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  • 1995-1999  (762)
  • 1985-1989
  • 1996  (762)
  • Chemical Engineering  (437)
  • Theoretical, Physical and Computational Chemistry  (294)
  • Genetics
  • 1
    ISSN: 1530-0358
    Keywords: Colorectal neoplasms ; Genetics ; K-ras ; Gene mutations ; Early diagnosis ; Polymerase chain reaction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Purpose: Best chances of a cure from colorectal cancer are obtained before metastatic spread. Lack of specific tests allowing early diagnosis of the tumor accounts for investigation of gene alterations involved in carcinogenesis by a noninvasive method. In the present study, K-ras codons 12 and 13 mutations were studied in neoplastic cells shed from the bowel into the stool and those contained in the tumor and normal mucosa. Moreover, healthy patients and a few others with precancerous conditions were examined. METHODS: Stool, tumor, and mucosa samples were taken from 25 patients with colorectal adenocarcinoma. Stool and mucosa samples were obtained from 11 healthy patients, and stool, pathologic bowel tissue, and normal mucosa samples were obtained from 3 patients with adenoma (1) or ulcerative colitis (2). Polymerase chain reaction amplification and restriction enzyme analysis were performed. RESULTS: K-ras codon 12 mutations were detected in both tumor and stool samples of 10 cancer patients, and no gene alterations were observed in 14 patients. In one patient with a tumor, a mutation was shown in only the tumor tissue. The agreement rate in tumor and stool analysis was 96 percent. A normal pattern of K-ras codons 12 and 13 was observed in the bowel mucosa. All stool and mucosa samples from healthy patients were not altered in K-ras.Agreement was registered between samples taken from patients with preneoplastic lesions. CONCLUSIONS: These preliminary findings show a high rate of accuracy in the investigation of K-ras alterations in the colorectal cells shed into the feces, suggesting that such an approach could be used to study other gene alterations and, prospectively, to identify early colorectal cancers.
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  • 2
    ISSN: 1437-160X
    Keywords: SLE ; Apoptosis ; bcl-2 gene ; Susceptibility ; Linkage ; Genetics
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Systemic lupus erythematosus (SLE) is an autoimmune disease characterised by the production of a large number of autoantibodies. It has been postulated that this may be the result of prolonged longevity of auto-reactive B cells due to defective regulation of programmed cell death (apoptosis). The proto-oncogenebcl-2 is involved in the control of apoptosis in immunocompetent cells, and its over-expression is noted in T and B cells from SLE patients. This study examined the genetic linkage between thebcl-2 gene locus and SLE susceptibility using the affected sib-pair method in SLE families. Seventeen caucasian multiplex families were evaluated. A polymorphic microsatellite marker closely linked to thebcl-2 gene on 18g21.3 was used to determine thebcl-2 genotype. We demonstrated that haplotype sharing among the affected sibling pairs was not statistically different from random (P〉0.5). This suggests that thebcl-2 gene locus does not confer a genetic susceptibility to SLE expression.
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Journal of molecular medicine 74 (1996), S. 515-521 
    ISSN: 1432-1440
    Keywords: Emotionality ; Behaviour ; Genetics ; Animal models ; QTL analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract It seems that the genetic basis of common psychiatric diseases such as schizophrenia and manic-depressive psychosis is amenable to the genetic mapping strategies that have been successful in other complex disorders such as diabetes. The next challenge is the genetic dissection of quantitative behavioural traits such as mood, personality and intelligence. Quantitative traits pose new problems for gene cloning experiments. We argue that one way forward is by using animal models. One of the features of quantitative traits is that the DNA sequence variants which are responsible for them are unlikely to be immediately recognizable. In contrast to many qualitative traits where a discrete phenotypic difference is often the consequence of an inactivating mutation, the allelic variation responsible for quantitative traits probably has a more subtle basis. This distinction means that strategies to clone the genetic basis of quantitative behavioural traits will have to rely on functional assays of alleles thought to be important in determining the phenotype. We suggest that an efficient strategy for detecting sequences that give rise to quantitative behavioural traits can be devised in the mouse. The importance and utility of the mouse for quantitative trait analysis make it worthwhile to investigate mouse models of human behaviour; these advantages outweigh the difficulties that arise in attempts to validate the animal models. As an example we review the evidence that validates rodent emotionality as an animal model for susceptibility to human anxiety. We show that there is good evidence that rodent emotionality is a central nervous system state with a genetic basis, and that there are neuropharmacological and neuroanatomical parallels with human anxiety. Furthermore, our own work has shown that the genetic basis of the trait is relatively simple, and that the task of characterizing it at a molecular level is feasible. We expect that future experiments will show us how genetic variation gives rise to quantitative behavioural traits.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Journal of molecular medicine 74 (1996), S. 515-521 
    ISSN: 1432-1440
    Keywords: Key words Emotionality ; Behaviour ; Genetics ; Animal models ; QTL analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract  It seems that the genetic basis of common psychiatric diseases such as schizophrenia and manic-depressive psychosis is amenable to the genetic mapping strategies that have been successful in other complex disorders such as diabetes. The next challenge is the genetic dissection of quantitative behavioural traits such as mood, personality and intelligence. Quantitative traits pose new problems for gene cloning experiments. We argue that one way forward is by using animal models. One of the features of quantitative traits is that the DNA sequence variants which are responsible for them are unlikely to be immediately recognizable. In contrast to many qualitative traits where a discrete phenotypic difference is often the consequence of an inactivating mutation, the allelic variation responsible for quantitative traits probably has a more subtle basis. This distinction means that strategies to clone the genetic basis of quantitative behavioural traits will have to rely on functional assays of alleles thought to be important in determining the phenotype. We suggest that an efficient strategy for detecting sequences that give rise to quantitative behavioural traits can be devised in the mouse. The importance and utility of the mouse for quantitative trait analysis make it worthwhile to investigate mouse models of human behaviour; these advantages outweigh the difficulties that arise in attempts to validate the animal models. As an example we review the evidence that validates rodent emotionality as an animal model for susceptibility to human anxiety. We show that there is good evidence that rodent emotionality is a central nervous system state with a genetic basis, and that there are neuropharmacological and neuroanatomical parallels with human anxiety. Furthermore, our own work has shown that the genetic basis of the trait is relatively simple, and that the task of characterizing it at a molecular level is feasible. We expect that future experiments will show us how genetic variation gives rise to quantitative behavioural traits.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Springer
    Der Nervenarzt 67 (1996), S. 837-845 
    ISSN: 1433-0407
    Keywords: Schlüsselwörter Migräne ; Genetik ; Familiäre Hemiplegische Migräne ; Linkageanalyse ; Zwillingsstudien ; Assoziationsstudien ; Key words Migraine ; Familial Hemiplegic Migraine ; Genetics ; Linkage analysis ; Twin studies ; Association studies
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Summary Several historical reports focusing on the heredity of migraine, as well as recent studies on its epidemiology and molecular biology, have revealed evidence for a decisive role of genetic factors in the aetiopathogenesis of familial migraine. Indeed, family studies, segregation analyses and twin studies have shown that genetic factors play an important role in disposition towards migraine but could not explain the entire aetiopathogenesis. The influence of extragenetic factors, however, remains mostly unknown. Recent linkage analyses have provided evidence for genetic heterogeneity. A locus for Familial Hemiplegic Migraine (FHM), the only known type of migraine that follows autosomal-dominant transmission, has been linked to chromosome 19p13 but genetic heterogeneity has also been shown, i. e. different types of migraine could be excluded from this locus. Further investigations should concentrate on identifying the FHM gene on chromosome 19p13, on linkage analyses with markers for different susceptibility genes, and on genomic analyses of highly informative pedigrees. This would lead to further clues to the pathogenesis underlying migraine and, thus, to therapeutic developments.
    Notes: Zusammenfassung Nachdem bereits in historischen Beschreibungen eine genetische Verursachung der Migräne vermutet worden war, haben epidemiologische und molekularbiologische Forschungen in den letzten Jahren differenzierte Ergebnisse über genetische Faktoren in der Ätiopathogenese der familiären Migräne geliefert. Aufgrund von Familien- und Segregationsanalysen und von Zwillingsstudien wird dargestellt, daß genetische Faktoren mit größter Wahrscheinlichkeit eine Rolle in der Pathogenese der typischen Migräne spielen. Inwieweit extragenetische Faktoren auf die Ätiopathogenese der Migräne Einfluß nehmen, ist weitgehend offen. Linkageanalysen haben in jüngster Zeit gezeigt, daß möglicherweise mehrere verschiedene Gene für diese Erkrankung verantwortlich sind. Für die Familiäre Hemiplegische Migräne (FHM), der einzigen Migräneform, für die ein autosomal-dominanter Erbgang nachgewiesen ist, konnte ein Genlocus auf Chromosom 19p13 gefunden werden, gleichzeitig wurde aber auch genetische Heterogenität nachgewiesen. Verschiedene andere Formen der Migräne zeigten keine Linkage zu diesem Locus. Weitere Forschungen sollten neben der Identifizierung des FHM-Gens auch Linkageanalysen für Kandidatengene und Genomanalysen an großen informativen Familien zum Ziel haben. Letztlich werden die Ergebnisse genaueren Einblick in die Pathophysiologie der Migräne liefern und damit therapeutisch relevant sein.
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  • 6
    ISSN: 1433-2965
    Keywords: Bone density ; Femor geometry ; Genetics ; Twins
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract To estimate genetic effects on femoral neck geometry and the distribution of bone mineral within the proximal femur a cross-sectional twin analysis was carried out at a university hospital that compared correlations in these traits in pairs of mono- and dizygo-tic female twins. Monozygotic (MZ, n=51 pairs, age 49.1±9.3 years) and dizygotic (DZ, n=26 pairs, age 45.7±11.3 years) twins were randomly selected from a larger sample of twins previously studied. Measurements of bone mineral density (BMD), femoral neck angles and length, cross-sectional area and moment of interia, the center of mass of the narrowest cross-section of the femoral neck, and BMDs of regions within the femoral neck were made. A summary index of the resistance of the femoral neck to forces experienced in a fall with impact on the greater trochanter (Fall Index, FI) was calculated. MZ pair intraclass correlations (rMZ) were significantly (p〈0.05) different from zero for all bone mass and femoral geometry variables (0.35〈rMZ〈0.82). DZ pair correlations (rDZ) were lower thanrMZ for all variables (0.04〈rDZ〈0.52) except femoral neck length (rDZ=0.38, rMZ=0.36). After adjustment for BMD of the femoral neck,rMZ was significantly greater thanrDZ, yielding high heritability estimates for regional BMDs (0.72〈H 2〈0.78), the center of mass of the femoral neck (H 2=0.70, −0.04 to 1.43 95% CI) and the resistance of the femoral neck to forces experienced in a fall (FI,H 2=0.94, 0.06 to 1.85 95% CI), but not for femoral neck length. Adjustments for age did not alter these findings. It is concluded that there are significant familial influences on the distribution of femoral bone mass and on the calculated structural strength of the proximal femur, but not on femoral neck length. If the assumptions of the twin model are correct, this is evidence for genetic factors influencing these traits.
