a slurry reactor was studied. The kinetics of homogeneous, uncatalyzed reaction was studied separately and used to obtain heterogeneous reaction kinetics. The homogeneous reaction was found to be 0.43 order with respect to propylene oxide concentration. The heterogeneous reaction was found to have intraparticle diffusional resistance under certain conditions. The intrinsic kinetic parameters and effective diffusivity were obtained from these data. The heterogeneous reaction was found to be 0.55 order with respect to propylene oxide concentration. The activation energies obtained for homogeneous and heterogeneous reactions were 51.5 and 53.4 kJ/mol, respectively. A theoretical model incorporating all the mass transfer resistances has been proposed.
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  • 16
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 30 (1984), S. 21-29 
    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 heterogeneous model is developed to account for noncatalytic gas-solid reactions in a vertical pneumatic transport reactor. The model takes into consideration both the positive and negative variations of the solid porosity and the variation of the gas diffusivity with the reaction. The method of lines utilizing the second order centered finite difference scheme for the spatial discretization is employed to obtain the model solution.Experiments utilizing a vertical pneumatic transport reactor of a laboratory scale are performed to study the reaction between limestone and sulfur dioxide generated from coal combustion. The reactor is of 16.2 cm ID and 610 cm in length. The experimental data for sulfur retention are reported for various superficial gas velocities and calcium-sulfur molar ratios. Verification of the model with experimental data is conducted. The agreement between the model prediction and experimental data is satisfactory.
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  • 17
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 30 (1984), S. 44-50 
    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 performance of spherical catalyst pellets with radially nonuniform distributions of activity is simulated under parallel reaction networks closely resembling hydrocarbon oxidation reactions. Both reaction paths are assumed to be exothermic with the desired path exhibiting lower activation energy requirements than the undesired one. It is shown that nonuniform activity distributions enhance effectiveness and selectivity over a large range of values of the Thiele modulus. Multiple steady states in effectiveness and selectivity are observed for certain values of the heat of reaction parameter.
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  • 18
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 30 (1984), S. 62-69 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Hydrogen sulfide is oxidized to elemental sulfur by ferric ion chelated with nitrilotriacetic acid (NTA) in aqueous solution at pH 3.5 to 4.5. The reaction appears to be fast relative to gas- and liquid-phase diffusion, and the transfer of H2S from a gas stream is correlated well by the theory of absorption with instantaneous chemical reaction. The ferrous ion formed in this reaction may be reoxidized with oxygen absorbed from a stream of air. The presence of NTA catalyzes the reaction of O2 and Fe2+ in the same pH range, and diffusion is again controlling. Design calculations based on laboratory data for both absorption steps show that cocurrent gas-liquid contactors are advantageous for achieving high reaction rates (e.g., ∼99.99% H2S removal), high gas velocities (10 to 20 m/s), low pressure drops [1 to 3 kPa (10 to 30 cm H2O)], and moderate column heights (10 to 15 m).
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  • 19
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 30 (1984), S. 92-99 
    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 method for decomposing irreducible subsets, in the solution of systems of nonlinear algebraic equations, is presented. This method consists of two steps: (1) elimination of the nonlinearity from some of the equations by replacing nonlinear expressions by new variables; and (2) formulation of a problem of smaller dimension by tearing the linear subset of equations. It is shown that these modifications do not change considerably the convergence rate of the Newton-Raphson and Broyden's methods while reducing the problem's dimension. Computer time reduction up to 80% is demonstrated in the examples solved. An algorithm for elimination of nonlinear expressions, which uses Boolean matrices instead of formula manipulation, is also presented.
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  • 20
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 30 (1984), S. 120-127 
    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 5-cm-diameter reciprocating plate extraction column has been operated in cocurrent flow. The pressure drop for water flow, and the local and average mass transfer products for the system acetic acid/kerosene/aqueous sodium hydroxide have been measured. Under well-agitated conditions, the mass average transfer product is predictable by a model, which is also applicable to data reported earlier by Karr for a 2.54-cm-diameter column.