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  • 7
    ISSN: 1573-0905
    Keywords: Differential diagnosis ; Etiology ; Genetics ; Mathematics performance ; Reading disability ; Twins
    Source: Springer Online Journal Archives 1860-2000
    Topics: Education
    Notes: Abstract In order to assess the etiology of reading disability as a function of mathematics performance, data from 168 monozygotic (MZ) and 127 same-sex dizygotic (DZ) twin pairs in which at least one member of each pair was reading-disabled were subjected to quantitative genetic analyses. MZ and DZ concordance rates for reading disability were computed for different levels of mathematics performance, and reading performance data were fitted to an extension of the basic multiple regression model for the analysis of selected twin data. Results of these analyses suggest that genetic factors may be especially salient as a cause of reading disability in children with borderline deficits in mathematics performance: thus, mathematics performance may be a valid dimension for diagnosing subtypes of reading disability.
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  • 8
    ISSN: 1432-0533
    Keywords: Key words Alzheimer’s disease ; Clinicopathological ; correlations ; Early-onset dementia ; Genetics ; Pick’s ; disease
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Springer
    Diabetologia 39 (1996), S. 375-382 
    ISSN: 1432-0428
    Keywords: Genetics ; maternally inherited diabetes and deafness ; NIDDM ; IDDM ; mitochondria ; MELAS syndrome
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Summary Diabetes mellitus is a common disease with many forms of clinical expression. In addition, the development of diabetic complications is not only dependent on glycaemic control but also on individual factors which may be related to genetic heterogeneity. At present, multiple genetic factors are being recognized as contributing to the development of diabetes or possibly modulating its clinical expression. The purpose of this review is to give an overview of our current knowledge on a subtype of diabetes which is apparently caused by a single mutation in the mitochondrial DNA.
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  • 10
    Electronic Resource
    Electronic Resource
    Springer
    Oecologia 108 (1996), S. 419-423 
    ISSN: 1432-1939
    Keywords: Barnyard grass ; Seed dormancy ; Geographic variation ; Genetics ; Ecophysiology
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract In 1991–1993, we investigated the incidence of seed dormancy in 25 local populations of barnyard grass, Echinochloa crus-galli (L.) P.Beauv., in the western Czech Republic. The percentage of germination after 4 months afterripening of dry seeds at 25°C varied between 0.0 and 83.6%. Although there were significant annual differences in the percentage of germination at some localities, typical proportions of dormant seeds persisted over 3 years at field sites where the seed bank was not disturbed. One-way ANOVA (using data from 14 cultivated or abandoned fields) revealed that 73.0% of variance in seed dormancy incidence could be attributed to the effect of locality (P〈0.001). Incidence of dormancy was not correlated with mother plant stature (dry above-ground biomass, number of tillers, maximal stem height) nor seed mass. There was a significant correlation (r 2=0.403, P〈0.005) between dormancy incidence at natural localities in 1991 and in F1 offspring sown at experimental grounds at Praha-Ruzyně in 1992. The results indicate that heredity is important in maintaining local variation in seed dormancy, probably favoured by the self-pollinating reproduction of barnyard grass.
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  • 11
    ISSN: 1432-1920
    Keywords: Key words Myotonic dystrophy ; Magnetic resonance imaging ; Brain ; Muscles ; Genetics
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Amplification of an unstable CTG trinucleotide repeat sequence in a protein kinase gene on chromosome 19 has recently been recognised as the molecular basis of myotonic dystrophy (DM), a multisystem disorder with a wide spectrum of muscular and extramuscular manifestations. The CTG expansion of 40 patients was assessed by direct genotype analysis of the white blood cell DNA and correlated with MRI of the brain and muscles, and with functional clinical data. Cerebral pathology on MRI consisted of diffuse atrophy (68 %), subcortical white matter lesions (65 %), wide Virchow-Robin spaces (38 %) and thickening of the skull (35 %). Cerebral atrophy and extent of white matter disease correlated significantly with mental retardation, duration of disease and CTG fragment amplification. MRI of the muscular system showed fatty degeneration of different degrees in neighbouring muscles causing a mosaic pattern of the thigh in 38 % and the calf in 44 %. Muscular changes on MRI were strongly correlated with muscular impairment but less strongly with CTG expansion. Changes on MRI reflect the stage of development of tissue pathology in DM, modified by defect of the DM gene. Pathology on MRI is strongly correlated with functional deficits.
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  • 12
    Electronic Resource
    Electronic Resource
    Springer
    European journal of pediatrics 155 (1996), S. 540-544 
    ISSN: 1432-1076
    Keywords: Key words Amyloidosis ; Arab ; children ; Familial Mediterranean ; fever ; Genetics ; Recurrent ; abdominal pain
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Over a period of 3 years, 192 children with familial Mediterranean fever were prospectively studied. Of these, 106 (55%) were girls and 86 (45%) were boys. The prevalence was 1 : 2600 children with a gene frequency of 1 : 50. The age at onset ranged between 4 months and 16 years. Of these patients 24% started their illness below the age of 2 years and 88% were symptomatic before the age of 10 years; 82% had recurrent abdominal pain, 43% had pleurisy, 37% had arthritis, 15% had cutaneous manifestations, 12% had splenomegaly and 4% had hepatomegaly. The presenting symptoms were abdominal pain in 51%, unilateral chest pain in 23% and arthritis in 26%. The family history was positive in 62%. Of 12 affected families 19 members had/have renal failure and amyloidosis was confirmed in 7 patients. Conclusion Our data show a high prevalence of familial Mediterranean fever and a high gene frequency in Arab children similar to that reported in Jews and Armenians.
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  • 13
    Electronic Resource
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    European journal of pediatrics 155 (1996), S. 540-544 
    ISSN: 1432-1076
    Keywords: Amyloidosis ; Arab children ; Familial Mediterranean fever ; Genetics ; Recurrent abdominal pain
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Over a period of 3 years, 192 children with familial Mediterranean fever were prospectively studied. Of these, 106 (55%) were girls and 86 (45%) were boys. The prevalence was 1∶2600 children with a gene frequency of 1∶50. The age at onset ranged between 4 months and 16 years. Of these patients 24% started their illness below the age of 2 years and 88% were symptomatic before the age of 10 years: 82% had recurrent abdominal pain, 43% had pleurisy, 37% had arthritis, 15% had cutaneous manifestations, 12% had splenomegaly and 4% had hepatomegaly. The presenting symptoms were abdominal pain in 51%, unilateral chest pain in 23% and arthritis in 26%. The family history was positive in 62%. Of 12 affected families 19 members had/have renal failure and amyloidosis was confirmed in 7 patients.
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  • 14
    Electronic Resource
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    Springer
    Psychopharmacology 124 (1996), S. 332-339 
    ISSN: 1432-2072
    Keywords: Nicotine ; Genetics ; Self-administration ; Reinforcement ; Seizures
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract Inbred mouse strains differ in sensitivity to a first dose of nicotine and in the development of tolerance to nicotine. The experiments reported here used six inbred mouse strains (A, BUB, C3H, C57BL/6, DBA/2, ST/b) that differ in sensitivity to an acute challenge dose of nicotine to determine whether differences in oral self-selection of nicotine exist. Animals were presented with solutions containing nicotine or vehicle (water or 0.2% saccharin) and their daily intake of the two fluids was measured for 4 days starting with a 10 µg/ml nicotine solution. This was followed by sequential 4-day testing with 20, 35, 50, 65, 80, 100, 125, 160, and 200 µg/ml nicotine solutions. The strains differed dramatically in their self-selection of nicotine and in maximal daily dose (mg/kg); the rank order of the strains was C57BL/6〉DBA〉BUB〉A≥C3H≥ST/b for both the tap water and 0.2% saccharin choice experiments. Correlations between nicotine consumption and sensitivity to nicotine, as measured by a battery of behavioral and physiological responses, were also calculated. Strain differences in nicotine intake were highly correlated with senstivity to nicotine-induced seizures. As senstivity to nicotine-in-duced seizures increases, oral self-selection of nicotine decreases. This finding may suggest that this toxic action of nicotine serves to limit intake.
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  • 15
    Electronic Resource
    Electronic Resource
    Springer
    European archives of psychiatry and clinical neuroscience 246 (1996), S. 175-181 
    ISSN: 1433-8491
    Keywords: Schizophrenia ; Genetics ; Liability ; Vulnerability ; Eye-tracking dysfunction ; Eye movements ; Smooth-pursuit eye movements
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Notes: Abstract There is increasing evidence that the genetic predisposition for schizophrenia in families affects more individuals than those fulfilling the criteria for schizophrenia. This finding is supposed to be one of the major problems in molecular genetic schizophrenia research, especially when linkage studies are employed. Eye-tracking dysfunction (ETD), which is conceived as a possible phenotypic marker for genetic liability to schizophrenia, may offer considerable advantages. However, there is only little information from families with multiple occurrence of schizophrenia. It is still unclear whether in these families ETD aggregates with diagnoses from the schizophrenia spectrum. This first report from an ongoing study presents the results of 48 individuals from 6 multiplex families. Smooth-pursuit eye movements were recorded by infrared reflectometry and assessed by quantitative measurement techniques. Along with the high degree of psychiatric morbidity in these families, in 56.3% of the individuals ETD was assessed. Reduced mean pursuit gain was present in 39.6%. The distribution of eye-tracking dysfunction resembles the distribution of schizophrenia-related psychiatry morbidity.
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  • 16
    Electronic Resource
    Electronic Resource
    Springer
    Acta diabetologica 33 (1996), S. 257-262 
    ISSN: 1432-5233
    Keywords: Key words NIDDM ; Candidate genes ; Genetics
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
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  • 17
    Electronic Resource
    Electronic Resource
    Springer
    Acta diabetologica 33 (1996), S. 257-262 
    ISSN: 1432-5233
    Keywords: NIDDM ; Candidate genes ; Genetics
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Type of Medium: Electronic Resource
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  • 18
    Electronic Resource
    Electronic Resource
    Springer
    Theoretical and applied genetics 92 (1996), S. 382-387 
    ISSN: 1432-2242
    Keywords: Genetics ; Blacking resistance ; Brassica napus ; Brassica juncea ; Leptosphaeria maculans
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract The genetic control of adult-plant blackleg (Leptosphaeria maculans) resistance in a Brassica napus line (579NO48-109-DG-1589), designated “R13” possessing Brassica juncea-like resistance (JR), was elucidated by the analysis of segregation ratios in F2 and F3 populations from a cross between “R13” and the highly blackleg-susceptible B. napus cultivar “Tower”. The F2 segregration ratios were bimodal, demonstrating that blackleg resistance in “R13” was controlled by major genes. Analysis of the segregation ratios for 13 F3 families indicated that blackleg resistance in these families was controlled by three nuclear genes, which exhibited a complex interaction. Randomly sampled plants of F3 progeny all had the normal diploid somatic chromosome number for B. napus. The similarities between the action of the three genes found in this study with those controlling blackleg resistance in B. juncea is discussed.