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  • 21
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 30 (1984), S. 151-155 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
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    Notes: Moment analysis is a powerful tool in reactor bed analysis. Weighted moments is a technique which has been introduced to increase the accuracy of moment estimation. The supposed advantage of weighted moments is reevaluated utilizing an optimum truncation point. The resulting coefficient of variation in the moment estimates is shown to be superior to an arbitrary truncation point for all weighting factors. When an optimum truncation point is used, little advantage is observed for weighted moments.
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    AIChE Journal 30 (1984), S. 169-171 
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    AIChE Journal 30 (1984), S. 172-173 
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    AIChE Journal 30 (1984), S. 15-20 
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    Keywords: Chemistry ; Chemical Engineering
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    Notes: Calculations for nonequilibrium stages were systematized via material balances for multicomponent mixing, which is applicable in the absence of sorption.The resulting treatment is quite complex with unequal stages but much simpler when the stages are equal. It allows solving complex solid/liquid washing problems from experimental simple washing data obtained with solute-free wash liquor.
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    AIChE Journal 30 (1984), S. 37-44 
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    Notes: The bubble formation process at small, single, circular orifices at low gas flow rates is modified when the system is vertically vibrated in a sinusoidal fashion.For systems with significant gas chamber volume, bubble volume in the vibrated case is smaller than in the nonvibrated case. The vibrations increase the amount of liquid weeping through the orifice into the gas chamber. A simple inviscid model adequately predicts bubble formation in the medium-chamber-volume region at low values of amplitude and frequency of vibration and low viscosities. The boundaries of the transition from the FR ≫ 1 to the FR = 1 regions are described in terms of “the acceleration number/Eötvös number”.
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    AIChE Journal 30 (1984), S. 56-62 
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    Keywords: Chemistry ; Chemical Engineering
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    Notes: Rate studies are reported of the effect of rehydration-dehydration cycling on the vapor hydration behavior of solid K2CO3. Isothermal rate data were obtained at different temperatures and water vapor pressures for the reaction of narrowlysized anhydrous particles. Effects of different particle preparation histories on the rehydration rate were investigated and correlations of rate with particle pore structure explored. Rehydration rates of dehydrated K2CO3·3/2H2O were found to depend on the conditions of the prior dehydration. Rehydration is comparatively very slow at relative pressures below P/Peq ≃ 1.5; rates increase linearly with pressure above P/Peq ≃ 3. Hydration rates of K2CO3 particles obtained as anhydrous are substantially slower than those of identically-sized crystals produced by prior dehydration of K2CO3·3/2H2O; after one rehydration-dehydration cycle, rehydration rates are increased by as much as two orders of magnitude and this distinction between sources virtually disappears. Diffusional resistances based on calculated water vapor diffusivities are qualitatively consistent with the observed effects of cycling but do not by themselves account fully for the observations.
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    AIChE Journal 30 (1984), S. 79-92 
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    Notes: A mathematical model has been developed to simulate the Texaco downflow entrained-bed pilot-plant gasifier using coal liquefaction residues and coal-water slurries as feedstocks. This model describes the physical and chemical processes occurring in an entrained coal gasifier. The gasification kinetics describes different complex reactions occurring in the gasifier and the hydrodynamics describes mass, momentum and energy balances for solid and gas phases. Temperature, concentration and velocity profiles along the reactor height were obtained by solving the mass, momentum and energy balances. Parameter studies were made to provide a better understanding of the reactor performance for various inlet feed conditions utilizing the model.
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    AIChE Journal 30 (1984), S. 111-120 
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    Notes: Polymeric solutes in jet fuel can serve to increase greatly the droplet size and reduce flammability in fuel sprays created by high-velocity wind shear. Photographic and spark-ignition studies show that high molecular weight polyisobutylenes can be effective at levels below 100 ppm, where they cause only slight increases in fuel viscosity. The effectiveness of the polymers increases with molecular weight and is very well correlated by the elongational viscosity of the solution, as measured by the ductless siphon height.
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    AIChE Journal 30 (1984), S. 137-142 
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    Notes: Currently available group-contribution methods for Tc, Pc, and Vc were evaluated using the Ambrose (1980) critical property data compilation. The Ambrose estimation methods were found to be the most accurate. Linear regression methods were also employed to develop alternate estimation methods which were found to have an accuracy comparable to those of Ambrose.
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    AIChE Journal 30 (1984), S. 156-168 
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    Notes: A method is proposed for calculating aerosol collection in fluidized filter beds. The method employs the bubble assembly model of fluidization and considers the bed to be a series of compartments, each of which comprises two or three phases. Aerosol collection is assumed to occur in these phases in accordance with existing theories of particle deposition. The validity of the method is tested against available experimental data.
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    AIChE Journal 30 (1984), S. 288-294 
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    Notes: The hydrodynamic behavior of a cocurrent gas-liquid-solid semifluidized bed was investigated. A separate investigation was performed on a packed bed and a fluidized bed under gas-liquid flow conditions similar to that for the semifluidized bed. Parameters of the semifluidized bed under extensive study include pressure drop, gas holdup, onset liquid velocity for semifluidization, and the height of the packed bed section and the fluidized section. The pressure drop of the semi-fluidized bed obtained experimentally was compared favorably with that predicted by the model equations.
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    AIChE Journal 30 (1984), S. 513-517 
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    AIChE Journal 30 (1984), S. 520-522 
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    AIChE Journal 30 (1984), S. 517-519 
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    AIChE Journal 30 (1984), S. 522-525 
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    AIChE Journal 30 (1984), S. 528-528 
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    AIChE Journal 30 (1984), S. 526-528 
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    AIChE Journal 30 (1984) 
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    AIChE Journal 30 (1984), S. 529-536 
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    Notes: A hydrodynamic model of fluidization was developed that computes void fractions, pressure and solid and gas velocities in cylindrical fluidized beds. Cmputed time-averaged gas velocity distributions of a jet compared well with Westinghouse experimental data without the use of any fitted parameters. The main empirical input was a drag correlation from the literature.
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    AIChE Journal 30 (1984), S. 341-345 
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    AIChE Journal 30 (1984), S. 350-350 
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    AIChE Journal 30 (1984), S. 351-352 
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    AIChE Journal 30 (1984), S. 363-368 
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    Notes: Flatter velocity profiles and more uniform thermal environents are extremely desirous factors for improved performance in flow reactors and heat exchangers. One means of achieving this in laminar flow systems is to use mixers and flow inverters. These improve performance but at higher initial and operating costs. This paper introduces a new and more effective device for flow inversion which is achieved by changing the direction of centrifugal force in helically-coiled tubes. Transient response experiments carried out under the conditions of both negligible and significant molecular diffusion reveal drastic narrowing of the residence time distribution (RTD). The effectiveness of the present device can be assessed by the fact that even at a Dean number of 3 the value of dispersion number as low as 0.0013 is obtained under the condition of significant diffusion, and in the case of negligible diffusion the value of dimensionless time at which the first element of tracer appears at the outlet is as high as 0.85.
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    AIChE Journal 30 (1984), S. 346-349 
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    AIChE Journal 30 (1984), S. 353-362 
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    Notes: The process of gas absorption in freely falling films of dilute polymer solutions under different kinematic conditions shows some hitherto unreported and dramatic differences. The absorption rates are reduced when films are generated under rapid stretch conditions over axisymmetric bodies of revolution, whereas they are enhanced when films are generated in a long, wetted wall column. Absorption rates are enhanced on polymer addition in freely falling turbulent films. Possible mechanistic explanations have been offered for these phenomena.