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  • 19
    Electronic Resource
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    Springer
    Theoretical and applied genetics 92 (1996), S. 817-826 
    ISSN: 1432-2242
    Keywords: Zea mays ; RFLPs ; Plant breeding ; Genetics ; Recombination
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract This study was conducted to compare maize quantitative trait loci (QTL) detection for grain yield and yield components in F2∶3 and F6∶7 recombinant inbred (RI) lines from the same population. One hundred and eighty-six F6∶7 RIs from a Mo17×H99 population were grown in a replicated field experiment and analyzed at 101 loci detected by restriction fragment length polymorphisms (RFLPs). Single-factor analysis of variance was conducted for each locus-trait combination to identify QTL. For grain yield, 6 QTL were detected accounting for 22% of the phenotypic variation. A total of 63 QTL were identified for the seven grain yield components with alleles from both parents contributing to increased trait values. Several genetic regions were associated with more than one trait, indicating possible linked and/or pleiotropic effects. In a comparison with 150 F2∶3 lines from the same population, the same genetic regions and parental effects were detected across generations despite being evaluated under diverse environmental conditions. Some of the QTL detected in the F2∶3 seem to be dissected into multiple, linked QTL in the F6∶7 generation, indicating better genetic resolution for QTL detection with RIs. Also, genetic effects at QTL are smaller in the F6∶7 generation for all traits.
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  • 20
    Electronic Resource
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    Springer
    Theoretical and applied genetics 93 (1996), S. 932-940 
    ISSN: 1432-2242
    Keywords: Genetics ; Adult-plant ; Blackleg resistance ; Brassica napus ; Leptosphaeria maculans ; Australian cultivar
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract The genetic control of adult-plant blackleg [Leptosphaeria maculans (Desm.) Ces. et De Not.] resistance in rapeseed (Brassica napus L.) was studied in the F2 and first-backcross populations of the cross “Maluka” (blackleg-resistant) x “Niklas” (highly susceptible). A L. maculans isolate possessing high levels of host specificity (MB2) was used in all inoculations. Resistance/susceptibility was evaluated using three separate measures of crown-canker size, i.e. the percentage of crown girdled (%G), external lesion length (E) and internal lesion area (%II). Disease severity scores for the F2 and first-backcross populations based on E and %II gave discontinuous distributions, indicating major-gene control for these measures of resistance; but those for %G were continuous, indicating quantitative genetic control for this measure. Chi-square tests performed on the (poorly-defined) resistance classes, based on E, in the F2 and first-backcross populations indicated the likelihood for resistance being governed by a single, incompletely dominant major gene. Although the distributions of the F2 and first-backcross populations, based on%II, were clearly discontinuous, the observed segregation ratios for resistance and susceptibility did not fit any of the numerous Mendelian ratios which were considered. Differences in inheritance of resistance according to the assessment method and blackleg isolate used, were discussed.
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  • 21
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    Theoretical and applied genetics 93 (1996), S. 301-306 
    ISSN: 1432-2242
    Keywords: Leptosphaeria maculans ; Brassica napus ; Blackleg ; Genetics ; Virulence
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract The genetic basis of virulence of 24 isolates of L. maculans collected from various sites throughout south-eastern and south-western Australia were studied using five clone-lines of B. napus. The experimental design allowed the estimation of the environmental and genetic components of variance using a standard analysis of variance. Virulence of these isolates (as measured by the percentage of stem girdling, %G) on the clonelines NCII and Tap was found to be most likely controlled by a small number of genes; the broad-sense heritabilities were 79.7% and 67.5% for virulence on NCII and Tap, respectively. The significance of these results in relation to the potential of L. maculans in adapting to new resistant B. napus cultivars is discussed.
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  • 22
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    Theoretical and applied genetics 92 (1996), S. 267-272 
    ISSN: 1432-2242
    Keywords: Cerrado ; Savannah ; Acid soils ; Hydroponics ; Nutrient ; Variety ; Genetics ; Inheritance
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract The soybean is a major crop in the agricultural systems of the Brazilian Cerrados (Savannahs), whose soils are acidic, devoid of nutrients and need to be amended before they are cultivated. However, below the ploughed layer there is a scarcity of nutrients and toxic aluminium (Al). These limit root growth, subsequently causing nutritional imbalance and drought stress. Our aim in the investigation described here was to identify genetic differences in the aluminium tolerance of soybeans by a 9 × 9 diallel cross among contrasting varieties grown in high-Al areas and in hydroponics. Combining ability analysis indicated predominantly additive gene effects, and the additive-dominance model explained most of the genetic differences in this germ plasm for mineral element absorption and root growth under aluminium stress. The relationship between the two factors suggest that conjugation hydroponics and field evaluations in breeding programmes would further improve soybeans with respect to yield stability under tropical cultivation conditions.
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  • 23
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    Theoretical and applied genetics 92 (1996), S. 817-826 
    ISSN: 1432-2242
    Keywords: Key words  Zea mays ; RFLPs ; Plant breeding ; Genetics ; Recombination ; Abbreviations  RFLPs Restriction fragment length polymorphisms ; QTL quantitative trait loci ; RIs recombinant inbreds
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract   This study was conducted to compare maize quantitative trait loci (QTL) detection for grain yield and yield components in F2:3 and F6:7 recombinant inbred (RI) lines from the same population. One hundred and eighty-six F6:7 RIs from a Mo17×H99 population were grown in a replicated field experiment and analyzed at 101 loci detected by restriction fragment length polymorphisms (RFLPs). Single-factor analysis of variance was conducted for each locus-trait combination to identify QTL. For grain yield, 6 QTL were detected accounting for 22% of the phenotypic variation. A total of 63 QTL were identified for the seven grain yield components with alleles from both parents contributing to increased trait values. Several genetic regions were associated with more than one trait, indicating possible linked and/or pleiotropic effects. In a comparison with 150 F2:3 lines from the same population, the same genetic regions and parental effects were detected across generations despite being evaluated under diverse environmental conditions. Some of the QTL detected in the F2:3 seem to be dissected into multiple, linked QTL in the F6:7 generation, indicating better genetic resolution for QTL detection with RIs. Also, genetic effects at QTL are smaller in the F6:7 generation for all traits.
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  • 24
    ISSN: 1432-2242
    Keywords: Aluminum toxicity ; Diallel analysis ; Genetics ; Rice ; Variability
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract A study was undertaken to investigate the variability among lowland rice cultivars and the mode of gene action of aluminum (Al) toxicity tolerance in rice. Pregerminated seeds were grown in a nutrient solution containing 30 ppm Al and in normal nutrient solution, and relative root length (RRL) was determined at the 14-day-old stage to characterize genotypes for tolerance. Sixty-two traditional rice cultivars grown on lowland acid sulfate soil areas of Asia and West Africa were tested. Tolerant varieties ‘Azucena’, ‘IRAT104’, and ‘Moroberekan’, moderately sensitive ‘IR29’ and ‘IR43’, and sensitive ‘IR45’ and ‘IR1552’ were used to investigate the genetics of tolerance by diallel analysis. Of the 62 cultivars tested, only 3 were found to be sensitive to A l toxicity. Among the tolerant cultivars identified, 11 (‘Siyam Kuning’, ‘Gudabang Putih’, ‘Siyam’, ‘Lemo’, ‘Khao Daeng’, ‘Siyamhalus’, ‘Bjm-12’, ‘Ketan’, ‘Seribu Gantang’, ‘Bayer Raden Rati’, and ‘Padi Kanji’) were found to possess higher levels of tolerance than the improved tolerant upland cultivar ‘IRAT104’. Diallel analysis revealed that high RRL is governed by both additive and dominance effects with a preponderance of additive effects. The trait exhibited partial dominance, and one group of genes was detected. Heritability was high, and environmenal effects were low. Findings suggest that when breeding for A1 toxicity tolerance, selection can be made in early generations. The pedigree method of breeding would be suitable. Combining ability analysis revealed the importance of both general combining ability (GCA) and specific combining ability (SCA) in the genetics of A1 toxicity tolerance in rice. GCA was more prevalent than SCA. Tolerant parens ‘Azucena’, ‘IRAT104’, and ‘Moroberekan’ were the best general combiners. The presence of reciprocal effects among crosses suggested the proper choice of parents in hybridization programs. Results indicated that ‘Azucena’, ‘IRAT 104’, and ‘Moroberekan’ should be used as the female in crosses for A1 toxicity tolerance.
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  • 25
    ISSN: 1432-2242
    Keywords: Extreme virus resistance ; Potyviruses ; Genetics ; Genes Ry and Ra ; New gene
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Extreme resistance in cultivated potato (Solanum tuberosum) to potato viruses Y and A (PVY and PVA) conditioned by the presence of Ry genes introduced from Solanum stoloniferum was described by Cockerham (1970). Cockerham detailed a number of genes which controlled a variety of reactions, including extreme resistance to both viruses (i.e. little or no visible reaction of plants and no viral replication following graft and manual inoculation) controlled by gene Ry sto. In the present study, cvs ‘Pirola’ and ‘Barbara’, which contain a Ry gene, were found to have extreme resistance to PVY isolates from the ordinary (PVY°), veinal necrosis (PVYN) and potato tuber necrotic ringspot (PVYNTN) subgroups, and PVA. The inheritance of this phenotype was examined in seedling progenies obtained by crossing ‘Barbara’ and ‘Pirola’ with susceptible cultivars. Segregation data for resistance to PVY and PVA in a progeny involving cv ‘Pirola’ best fitted a genetical model of one gene controlling extreme resistance to both PVY and PVA, although the possibility that there are two genes, each controlling resistance to one virus but closely linked, cannot be excluded. Segregation data from progenies involving cv ‘Barbara’ best fitted a genetical model in which there are two independent genes, one controlling extreme resistance to PVA and PVY and a second gene controlling extreme resistance to PVA but not to PVY. This previously unrecognised gene conferring extreme resistance to PVA only, should be given the notation Ra in keeping with nomenclature used for other resistance genes.
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  • 26
    ISSN: 1573-0905
    Keywords: Compensation ; Dyslexia ; Environment ; Familial aggregation ; Genetics ; Risk
    Source: Springer Online Journal Archives 1860-2000
    Topics: Education
    Notes: Abstract When one or both parents have a history of developmental reading disorder (RD) in childhood, the risk to their offspring for developing reading problems is substantially increased. However, risk research has usually assumed a stability of reading problems across the lifespan (i.e., if a parent was affected in childhood, he or she remains affected in adulthood). Yet, some individuals with RD in childhood compensate for the disorder as they grow older. Both an environmental and genetic hypothesis would predict that the risk for RD in offspring will vary as a function of parental compensation. This study examined whether risk to offspring was dependent on the parents' successful or unsuccessful compensation for their childhood reading problems. Two large family data sets were analyzed (N=907). Diagnoses with either an age discrepant or IQ discrepant criteria essentially showed that having at least one still affected parent (i.e., RD both as a child and as an adult) put the offspring at a higher risk for RD than having at least one compensated parent (i.e., RD as a child but not as an adult). The lowest risk to an offspring occurred when both parents were never affected (i.e., not RD as a child or as an adult). The implications of these findings are discussed with regard to counseling and early diagnosis of reading problems.
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  • 27
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 42 (1996), S. 767-776 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Identification of low-order linear multiinput/multiouput models can lead to accurate descriptions of the dynamic behavior of a continuous crystallization process. While open-loop experiments exhibit an oscillating crystal size distribution, improved experimental conditions can be established through stabilization of the process with a simple single-loop feedback controller. The resulting closed-loop identification problem is studied using low-order linear multivariable input-output models. Two closed-loop identification methods are applied, one of which was recently introduced to provide accurate approximate models in general closed-loop process configurations. Identification and validation data are obtained from an evaporative pilot crystallizer, and the identified models are validated in terms of time- and frequency-domain responses. A fourth-order, three-input three-output model is shown to describe accurately the process dynamics. The results are compared with a linearized and reduced first-principles model.
    Additional Material: 12 Ill.
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  • 28
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    AIChE Journal 42 (1996), S. 2582-2593 
    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 model-predictive control (MPC) design methodology for processes with more manipulated inputs than outputs is developed. Essential features of the proposed approach are the following: the on-line optimization minimizes an objective function based on the l2 norm; an end-condition equation is utilized; model uncertainty is considered as upper and lower bounds on the pulse-response-model coefficients; hard constraints on the input and move-size variables and soft constraints on the output variables are posed. A major difference between square and nonsquare MPC is that in the former the end-condition can be used directly, while in the latter a nonlinear programming problem needs to be solved during the design phase to select values for the input move suppression coefficients. This technique is illustrated through a number of simulations and application to a real industrial process.
    Additional Material: 10 Ill.
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  • 29
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    AIChE Journal 42 (1996), S. 2627-2634 
    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 comprehensive experimental study of gas holdup in bubble columns of varying diameters, fitted with different distributor types, using several liquids is presented. Air was used as the gas phase. Experiments to test the influence of gas density were also carried out with He, Ar, and SF6. A generalization of the two-phase model for gas-solid fluidized beds was used to interpret the experimental data where the “dilute” phase is identified with the “large” bubble population and the “dense” phase with the liquid phase where the “small” bubble population is entrained. Gas holdups in dilute and dense phases were determined from dynamic gas disengagement experiments.In the churn-turbulent regime of operation, voidage of the gas in the dense phase was independent of the superficial gas velocity. Reilly et al.'s correlations for the gas holdup and superficial gas velocity at the regime transition point estimate the gas voidage of the dense phase and the superficial gas velocity well through this phase. Corresponding correlations of Wilkinson et al. significantly underpredict dense-phase parameters. The experiment showed that the dilute phase or large bubble holdup in bubble columns, operating at superficial gas velocities 〉 0.1 m/s, is independent of liquid properties, how the gas is distributed and the density of the gas phase. But it is affected significantly by the column diameter. Relying on hydrodynamic analogies with a gas-solid-fluid bed, a simple correlation was developed that is considerably more accurate than the Wilkinson correlation that significantly overpredicts large bubble holdup.
    Additional Material: 11 Ill.
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  • 30
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    AIChE Journal 42 (1996), S. 1569-1582 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Complex hydrodynamic behavior of circulating fluidized beds makes their scale-up very complicated. In particular, large-scale lateral solids segregation causes a complex two-phase flow pattern which influences significantly their performance. Lateral solids segregation has been attributed to direct collisional interactions between particles as well as to interaction between gas-phase eddies and dispersed particles. However, these phenomena have not been investigated thoroughly.This article discusses an advanced 2-D hydrodynamic model developed for circulating fluidized beds based on the two-fluid concept. Because theory to model the interaction between gas-phase eddies and dispersed particles is not available, turbulence was modeled on a macroscopic scale using a modified Prandtl mixing length model. To model the influence of direct particle-particle collisions the kinetic theory for granular flow was applied based on the Chapman-Enskog theory of dense gases. For model validation purposes, a cold flow circulating fluidized bed was employed in which sand was transported with air as fluidizing agent. The column is equipped with pressure transducers to measure the axial pressure profile and with a reflective optical fiber probe to measure the local solids concentration and axial solids velocity. Theoretically calculated solids concentration and axial solids velocity agree satisfactorily with experiment, especially when one realizes that the model contains no adjustable parameters. In general, however, the model slightly underpredicted the experimentally observed lateral solids segregation and yielded a more peaked velocity profile compared to its experimental counterpart.
    Additional Material: 15 Ill.
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  • 31
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    AIChE Journal 42 (1996), S. 1590-1599 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Cohesive (Group C) particles have been widely used in various industries. To handle and process such fine particles, a clear understanding of the flow behavior and interparticle force, is needed. To achieve that objective, a Laser Doppler Anemometer system was used to measure particle velocity, fluctuating velocity, and size and extent of agglomeration or cluster formation of particles in a dilute gas/fine oil shale particle flow system with particle density of 2,082 kg/m3, average particle volumetric concentration of 1.5%, and average particle mass flux of about 100 kg/m2·s in a controlled-moisture environment. The flow behavior of the particles was also studied for a mixture of 99% shale particles and 1% antistatic agent (Larostat powder, a quaternary ammonium compound) to examine the role of electrostatic force in gas/cohesive particle flow behavior. The addition of Larostat powder significantly reduced the electrostatic force and, in turn, made Group C particles behave similar to Group A or in some cases to Group B particles. In addition, our experimental data showed that the Maxwellian distribution function is a reasonable assumption to describe the velocity probability density function of the shale particles with or without antistatic agents.
    Additional Material: 14 Ill.
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  • 32
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    AIChE Journal 42 (1996), S. 1621-1626 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Flow visualization of flowing particles around a tube of various types of tube arrangements in a moving bed was studied using X-ray video films to obtain a relation between particles behavior and local heat-transfer coefficients. A stagnant part of solid particles was observed on the tube in the case of a staggered arrangement. This part did not appear in the case of the single tube and the single row of tubes. The measured local heat-transfer coefficients around a tube was decreased in this stagnant part. Furthermore, influences of different tube arrangements both on flow patterns of particles and on local heat-transfer coefficients between tubes and bed were examined.
    Additional Material: 13 Ill.
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  • 33
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    AIChE Journal 42 (1996), S. 1600-1611 
    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 method for generating theoretical breakage distribution functions for multiple particle breakage is presented. It starts with the joint probability function that accounts for all the child particles; it is then reduced to the marginal probability function commonly used in the breakage equation. This method is flexible enough to allow the user to choose the number of child particles and the functional form to be used. The method is demonstrated with both product and summation functions with a power-law form. To facilitate the use of these theoretical functions for statistical analyses, a companion discretized breakage equation is developed. The new equation guarantees the conservation of mass and correct prediction of the total number of particles despite discretization. It is easy to use because it is a set of ordinary differential equations and applicable to both equal-size and geometric-size intervals. Simulation results show that different breakage distribution functions coupled with different breakage rates can produce almost indistinguishable particle-size distributions, signifying the need for further work in this area.
    Additional Material: 10 Ill.
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  • 34
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    AIChE Journal 42 (1996), S. 2607-2615 
    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 mathematical model has been developed that predicts the effects of design parameters, operating variables and physical properties on the performance of a membrane reactor with a permeselective wall. The model consists of the full set of partial differential equations that describe the conservation of mass, momentum and chemical species, coupled with chemical kinetics and appropriate boundary conditions for the physical problem. The solution of this system is obtained by a finite-volume technique. The model was applied to study the dehydrogenation of cyclohexane. Two membrane types in tubular form were studied: a selective porous glass with low gas permeabilities and a porous alumina with very high gas permeabilities. It is concluded that gas separation and reactor performance are strongly influenced by dispersion effects only in the latter membrane reactor, while in both cases radial concentration profiles do not correspond to those obtained with plug flow. Therefore, simulations of this type of problem should be based on complex dispersion models rather than the existing ideal plug-flow ones.
    Additional Material: 14 Ill.
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  • 35
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 42 (1996), S. 1627-1632 
    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 the determination of concentrations in the case of nonequilibrium washing stages is presented. Each washing stage is assumed to consist of series of mixing cells, and the conservation of solute mass is solved by Laplace transformation. The simplicity of the resulting equations makes this approach more practical than the existing one.
    Additional Material: 4 Ill.
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  • 36
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    AIChE Journal 42 (1996), S. 1633-1641 
    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 graphical construction called an energy-utilization diagram (EUD) is adopted for analyses of energy transformation and exergy losses in a distillation column. The overall exergy loss on one plate of a column can be decomposed into six kinds of exergy losses and are represented graphically. Two of them are caused by mixing and cooling in the vapor phase, and the other two by mixing and heating in the liquid phase. To display the remaining two yielded by condensation and evaporation of each component, the concept of the individual energy level is applied. The relationship between the individual energy level and the xy diagram is presented as well as effects of the reflux ratio and the feed location on the EUD for the whole column. Separation of n-hexane and n-octane is used to illustrate the methodology.
    Additional Material: 11 Ill.
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  • 37
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    AIChE Journal 42 (1996), S. 1642-1647 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Based on the UBET, a new strategy for identifying faulty equipment for dynamic chemical processes under automatic control is presented. The strategy is designed to distinguish between measurement biases, controller biases, and process leaks. For illustration purposes, application is given to a level control process under pseudo-steady state. This approach was inspired by the work of Rollins and Devanathan to identify biased measurements under dynamic conditions. Advantages of this method are that it is not computationally intensive, can accurately detect and specifically identify the type of fault, and can accurately determine the time when the fault occurs.
    Additional Material: 2 Ill.
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  • 38
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    AIChE Journal 42 (1996), S. 1662-1672 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Stricter emission control legislation for diesel use has been increasing interest in highly efficient wall-flow particulate filters. The mathematical modeling of the filter regeneration process is indispensable in developing reliable and durable trap systems for various applications. Although modeling of wall-flow filters has been investigated extensively, significant problems still exist in the correlation of modeling results with measurements. This article describes an improved modeling and model tuning approach. A classical zero-dimensional regeneration model, modified to account for incomplete soot oxidation effects, is discussed, and existing and novel methods of estimating trap loading, crucial in all modeling applications, are compared. The design of a model tuning approach based on full-scale experiments is highlighted with examples of model predictions during trap failure that show capabilities of supporting the design of trap protection techniques. Applications to regeneration rate control, filter sizing and the development of on-board diagnostics are demonstrated with examples. Dimensional analysis is used for the concise quantitative evaluation of the parameters affecting the evolution of the regeneration process.
    Additional Material: 11 Ill.
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  • 39
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    AIChE Journal 42 (1996), S. 3202-3211 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Increased demand for cryocoolers for aerospace and terrestrial applications has served as an incentive over the past decade to develop units with specific performance parameters. Since many of these units also require a high degree of reliability, considerable effort has been directed toward meeting this goal. The excellent progress that has been made is summarized, and there is every indication that the use of cryocoolers will expand greatly during the next decade, with a rapid transition from present aerospace/military applications to highly civilian uses in such areas as medicine, electronic transmission, environmental control, energy storage, and transportation.
    Additional Material: 11 Ill.
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  • 40
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    AIChE Journal 42 (1996), S. 3241-3252 
    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 evaluates the effectiveness of a segregated model for prediction of growth and differentiation of Bacillus licheniformis in a submerged-culture fermentation system. The segregated model accounts for each of the three morphological forms of the Bacillus life cycle. The sporangium biomass was characterized using an age-population model to reflect the age-dependent progress toward spore formation. Constitutive relationships governing the rates of vegetative cell reproduction, spore germination, commitment to sporulation, and substrate consumption are proposed. Based on this model framework, the dynamic cell growth and differentiation equations were developed.Batch, steady-state and step-test fermentation data from a laboratory-scale fermentor were incorporated into a maximum likelihood parameter estimation scheme for model identification. Confident estimates of growth and differentiation parameters were obtained for the segregated model using biomass measurements. In addition, the model describes successfully growth and differentiation in batch and steady-state operating modes.