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    AIChE Journal 30 (1984), S. 377-385 
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    Notes: A two-dimensional model for stratified turbulent-turbulent gas-liquid flow in inclined pipes is proposed. The gas phase is treated as bulk flow, but an exact solution is carried out for the liquid phase, applying the eddy viscosity theory to model the turbulent viscosity. The interfacial structure is taken into consideration using appropriate correlations for the interfacial shear stress. The model is capable of predicting the liquid velocity field, holdup and pressure drop given gas and liquid flow rates, physical properties, pipe size, and angle of inclination. The results are substantially better than the prediction of Lockhart and Martinelli (1949) correlation and better than the Taitel and Dukler (1976) model for stratified flow.
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    AIChE Journal 30 (1984), S. 401-408 
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    Notes: By the use of a perfectly mixed model and an imperfectly mixed one for lowdensity polyethylene vessel reactors, we show that increases in the initiator consumption with polymerization temperature are due to mixing limitations at the initiator feed. With all its parameters independently estimated, the imperfectly mixed model provides an excellent agreement with experimental data for several initiators, feed flow rates and polymerization pressures. In the temperature region of industrial interest for each type of initiator, the open-loop reactor dynamics drastically change from open-loop unstable, at low temperatures, to open-loop stable at high polymerization temperatures.
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    AIChE Journal 30 (1984), S. 350-350 
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    AIChE Journal 30 (1984), S. 578-582 
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    Notes: We have successfully used cross-linked, partially-hydrolyzed, polyacrylamide gels to concentrate solutions of high molecular weight solutes. The gels are sizeselective, concentrating solutes whose diameter exceeds 3 nm. They can be easily regenerated by means of pH-induced changes in gel swelling; this regeneration is consistent with that inferred from existing theories of gel swelling. The resulting separation process is a good alternative to ultrafiltration.
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    AIChE Journal 30 (1984), S. 494-496 
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    AIChE Journal 30 (1984), S. 502-504 
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    AIChE Journal 30 (1984), S. 583-593 
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    Notes: A simple particle model is used to interpret differential thermogravimetric data taken on the gasification of coal/char with CO2, H2 and H2O. The model takes into account the major physical factors which influence the gasification rate, viz., the changing magnitudes of surface area, porosity, activation energy and effective diffusivity during gasification. Specific reaction rate constants based on surface area and activation energies are extracted from the data. Practical criteria for regimes of reaction rate and diffusion control and for particle isothermality are developed. For isothermal particles at low classical Thiele moduli, the data can be correlated with only one parameter, which has a simple physical interpretation.
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    AIChE Journal 30 (1984), S. 415-422 
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    Notes: A comprehensive mathematical model for the finishing stages of polyethylene terephthalate (PET) synthesis is developed. The model takes into account the variables which have significant influences on polymerization but have not been hitherto taken into account, e.g., changing interfacial concentration and the presence of side reactions. The model is applicable to industrial polymerizations, and the predictions agree well with the literature and with certain pilot-plant and commercial data.
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    AIChE Journal 30 (1984), S. 500-502 
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    AIChE Journal 30 (1984), S. 507-509 
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    AIChE Journal 30 (1984), S. 609-622 
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    Notes: A new method for expressing the structure of a system of equations is developed using a type of occurrence matrix entitled the functionality matrix. The functionality matrix indicates not only the occurrence of variables in equations but also the functional form in which they occur. Since the difficulty of solving an equation for a variable is related to its functional form, analysis of the functionality matrix provides explicit information on the difficulty of solution of the solution of the equation.A methodology for the solution of design problems by digital computers is described. This methodology operates on the functionality matrix which describes the set of design equations. Algorithms using this methodology interact and guide the designer in an efficient selection of design variables and redundant equations. Once design variables and redundant equations are selected, a computational method is presented for ordering and solving the equations.