    Additional Material: 9 Ill.
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  • 41
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    AIChE Journal 42 (1996), S. 3267-3282 
    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 regenerative absorption-based process was developed for removing VOCs from N2 in an inert, nonvolatile, organic liquid flowing in compact hollow-fiber devices. The process eliminates flooding, loading, and entrainment, and can replace activated carbon adsorption. Two types of holow-fiber membranes were studied: one with a microporous wall and the other with a highly VOC-permeable nonporous coating on the outer surface of a microporous hollow fiber. Criteria for nondispersive operation were developed for each case. Experiments were conducted for the absorption of acetone, methylene chloride, toluene, and methanol from the respective VOC-N2 gas mixture using two absorbents: silicone oil and mineral oil. The highest mass-transfer coefficient was obtained for toluene followed by methylene chloride, acetone, and methanol. Different resistances making up the overall resistance in VOC absorption were characterized comprehensively to develop a predictive capability and compare the absorption performances of two types of fibers and the two absorbents. The absorbent-filled porous membrane contributed significantly to the total mass-transfer resistance. Numerical simulations of governing equations based on a cell model agree well with experimental results.
    Additional Material: 15 Ill.
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  • 42
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    AIChE Journal 42 (1996), S. 3301-3309 
    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-dimensional chaotic mixing of similar Newtonian fluids in the presence of an advected dissimilar minor phase fluid body with specified size, interfacial tension, and viscosity ratio was numerically investigated. Interfacial tension was sufficiently high to allow only small deformations in the dissimilar minor phase body. Mixing was confined to a rectangular cavity with periodically driven upper and lower surfaces. Regions of regular motion (i.e., islands) of comparable size to the minor phase body were eventually destroyed or replaced by the minor phase body. Islands persisted for longer times when the initial separation distance between the minor phase body and island was large or when the viscosity ratio was small. When interfacial tension was small enough to deform the minor phase body more readily, islands showed little indication of instability. Results suggest opportunities for improving mixing uniformity in practical processes and disclose how interactions between dissimilar fluids affect mixing.
    Additional Material: 8 Ill.
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  • 43
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    AIChE Journal 42 (1996), S. 3340-3350 
    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 spray technique, called ultrasound-modulated two-fluid (UMTF) atomization, is based on resonance between the liquid capillary waves generated by ultrasound and those generated by high-velocity air. The capillary waves generated by ultrasound on the cone of liquid film issuing from a coaxial two-fluid atomizer are magnified in amplitude by air blowing around them. Atomization occurs when the amplitude of the capillary waves is too great to maintain wave stability, and the resulting drop sizes are determined by the frequency of the ultrasound. Calculations of the relative amplitude growth for the capillary waves of various wavelengths yield predictions that agree remarkably well with experimental results of drop size and size distribution. Specifically, uniform drops with diameter determined by the third harmonic frequency of the ultrasound are obtained in UMTF atomization at high air velocity and large air-to-water mass ratio. In contrast, drop-size distributions with multiple peaks are obtained in UMTF atomization at low air velocity and small air-to-water mass ratio. The use of air also allows the liquid jet to atomize at ultrasonic power levels below and liquid flow rates above the threshold values for ultrasonic atomization without air. These new findings provide not only direct evidence of the capillary wave mechanism but also a means of controlling drop size and size distribution in two-fluid atomization.
    Additional Material: 13 Ill.
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  • 44
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    AIChE Journal 42 (1996), S. 3434-3441 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Many nuclear facilities throughout the world must separate strontium-90 and cesium-137 from natural waters containing calcium, magnesium, and sodium. Our research showed that chabazite, a zeolite with a hexagonal ring structure, is cost-effective for this purpose. A batch kinetic uptake model for this five-component ion-exchange system was developed and tested against experimental data. The pore-diffusion model of Yao and Tien is used with the equilibrium model of Perona. The resulting model is fast and stable, and represents the experimental data well.
    Additional Material: 8 Ill.
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  • 45
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Gray box models combine the short development time of data-driven black box models with extrapolation properties of knowledge-driven first principles models (white box), which in (bio)chemical engineering are always based on macroscopic balances. By modeling the inaccurately known terms in a macroscopic balance with a black box model, one naturally obtains a so-called serial gray box model configuration. The identification data must cover only the input-output space of the inaccurately known terms, and the accurately known terms can be used for reliable extrapolation. In this way, the serial gray box configuration results in accurate models with known extrapolation properties with a limited experimental effort. This strategy is demonstrated for the modeling and control of a pressure vessel using real-time experiments. For this case, the strategy is superior to a black box modeling approach that requires much more data and to a parallel gray box approach that results in a model with poor extrapolation properties. Moreover, neural networks are an accurate and convenient modeling tool for the black part in gray box model configurations, because a very fast noniterative training algorithm is used for training neural networks.
    Additional Material: 20 Ill.
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  • 46
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    AIChE Journal 42 (1996), S. 3310-3317 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Short contact time circulating fluidized beds (CFBs) are high-performance reactors with great potential of application for fast endothermic reactions. Optimal kinetic conditions require high operating temperature and very short residence time (∼0.15 s), as well as plug flow in the reaction zone, and fast and efficient solid separation before quenching effluents. Hydrodynamics of dilute CFB operated at high gas velocity was simulated in isothermal condition. The gas-flow field is described using turbulence closure models developed for the single phase and modified to account for particle presence. Numerical computation was compared with experimental results of Arena et al. (1993) and Tinaburri et al. (1996) for two different riser configurations. A parametric analysis was performed to investigate inlet geometry influence on flow pattern along the riser. Internal tube and circumferential gas inlet produced the most promising configuration to realize optimal flow condition.
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  • 47
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    AIChE Journal 42 (1996), S. 3364-3372 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Three binary vapor-liquid equilibrium (VLE) data were measured: tertbutanolethanediol, tertbutanol-KAc, and ethanediol-KAc. Experimental data were correlated with the salt-containing local composition model (SCLCM). For the multicomponent system, VLE data predicted by SCLCM are in agreement with the data in the literature. An industrial plant (3500T/Y) of salt-containing extractive distillation for the tertbutanol/water/ethanediol/potassium acetate system was simulated by SCLCM and improved the Rose relaxation method. Simulation results agree well with industrial data.
    Additional Material: 9 Ill.
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  • 48
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    AIChE Journal 42 (1996), S. 3388-3402 
    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 method to analyze the closed-loop stability of a system composed of a nonlinear process and a discrete controller is developed. The closed-loop system is described by a set of difference equations resulting from the discretization of the continuous-time model. A commonly used method of discretization (forward difference) offers an incorrect relative order compared to exact discretization. The state and input sensitivity equations of the continuous-time model are used in computing the nominal closed-loop stability criteria. The nominal stability analysis is extended to the important cases of unmeasured states and uncertain model parameters. A numerical Lyapunov function is used to estimate closed-loop regions of attraction. A simulation example (a CSTR with input multiplicity) presented illustrates the analysis methods and closed-loop behavior.
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  • 49
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    AIChE Journal 42 (1996), S. 1938-1944 
    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 cross-flow microfiltration flux is assumed to fall smoothly with a decreasing slope from startup to the steady state. Under actual operating conditions beyond a critical level, however, an anomalous decline pattern arises; initially cross-flow medium filtration occurs and then thin-cake filtration. At the earlier stage, fine particles in polydispersed suspensoids are filtered out on the surface of the membrane and/or captured within the latter, clogging the membrane pores gradually. After the membrane surface is covered by the deposit, further filtration occurs by the buildup of filter cake on the initial deposit. Among the many operating variables, three major controlling factors for the earlier stage are confirmed: solids concentration, relative size of solids and pores, and relative force of sweeping and capturing of suspensoids. Because suspended solids are separated by medium- and cake-law filtration in a series, a method for evaluating the time dependence of flux with the new pattern is derived. Reliable flux analysis is achieved for the transient flux of the dilute suspension forming a low compressibility fouling layer, which helps understand efficient flux performance.
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  • 50
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    AIChE Journal 42 (1996), S. 1945-1956 
    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 hollow-fiber supported gas membrane process for the separation of NH3 from aqueous solutions containing both NH3 and CO2 was investigated theoretically and experimentally. A lumen laminar flow and radial diffusion model was applied to calculate the membrane wall transfer coefficient from the data stripping a single volatile component, NH3 or CO2, from their individual aqueous solutions. Influence of the type of membranes and operating conditions on mass-transfer rate were discussed, especially the influence of the membrane transfer coefficient on the film mass-transfer coefficient in the lumen. Appropriate configurations of the hollow-fiber modules for stripping of a single component were analyzed to optimize mass transfer. To predict the stripping of NH3 from a solution containing NH3 and CO2, a mathematical model incorporating local chemical equilibria and Nernst-Planck diffusion was developed to describe the mass transport. The models described the experimental data fairly well. The experimental results showed that the supported gas membrane process can be used to remove NH3 effectively from aqueous media containing NH3 and CO2.
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  • 51
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    AIChE Journal 42 (1996), S. 2005-2013 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Thin liquid films stabilized by surfactants above the critical micelle concentration exhibit stratification or stepwise dynamic thinning. A continuum hydrodynamic model is outlined for stepwise film thinning that incorporates equilibrium micellar structuring through self-consistent oscillatory disjoining pressures and effective viscosities. Effective viscosities as functions of thickness are evaluated with an extension of the local average density model, considering dilute colloidal suspension shear viscosities and solvent effects. To establish local shear viscosities, structured DFT micellar profiles, coarse-grained densities, and disjoining pressure are used. Ionic micelles and other colloidal systems with repulsive interactions show structured effective viscosities that are generally less than the corresponding homogeneous solution shear viscosity, bounded by the pure solvent viscosity and that of the bulk micellar solution. For 0.1 and 0.2-M sodium dodecylsulfate micellar solutions, the effective viscosities are less than 5 and 10%, respectively, below the homogeneous fluid viscosity, except at small thicknesses, indicating that the micellar film thins faster than a pure water film of the same thickness.Calculated thinning curves closely resemble experimental observations in the stepwise thinning behavior, displaying decreasing slopes and increased step durations at later times. Despite the micellar structuring within the film, the ionic micelles do not contribute appreciably to the viscous resistance of the thinning film. Rather, Reynolds' film thinning is obeyed, with the equilibrium oscillatory disjoining pressures driving the stepwise dynamics. The shear viscosity of the ionic micellar film is well approximated by that of the bulk solution.