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    AIChE Journal 30 (1984), S. 631-636 
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    Notes: A single polystyrene sphere of radius a, between 141 and 275 micron, when in jected into a disk-plate (torsional) flow of polybutene (viscosity 36 poise, Mn ∼680), migrates radially inward at a rate that is dramatically increased by dissolving 1% of a high-molecular-weight polyisobutylene (Mv ∼106) to make the fluid viscoelastic. The torsional flow field was created by rotating a 21-cm-diameter disk at a rate ω of 6-9 rpm with a gap H of 3.7-5.4 mm between this and a ground glass plate with the fluid in the gap. Lateral migration toward a lower shear rate increased with increasing shear rate and with increasing shear rate gradient in the manner predicted by Brunn (1976) or Chan and Leal (1977). Shear rates up to 25 s-1 were investigated. Below a shear rate of 8 s-1 the radial migration velocity is of the form vr = - L(ωa/H)2r, where L is a positive constant containing the fluid properties, and r is the radial position of the particle.
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    AIChE Journal 30 (1984), S. 622-630 
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    Notes: When a small drop or bubble is driven through a liquid phase to a fluid-fluid interface, a thin liquid film which forms between them drains, until an instability forms and coalescence occurs. Lin and Slattery (1982b) developed a hydrodynamic theory for the first portion of this coalescence process: the drainage of the thin liquid film which occurs while it is sufficiently thick that the effects of London-van der Waals forces and electrostatic forces can be ignored. Here we extend their theory to include the effects of the London-van der Waals forces. To simplify the analysis, we follow the suggestion of Buevich and Lipkina (1975, 1978) in developing an expression for the rate of thinning at the rim or barrier ring of the draining film. A linear stability analysis permits us to determie the coalescence time or the elapsed time between the formation of a dimpled film and its rupture at the rim.For comparison, this same linear stability analysis is applied to the thinning equations developed by MacKay and Mason (1963) for the plane parallel disc model and by Hodgson and Woods (1969) for the cylindrical drop model.For all three models, our linear stability estimate for the coalescence time tc is in better agreement with the available experimental data than is the elapsed time t∞ between the formation of a dimpled film and its drainage to zero thickness at the rim in the absence of instabilities.
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    AIChE Journal 30 (1984), S. 637-638 
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    AIChE Journal 30 (1984), S. 639-641 
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    Keywords: Chemistry ; Chemical Engineering
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    AIChE Journal 30 (1984), S. 641-642 
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    AIChE Journal 30 (1984), S. 646-648 
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    AIChE Journal 30 (1984), S. 649-653 
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    AIChE Journal 30 (1984), S. 654-657 
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    AIChE Journal 30 (1984), S. 657-660 
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    AIChE Journal 30 (1984), S. 660-662 
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    AIChE Journal 30 (1984), S. 666-669 
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    AIChE Journal 30 (1984), S. 669-672 
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    AIChE Journal 30 (1984), S. 672-676 
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    AIChE Journal 30 (1984), S. 676-679 
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    AIChE Journal 30 (1984), S. 688-691 
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    AIChE Journal 30 (1984), S. 692-697 
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    Notes: An analytical solution for a two resistance mass transfer model explaining the adsorption of Astrazone Blue dye (Basic Blue 69) onto Sorbsil silica has been developed. The model includes a film mass transfer coefficient, kf1 = 80 × 10-6cm·s-1, and an internal effective diffusivity, Deff = 18×10-9cm2·s-1 which controls the internal mass transport processes based on a pore diffusion mechanism.
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    AIChE Journal 30 (1984), S. 697-699 
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    AIChE Journal 30 (1984), S. 700-701 
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    AIChE Journal 30 (1984) 
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    AIChE Journal 30 (1984), S. 702-703 
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    AIChE Journal 30 (1984), S. 705-710 
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    Notes: Preparative, multicomponent liquid chromatographic separations have been achieved by using a slowly rotating annular sorbent bed with fixed multiple feed points and fixed product withdrawal locations. The cation exchange separation of copper, nickel, and two cobalt complexes has been extensively used to study the effects of rotation rate, eluent rate, bed loading, and column size on separation performance. Experimental results have been compared with three theoretical models: plate theory, an analytical solution which incorporates multicomponent Langmuir isotherms, and an extension of the analytical solution to include dispersion effects.