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  • 52
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    AIChE Journal 42 (1996), S. 2025-2035 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Thomas and Windle's model of Case II transport is analyzed for a semiinfinite medium by a singular perturbation technique. Two adjacent boundary layers separate equilibrated and dry regions. A thin boundary layer of width ∼ O(M-1/2/ln M), where M (≫1) dictates how rapidly the mixture's viscosity decays with liquid concentration, sits next to the equilibrated outer left region. Here, quasi-steady diffusion balances relaxation. A thicker intermediate layer of width ∼ O(M-1/2) separates the lefthand boundary layer and the dry outer region on the right, where both relaxation and unsteady diffusion participate in the transport. Matching the solutions at leading order specifies the moving front's speed, v: v ∼ M1/2. The analysis indicates that relaxation significantly affects the nearly dry region just ahead of the moving front. This disagrees with the widely accepted view that ordinary diffusion dominates in the nearly dry righthand region. Approximating that ordinary diffusion dominates in this region leads to a stepexponential concentration profile at the front and a simple analytical solution for the front speed, v with the correct M scaling. This approximate result accurately predicts the values of v determined by direct numerical solutions.
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  • 53
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    AIChE Journal 42 (1996), S. 2047-2056 
    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 solvatochromic dye phenol blue (N, N-dimethylindoaniline) is used to characterize the solvent strength (polarity) of the saturated liquid phase in a series of solvent-carbon dioxide binary mixtures. Data were obtained at 35 and 55°C and at pressures up to ∼70 bar. Five solvents were investigated - acetone, cyclohexane, methanol, THF, and toluene. The polarity of the liquid phase decreases significantly with increasing pressure due to the increasing carbon dioxide content of this phase at equilibrium. For example, the polarity of acetone saturated with carbon dioxide at 35°C and ∼60 bar is equivalent to the polarity of pure cyclohexane at ambient pressure. The local environment about the dye is significantly richer in the polar liquid component than the bulk composition would indicate. The degree of enrichment reflects concentration effects at low pressure, and both concentration and pressure effects at high pressure where the mixtures are highly compressible. The NRTL model of Renon and Prausnitz is able to predict these local compositions with reasonable accuracy except at CO2-rich conditions where compressibility effects are important.
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  • 54
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    AIChE Journal 42 (1996), S. 2057-2068 
    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 general theory is developed for the mechanical expression of agrofood, cellular materials. The so-called, Liquid-containing biporous particles expression model considers liquid transfer within a network of three different volumes: extraparticle, extracellular and intracellular volumes. The system of partial differential equations is solved for the expression under constant pressure, allowing calculation of the total layer settlement, as well as the deformation of extraparticle, extracellular and intracellular volumes. The model is able to predict the behavior of four different steps in the consolidation stage: the primary deformation and the creep deformation of extraparticle volume, and the deformation and deliquoring of both extracellular and intracellular volumes. The model is applied to the hydraulic pressing of rapeseeds. The theoretical model agrees well with experimental data for the overall range of pressing time.
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  • 55
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    AIChE Journal 42 (1996), S. 2036-2046 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: An improved set of all the thermodynamic and molecular properties required for the prediction of the existing 20 systems of Structure H (sH) hydrate phase equilibrium data is presented. The statistical thermodynamics model was based on the van der Waals and Platteeuw theory, and the spherical core Kihara potential was used for guest-water interactions. Optimized Kihara parameters and reference thermodynamic properties were derived from experimental data of over 20 sH hydrate forming systems. The model could fit all the existing sH hydrate data within an accuracy of ± 6%. Inhibitor predictions were also shown to fit recent data with no adjustable parameters. The feasibility of using hydrate cage occupancies to derive refined Kihara parameters of the guest molecules was investigated. Possible existence of sH hydrates at cryogenic temperatures was also established based on the model.
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    AIChE Journal 42 (1996), S. 2080-2083 
    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: 11 Ill.
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  • 57
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    AIChE Journal 42 (1996), S. 2087-2089 
    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: 3 Ill.
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  • 58
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    AIChE Journal 42 (1996), S. 2084-2086 
    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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  • 59
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    AIChE Journal 42 (1996), S. 2240-2250 
    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 methodology is presented to obtain approximate models from input-output data, particularly oriented to implement a model-predictive control scheme. Causal, time-invariant nonlinear discrete systems with a certain type of continuity condition called fading memory are dealt with. To synthesize the nonlinear model a finite-dimensional linear dynamic part (discrete Laguerre polynomials) is used, followed by a nonlinear nonmemory map (single hidden-layer perceptron). Results of the application to approximate and control a binary distillation column are presented.
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  • 60
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    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 42 (1996) 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 61
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    AIChE Journal 42 (1996), S. 2692-2697 
    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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  • 62
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    AIChE Journal 42 (1996), S. 2699-2700 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 63
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    AIChE Journal 42 (1996), S. 2701-2712 
    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 general computational approach is presented for numerical modeling of viscous flow in baffled, impeller-stirred-tank reactors. A multiblock, body-fitted grid structure facilitates modeling of various impeller and baffle designs, and a new procedure offers averaged velocity data from a complex 3-D CFD dataset. Impellers are modeled precisely, eliminating the need for inputting experimental velocity data for boundary conditions. The method can be used quickly to obtain extremely detailed flow computations at a fraction of the cost of computing unsteady moving grid solutions. A steady-state computational approach that neglects the relative motion between impeller and baffles yields numerical results comparably accurate to full unsteady computations for laminar flow at a fraction of the time and expense. The approximate steady-state method is used to predict power requirements of a Rushton turbine in laminar flow.An unsteady, moving grid technique provides time-accurate solutions for the flow inside an impeller-stirred reactor with side-wall baffles. These computed results are compared with those using the approximate steady-state method and with experimental measurements. The unsteady, moving grid method uses two different initial conditions: one starting from rest and the other starting from an approximate steady-state solution obtained at the starting position of the impeller relative to the baffles. For unsteady simulations of laminar flow in stirred vessels, the final operating condition can be achieved much more efficiently if the solution obtained from the steady-state procedure is used as an approximate initial condition.
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    AIChE Journal 42 (1996), S. 2721-2728 
    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 this study, Multimode boiling on a straight pin is theoretically investigated. Axial steady-state temperature distributions along the fin are numerically evaluated, as well as their linear stability characteristics. When film and transition boiling coexist on the fin surface, or only the transition boiling covers the entire fin, the operation remains stable only if the fin length is less than some critical value. When transition and nucleate boiling coexist on a fin, or the fin is in the three-mode boiling (film + transition + nucleate boiling), the entry of nucleate boiling at the fin tip stabilizes the boiling process. This study on base heat flow and fin efficiency with the stability criteria also suggests a new fin design methodology.
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  • 65
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    AIChE Journal 42 (1996), S. 2761-2764 
    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 this article, rigorous mathematical analysis is used to prove that the necessary condition for multiple steady-state solutions to exist in two-stage separation process problems involving ternary mixtures is the tendency of the mixture to exhibit a second liquid phase. The unrealistic solution multiplicity that exists in these problems, when phase splitting is not included in the model equations used to solve them, vanishes when phase splitting is included. The standard specification of reflux ratio and bottoms flow rate has been investigated.
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  • 66
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    AIChE Journal 42 (1996), S. 2743-2760 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: High-purity distillation columns are typically difficult to control because of their severely nonlinear behavior reflected by their sharp composition and temperature profiles. The dynamic behavior of such a column, as characterized by the movement of its sharp profile, was elucidated by a nonlinear wave theory established previously. With binary alcohol mixtures, this study provides an experimental observation of such wave-propagation dynamics of a 40-tray stripping column and a 50-tray fractionation column in response to step disturbances of feed composition, feed flow rate, and reboiler heat supply. Our experimental results have verified that the sharp profile in a high-purity column moves as a constant-pattern wave and that the nonlinear wave theory predicts its velocity satisfactorily with very simple mathematics. Our results also demonstrate the asymmetric dynamics of the transitions between two steady states.
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  • 67
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    AIChE Journal 42 (1996), S. 2765-2772 
    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 process for carrying out simultaneous reaction and separation of desired products in a single unit operation is described. It uses a fixed packed column of an admixture of a catalyst and a sorbent that selectively removes a reaction by-product from the reaction zone. The sorbent is periodically regenerated by using the principles of pressure-swing adsorption. The process steps allow direct production of the desired product at high purity and at the reaction pressure. High conversion of the reactants to products in an endothermic, equilibrium-controlled reaction can be achieved while operating the reaction at a substantially lower temperature than would be necessary by a plug-flow reactor packed with the catalyst alone. The equilibrium-controlled reverse water-gas shift reaction for the production of carbon monoxide is experimentally evaluated as a proof of the concept.
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  • 68
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    AIChE Journal 42 (1996), S. 2729-2742 
    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 investigation is presented of the convection-diffusion of model nonspherical solutes in shear flow over a plane wall. The analysis proceeds by formulating the underlying configuration-space Brownian transport equation for the distribution over accessible positions and orientations. Geometrical constraints are imposed via boundary conditions preventing wall penetration, and some of the calculations incorporate hydrodynamic interactions with the wall. The analysis is brought to fruition by regular perturbation expansion in the rotary Péclet number, and solution of the resultant boundary-value problems by a Galerkin technique. Three specific mechanistic conclusions result from the analysis. First, steric constraints imposed by the wall impedes the shear-induced solute alignment (producing a more nearly uniform distribution over orientations relative to the unbounded-fluid case) near the wall. Second, although the first effect of flow is to counteract the equilibrium depletion of solute centers near the wall, flow reinforces this depletion at higher order in the shear rate. Third, solute-wall hydrodynamic interactions act to strengthen the shear-induced solute alignment near the wall. This last phenomenon occurs because hydrodynamic wall effects significantly decrease the rotary diffusivity, but have little effect on the angular velocity, thereby locally increasing the effective rotary Péclet number (the effective flow strength). Correspondingly, solute-wall hydrodynamic interactions reinforce the flow effects on the near-wall depletion just noted. Steric and hydrodynamic wall effects typically are of order 15-20% near the wall.
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  • 69
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    AIChE Journal 42 (1996), S. 2911-2925 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: To study runaway behavior in autoclave low-density polyethylene (LDPE) reactors, a kinetic model for a perfectly stirred tank reactor is presented. The kinetic model not only includes the standard initiation, propagation, and termination reactions for polymerization, but it also has free radical reactions that describe the decomposition of ethylene ultimately leading to a runaway. Dynamic simulation of the model indicates runaway behavior for the following conditions: excess initiator in feed; feed impurity; feed temperature disturbance; controller failure; and poorly tuned controller. Operating strategies such as mixed initiator feeds and grade transitions are also explored from a dynamic view. Stability analysis indicates safe operating limits for certain variables at typical conditions. The model provides useful insights for preventing runaway reactions in LDPE autoclaves.
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  • 70
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    AIChE Journal 42 (1996), S. 2993-2994 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 71
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    AIChE Journal 42 (1996), S. 3020-3029 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: An oriented submicron silicalite membrane has been prepared by growing a layer of oriented silicalite crystals on a composite precursor nanocrystalline silicalite/alumina film using controlled secondary growth. The orientation of the crystals at the surface was such that both straight and sinusoidal channel networks run nearly parallel to the membrane surface. The membrane exhibits ideal selectivities for H2 over N2 as high as 60 at 150°C and O2 over N2 as high as 3.6 at 185°C. H2, N2 and O2 permeances are 2.13, 0.05 and 0.17 cm3(STP)/(cm2·min·atm) at 185°C, respectively, and the corresponding apparent activation energies are 11, 26 and 32 kJ/mol. The permeation characteristics are attributed to the preferred orientation of the molecular sieving layer.
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    AIChE Journal 42 (1996), S. 538-546 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Nuclear magnetic resonance (NMR) spin-lattice relaxation measurements are used to investigate pore structures and fluid phase distributions in porous media. A new method for estimating relaxation time distribution functions from measured relaxation data is presented using a B-spline basis to represent the distribution function and Tikhonov regularization to stabilize the estimation problem. Surface relaxivity, which is required to convert relaxation time distributions to pore-size distributions of fluid phase distributions at partial saturations, is determined using pore volume-to-surface-area ratios estimated by NMR diffusion measurements. This approach was validated by analyzing certain model porous media with known pore volume-to-surface-area ratios. The method is demonstrated by determining pore-size and fluid phase distributions of sandstone and carbonate samples, as well as by comparing the pore-size distributions of chalk samples obtained by this methodology with those estimated by mercury porosimetry.
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    AIChE Journal 42 (1996), S. 547-561 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Emulsion liquid membrane separation processes remain excessively vulnerable to one or more of four major problems. Difficulties lie in developing liquid membranes that combine high levels of both stability and permeability with acceptably low levels of swelling and ease of subsequent demulsification for membrane and solute recovery. This article provides a new technique for simultaneously overcoming the first three problems, while identifying physical indications that the proposed solution may have little adverse effect on the fourth problem (demulsification) and may even alleviate it. Numerous benefits of optimized conversion of the membrane phase into suitable non-Newtonian form are identified, their mechanisms outlined, and experimental verifications provided. These include increased stability, retained (or enhanced) permeability, reduced swelling, increased internal phase volume, and increased stirrer speeds. The highly favorable responsiveness of both aliphatic and aromatic membranes to the new technique is demonstrated.
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    AIChE Journal 42 (1996), S. 562-570 
    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 generalized four-parameter quartic equation of state (EOS) proposed by Shah and coworkers (1992, 1994) was extended to polar fluids. To use the new generalized quartic EOS for polar fluids, only four characteristic properties of the pure compound are required - critical temperature, critical volume, acentric factor, and dipole moment. For nonpolar fluids, the previous equation is recovered and its superior performance for nonpolar fluids is retained. A new set of coefficients for polar fluids for the EOS was determined from multiproperty regressions using literature data for various physical and thermodynamic experimental properties of 30 pure compounds. These regressed coefficients, which are functions of the critical temperature, critical pressure, acentric factor, and the dipole moment of the fluid, were generalized. The accuracy of this equation of state is evaluated with the new set of regressed coefficients to predict thermodynamic properties of pure polar compounds, including vapor pressure, density, residual enthalpy, enthalpy of vaporization, and second virial coefficient. The capability and accuracy of this quartic equation of state are also compared with the well-known Peng-Robinson EOS.
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  • 75
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    AIChE Journal 42 (1996), S. 571-584 
    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 recently developed formalism for describing the solute-induced effect in dilute near-critical mixtures is extended to fluids composed of anisotropic molecules through the statistical mechanical interpretation of the derivative (∂P/∂x2)T,p∞ whose critical value is the Krichevskii parameter.Rigorous expressions for Henry's constant and the solute distribution factor along the orthobaric curve are derived in terms of the volumetric and entropic solute-induced local effects, and the quasi-linear behavior of their orthobaric density dependence away from the solvent's critical point is rationalized.The formalism is illustrated with integral equation calculations of the orthobaric density dependence of several solvation thermodynamic quantities for an infinitely dilute volatile solute in near-critical solutions of hard-sphere Yukawa fluids.
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  • 76
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    AIChE Journal 42 (1996), S. 595-598 
    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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  • 77
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    AIChE Journal 42 (1996), S. 638-648 
    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 full Navier-Stokes equations were employed with a single-fluid model and a front tracking scheme to study a large cylindrical bubble in a free shear layer. A general formulation based on work by Auton et al. of the hydrodynamic forces on a finite Reynolds number large bubble in an unsteady, nonuniform and rotational flow was then used to investigate the effects of nonlinear spatial and temporal gradients on dispersion. The resulting bubble dispersion in the full Navier-Stokes solution significantly differ from that by a conventional bubble dynamic equation based on linear spatial gradients and quasi-steady flow. This was due to the adjunct forces not accounted for by such a formulation, which are related to regions of high nonuniformity and unsteadiness. These adjunct forces in the drag/lift direction were correlated with rapid variations of relative bubble velocity and high gradients of the liquid velocity.
    Additional Material: 10 Ill.
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  • 78
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    AIChE Journal 42 (1996), S. 623-637 
    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 evolution of a film with insoluble surfactant on a wavy horizontal wall differs from flow without surfactant (the way it usually is studied) in that the film passes through different stages. The first stage is as if the surfactant were absent. Once the surface tension gradient - induced by the nonuniform surfactant concentration adsorbed at the free surface - starts resisting the flow effectively, the evolution enters a transitional stage. A final stage is reached once the free surface becomes rigid due to the surface-tension gradient (high elasticity limit) or becomes virtually leveled before the surface-tension gradient is released (low elasticity limit). The velocity profile through the film changes with time, sol fluid is depleted or accumulated at different strata in the film as the flow evolves. The velocity profile and resulting deformations throughout the film can be influenced significantly by the viscosity distribution or stratification, which occurs, for example, when multiple layers of different viscosity are coated simultaneously. A model and applications for the leveling of such a film are presented. The evolution is described in general terms for a film of uniform viscosity and for a film of two discrete layers of different viscosity. Then the three limiting cases are established. For two of these limits, the effect on the exponential decay rate of the flow and the deformation of the different strata or layers is examined when the viscosity is changed in an infinitesimally thin layer or stratum, and in a layer of finite thickness in films of two and three discrete layers.
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  • 79
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    AIChE Journal 42 (1996), S. 613-622 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Deterministic cross-stream migration of FENE dumbbells, cyclic trimers and bicyclic tetramers in nonhomogeneous, nonrectilinear flows representative of tortuous pores is analyzed. Identifying the crucial feature of misalignment between a tumbling dumbbell and the surrounding streamlines, Brunn (1983) showed that the dumbbell model requires three reflections in the bead-bead hydrodynamic interaction (HI) for lateral migration to occur: lower-order approximations of the HI are insufficient because they lead only to alignment with the flow rather than tumbling. In any orientation the trimer (tetramer) has at least two (three) “bonds” out of alignment with the flow. Radial migration in rotary Couette flow between concentric cylinders occurs in the freely draining limit, and the simplest, first-order HI is sufficient to cause lateral migration in rectilinear tube flow. Flow through a sinusoidally corrugated pore brings a new convective timescale on which the bead-spring entity moves between converging and diverging flow environments. Since this process outpaces the dumbbell's alignment, even a freely draining dumbbell spends most of its time slightly misaligned with the surrounding streamlines, and migrates toward the walls (higher shear). Tumbling occurs on a much longer timescale, with the dumbbell traveling through many wavelengths of the wall corrugations (and fluctuating in orientation) between successive (rapid) end-for-end flips in the shear field. The flipping time seems to scale inversely with the length of the dumbbell. The trimer and tetramer rotate largely as in rectilinear shear, and exhibit somewhat stronger migration for the same bond length. As a simple model of pore entrance effects, net drift in an oscillatory Sampson flow through a thin orifice is also considered.
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  • 80
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    AIChE Journal 42 (1996), S. 649-659 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Drop breakup mechanisms inside a cavity flow are presented for two immiscible fluids. Due to the nonuniform flow condition of the cavity, the breakup mechanism varied along the streamlines. The streamlines were characterized by stream zones A and B, where zone A possessed a methodical transient breakup governed by Tomotika's breakup via capillary instabilities, and the breakup mechanism of stream zone B consisted of tip streaming breakup, an inefficient breakup mechanism. The flow behavior near flight region had a significant role in the drop breakup mechanisms. The study of the evolution of drop dispersion showed that the matrix viscosity is critical in controlling the transient breakup process and that the shear rate increase had little or no effect on the drop breakup.
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  • 81
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    AIChE Journal 42 (1996), S. 660-670 
    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 expansion behavior and structural phenomena of fluid-particle systems was simulated using a method analogous to the Monte Carlo method for molecular systems. Individual particles are moved, and the resulting moves are accepted or declined based on the change in the system's potential energy and the average kinetic energy of the system. Several fluid-particle systems have been successfully predicted with the model including colloidal particle concentration profiles and random packing of uniform spheres. Additionally, predictions of steady-state fluidized-bed expansion characteristics for uniformly sized stainless-steel spheres and narrowly distributed nickel and glass spheres show excellent agreement with the theoretical model used in the simulation and satisfactory agreement with experimental data. Dynamic expansion predictions of both bed height and overall bed structure as a function of time also agree with the experimental data.
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  • 82
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    AIChE Journal 42 (1996), S. 96-130 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Recent and ongoing research in the distillation of nonideal mixtures is reviewed focusing on advances in the methodologies for the synthesis, design, analysis and control of separation sequences involving homogeneous and heterogeneous azeotropic towers. Maps of residue curves and distillation lines are examined, as well as geometric methods for the synthesis and design of separation sequences, trends in the steady-state and dynamic analysis of homogeneous and heterogeneous towers, the nonlinear behavior of these towers, and strategies for their control.Emphasis is placed on the methods of computing all of the azeotropes associated with a multicomponent mixture, on the features that distinguish azeotropic distillations from their zeotropic counterparts, on the potential for steady-state multiplicity, and on the existence of maximum and minimum reflux bounds. Important considerations in the selection of entrainers are examined. For the synthesis of separation trains, when determining the feasible product compositions, the graphical methods are clarified, especially the conditions under which distillation boundaries can be crossed and bounding strategies under finite reflux. The application of geometric theory to locate the fixed points, at minimum reflux, is reviewed in connection with homotopy-continuation algorithms for this purpose. The use of homotopy-continuation algorithms, especially for the steady-state simulation of heterogeneous azeotropic distillations, is justified. Methods for phase stability analysis are reviewed in connection with the location of real bifurcation points at phase transitions, an important feature of algorithms for the dynamic simulation of heterogeneous azeotropic distillations.
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  • 83
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    AIChE Journal 42 (1996), S. 777-790 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Most advanced control applications rely on good dynamic process models. The performance of the control system depends on the accuracy of the model used. Typically, such models are developed by conducting off-line identification experiments on the process. These identification experiments often result in input-output data with small output signal-to-noise ratio, and using these data results in inaccurate model parameter estimates. Prefilters are used to separate useful information from the noise in the input-output data and to improve parameter estimates. A systematic design procedure for selecting a prefilter using discrete wavelet transforms is presented. The design procedure provides explicit information on the compromises in prefilter design, interpreted in terms of parameter variance and bias. The prefilter design procedure is then applied to identify a second-order output error model.