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    AIChE Journal 30 (1984), S. 710-717 
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    Notes: Mass transfer coefficients for the growth and the dissolution of potassium alum and sodium thiosulfate in a laboratory-scale fluidized-bed apparatus were determined and correlated in a form of the Frössling equation. The surface reaction rate for potassium alum was found to be dependent onthe crystal size.
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    AIChE Journal 30 (1984), S. 717-724 
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    Notes: This paper demonstrates how a recently developed observer for time delay systems may be used to estimate needed state variables for implementation of multivariable time delay compensation. The general results are illustrated by an example of a multireactor plant in which only one reactor concentration can be measured. The observer worked well in simulation for both multivarible PID control and multidelay compensated PID control and allowed both schemes to function with estimated state variables in the feedback loop.
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    AIChE Journal 30 (1984), S. 747-757 
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    Notes: Pirt's model for microbial growth and product formation are reparameterized to obtain multiresponse models with common parameters. The dependent variables in the models are related through the available electron and carbon balance constraints. Covariance adjustment is used to reduce the growth model to a unit variate linear model with covariates. Therefore, standard multiple regression programs can be used to obtain combined point and interval estimates of true biomass energetic yield, true product yield and maintenance coefficient. This approach may yield “better” estimates than the maximum likelihood approach when an appropriately selected subset of covariates is used. Nonlinear estimation procedures are also considered; these procedures are efficient with few responses; however, as the number of responses per observation increase, they may require a lot of computing time. For illustration several data from the biochemical engineering literature are analyzed by the proposed methods.
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    Notes: The diffusion-reaction film model proposed by Andrews and Tien (1981) for the interaction between adsorption and bacterial activities in carbon columns was generalized. The microbial film was assumed to be composed of two regions of distinctively different microbial activity, depending on the presence or absence of dissolved oxygen. Governing equations were derived to describe the dynamics of the carbon columns in which the interaction between adsorption and bacterial growth and methods for solving these equations were developed.
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    Notes: Experiments were conducted on the degradation of valeric acid in aqueous solutions by bacteria in attached growth and on the removal of valeric acid from aqueous solutions in granular activated carbon columns. The first type of experiment was intended to obtain results necessary to determine the values of the relevant parameter of biofilm kinetics. These parameters were then used in conjunction with the model developed in Part I to predict the performance of carbon columns for removing valeric acid. Comparisons between experiments and predictions constitute the necessary model validation.
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    AIChE Journal 30 (1984), S. 842-845 
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    AIChE Journal 30 (1984), S. 845-849 
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    AIChE Journal 30 (1984), S. 849-853 
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    AIChE Journal 30 (1984), S. 853-856 
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    AIChE Journal 30 (1984), S. 865-867 
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    AIChE Journal 30 (1984), S. 867-871 
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    AIChE Journal 30 (1984), S. 974-976 
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    AIChE Journal 30 (1984), S. 967-973 
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    Notes: A general equation is derived that predicts the evolution of pore volume distribution during isothermal gasification in the regime of kinetic control, starting from a given initial condition. The development takes into account pore enlargement as well as pore intersections. Equations are also derived for the special cases of (1) uniform pore size and (2) bimodal distribution. The results are used to interpret the experimental data of Tomkow et al. (1977) and Kawahata and Walker (1962).
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    Notes: This paper reports on the operating characteristics of the collar type MVS which uses either orifice plates or screens as supports for the solids.The optimum placement for the support (screens or orifice plates), the current needed to operate the valve as a function of vessel size (up to 0.55 m) and screen or orifice opening, and the response characteristics of the valve were all determined. These findings were then compared with theory.Finally, the operational characteristics of the MVS (magnetic valve for solids) when handling a mixture of magnetic and nonmagnetic solids were briefly examined.
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    AIChE Journal 30 (1984), S. 977-980 
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    AIChE Journal 30 (1984), S. 986-988 
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    AIChE Journal 30 (1984), S. 1034-1035 
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