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  • 84
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    AIChE Journal 42 (1996), S. 301-318 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Experiments conducted quantify the macroscopic hydrodynamic characteristics of various scale 2-D bubble columns, which include dispersed and coalesced bubble regimes characterized by two flow conditions (4- and 3-region flow) with coherent flow structures. Hydrodynamic behavior is analyzed based on flow visualization and a particle image velocimetry (PIV) system. Columns operated in the 4-region flow condition comprise descending, vortical, fast bubble and central plume regions. The fast bubble flow region moves in a wavelike manner, and thus the flow in the vicinity of this region is characterized macroscopically in terms of wave properties. In columns greater than 20 cm in width, the transition from the dispersed bubble flow regime to the 4- and then to 3-region flow in the coalesced bubble regime occurs progressively with gas velocities at 1 and 3 cm/s, respectively. The demarcation of flow regimes is directly related to measurable coherent flow structures. The instantaneous and time-averaged liquid velocity and holdup profiles provided by the PIV system are presented in light of the macroscopic flow structure in various 2-D bubble columns. Numerical simulations demonstrate that the volume of fluid method can provide the time-dependent behavior of dispersed bubbling flows and account for the coupling effects of pressure field and the liquid velocity on the bubble motion. Comparison of computational results with PIV results for two different bubble injector arrangements is satisfactory.
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  • 85
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    AIChE Journal 42 (1996), S. 1101-1107 
    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 development of composites with self-diagnostic capabilities is based on the analysis of a mathematical model of the structure. The method is illustrated for a vibrating cantilevered plate and analyzed considering damping. Damage is modeled as an elastic joint, and the spectrum of natural frequencies is calculated for different positions and magnitudes of the elastic joint. Small sensors consisting of tungsten filaments coated with ZnO are embedded in the plate, and their output is modeled. The solution of the inverse problem depends on the position and extent of damage which can be uniquely solved if the system is not overdamped with respect to the primary frequency. Higher modes have a decreasing contribution to the signal output; when the primary mode is overdamped, only the secondary frequency can be detected reliably. The solution to the inverse problem is no longer unique; there are as many as three different solutions (damage position and extent of damage) all of which produce the same signal output.
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  • 86
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    AIChE Journal 42 (1996), S. 383-390 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Multiple diffusion reactions are frequently encountered in the modeling of heterogeneous catalytic reactors. Obtaining an accurate estimate of the yield and selectivity in such reactions is crucial for an optimal design of reactors. Due to the inadequacy of analytical techniques in handling nonuniform catalyst shapes and mixed boundary conditions, numerical techniques are often employed to compute these design parameters. Among other numerical techniques, the boundary element method (BEM) is a superior method to solve linear diffusion reaction problems. The integral nature of the BEM formulation allows for boundary-only discretization of the particle, thus reducing the computer execution time and the data preparation effort. A boundary element algorithm is developed to solve a network of linear diffusion reactions in porous catalyst particles in two dimensions. For this purpose, a matrix of fundamental solutions is defined and derived. The developed algorithm is applied to complex reaction networks to obtain the yield of intermediates for nonregular catalyst shapes and nonuniform boundary conditions. The method can be used as a design tool to study particle scale modeling in detail and can be incorporated into an overall reactor model.
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  • 87
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    AIChE Journal 42 (1996), S. 405-408 
    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 range of small, medium and large pore zeolite, and their modified forms are studied for their ability to separate di- from monobranched isomers of hexane. The separation studies are carried out using high-temperature (250-350°C) gas chromatography. Beta(H,Ba) is found to be the most effective separator of 2,3-dimethylbutane and 3-methyl-pentane and is therefore studied for its sorption capacities toward the two hexane isomers.
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  • 88
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    AIChE Journal 42 (1996), S. 422-430 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Activated carbon was impregnated with a metal halide, and adsorption and desorption characteristics of CO on the carbon were measured by fixed-bed runs. It was found that the impregnation of PdCl2 or CuCl effectively increases CO absorption. PdCl2/CuCl-impregnated carbons were characterized by N2 adsorption, SEM, EPMA, and XPS. Adsorption isotherms of CO were also measured on these carbons, and the influence of the loading of impregnant on CO adsorption was experimentally elucidated. A selection procedure of impregnant was proposed based on the frontier orbital theory. The perturbation energy for molecular orbital mixing was estimated by the HOMO - LUMO interaction. CO adsorption on impregnated carbons was qualitatively interpreted using the perturbation energy, and the energy was regarded as an index of impregnant selection.
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  • 89
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    AIChE Journal 42 (1996), S. 791-808 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Modeling of and experiments with heat storage in regenerators packed with phase-change material (PCM) are discussed, as well as the second-law thermodynamic efficiency for the ideal phase-change regenerator (PCR). An algorithm to solve the coupled partial differential equations for heat transfer and storage in the PCR on the bed scale and on the PCM scale is presented. The bed is discretized via the tanks-in-series approximation. The PCM scale is solved by orthogonal collocation applied to the equations, transformed to immobilize the melt/solid interface and eliminate the effect of spherical geometry. Parametric studies show the effects of specific dimensionless groups. A novel PCM consisting of n-octadecane retained by capillary forces in a porous silica support is used in a lab-scale PCR to verify the model. It visually changes from opaque to semi-transparent when the wax melts, thereby allowing the melt front within the bed to be tracked. Experiments with heated or cooled CO2 passing through the PCR are described. The measured outlet temperature compares qualitatively with model predictions. The model quantitatively predicts melt front movement in the first 60% of the bed. Discrepancies between the model and experiments are linked to significant heat losses.
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  • 90
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    AIChE Journal 42 (1996), S. 809-819 
    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 general theory for the adsorption of self-associating molecules in microporous structures is developed. The approach is similar to the “chemical” interpretation of nonideality of vapor and liquid phases. The theory displays Type 5 isotherm behavior and can explain Types 1 and 5 transition. Isothermal data are represented by only three parameters: Henry's law constant, saturation capacity, and reaction constant for “cluster” formation in the micropores. When isotherms at different temperatures are available, the theory can be used with five temperature-independent parameters to describe the entire phase behavior including the heat of adsorption. Water adsorption on activated carbon, the most common display of Type 5 behavior, is used to test the theory. Analysis of several data sets indicates that the theory can closely correlate data, provide physically meaningful parameter values in line with carbon properties, and it is highly effective in correlating temperature variation. The reaction enthalpy for water dimerization in the carbon micropores is lower than that in vapor phase. This preliminary conclusion with the theory needs to be supported with more accurate data when available.
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  • 91
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    AIChE Journal 42 (1996), S. 820-828 
    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 new application of nuclear magnetic resonance imaging (MRI) techniques for characterizing fractures and flow in fractured media is investigated. Specifically, a relaxation-weighted imaging technique is used for selectively highlighting either fracture or porous matrix regions. Many advantages over conventional spin-density MRI techniques for characterizing fractured media are demonstrated. Its use to speed image acquisition is also demonstrated. In addition, a multislice profile imaging technique is used to investigate imbibition and drainage displacement experiments in fractured porous media. These images demonstrate that the fractures can have profound effects on the fluid distributions in multiphase flow.
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  • 92
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    AIChE Journal 42 (1996), S. 829-836 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Many living organisms store iron in solid form, Fe(III), as a crystal in the inner cavity of the ferritin molecule. When iron is needed for biosynthesis, a reducing agent reduces Fe(III) into the soluble form Fe2+ released by ferritin. Crystallization and release processes are reversible, and their rates evolve in an identical way as a function of the number n of iron atoms in the molecule. The rate increases with n, showing a maximum value when n is approximately 1,300, and then stabilizes for the highest values of n, which can reach 4,500. On the other hand, plotting the amount of released iron as a function of time gives curves with a sigmoid shape. The proposed model was based on the theoretical description of different steps involved in crystal growth inside the protein shell: several independent crystals grow freely at the inner protein wall, and then a distribution function takes into account possible overlapping of different crystallite clusters, whose further growth is limited by diminution of the available space inside the cavity. The kinetics derived was then used to calculate the release curve as a function of time. Solving the system of differential mass-balance equations was simplified by describing the ferritin population as a large discrete distribution of species. The model fully fitted and explained the variation in the crystallization rate with n, and the sigmoid shape of the release curve as a function of time obtained experimentally in a thin-layer electrochemical cell.
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  • 93
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    AIChE Journal 42 (1996), S. 837-849 
    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 group-contribution lattice-fluid equation of state (GCLF-EOS), which is capable of predicting the equilibrium properties of polymer-solvent solutions, was developed by modifying the original GCLF-EOS of High and Danner. The GCLF-EOS is a group-contribution form of the Panayiotou-Vera equation of state based on the lattice-hole theory. Group contributions for the interaction energy and reference volume were developed based only on the saturated vapor pressure and liquid densities of low molecular weight compounds. For a mixture, a binary interaction parameter was introduced into the mixing rules. Group contributions for the binary interaction parameter were developed from the binary vapor-liquid equilibria of low molecular weight compounds. This modified GCLF-EOS model gives excellent predictions of solvent activity coefficients both at infinite dilution and at finite concentrations. It is significantly better than the original GCLF-EOS model in its prediction capability. The only input required for the model is the structure of the molecules in terms of their functional groups. No other pure component or mixture properties of the polymer or solvent are needed.
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  • 94
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    AIChE Journal 42 (1996), S. 861-875 
    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 primary constituent in high-temperature (120-140°C) milk fouling residues is calcium phosphate in the form of calcium phosphate dihydrate (brushite, CaHPO4 · 2H2O) and hydroxyapatite [Ca5(PO4)3OH]. The removal of these mineral-rich deposits from stainless steel occurs by dissolution and mechanical cleaning. This research uses a novel solid scintillation technique to noninvasively and continuously investigate the removal of P32-labeled mixtures of calcium phosphate from inner surface of stainless steel tubes. The proposed mass-transfer model suggests that the film is initialy removed by dissolution, when compared to the experimental results. An alternative first-order model presented includes the effects of the solvent flow rate and solvent pH on decontamination rates. This model agrees with the experimental cleaning data over the range of pH and flow rates studied.
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  • 95
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    AIChE Journal 42 (1996), S. 503-515 
    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 safeguarding methodology of chemical plants is usually based on controlling the instantaneous values of process state variables within a certain operating window, the process being brought to shutdown when operating constraints are exceeded. This method does not necessarily prevent chemical reactors suffering from a runaway during dynamic operations because (a) excessive amounts of unreacted chemicals can still accumulate in the process, and (b) no means are provided to the operating personnel to identify hazardous process deviations. A model-based startup and safeguarding procedure is developed for an industrial adiabatic tubular reactor to improve process safety during startup. The trajectories of manipulated variables are calculated by minimizing the amount of one of the main reactants in the reactor effuent. It is concluded that proper control of the initial reactor temperature profile is critical for a safe startup while the impact of other manipulated variables is relatively smaller than that of the initial reactor temperature profile.
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  • 96
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    AIChE Journal 42 (1996), S. 516-523 
    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 one-sided single-pellet dynamic technique introduced in this article is shown to be a very effective and simple method for the analysis of adsorption and diffusion in porous solids. Moment expressions are presented for reversible and irreversible adsorption processes. Since the adsorption equilibrium constant is the only unknown parameter in the first moment expression, this parameter can be evaluated from a single set of pulse-response experiments. This technique to evaluate the adsorption equilibrium constant is illustrated using ethylbromide as tracer. It is also shown that for a very strongly adsorbing tracer, such as 1,2-dichloroethane in soil, modified moment expressions derived with a semiinfinite boundary condition are necessary unless a criterion developed in this work is satisfied.
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    AIChE Journal 42 (1996), S. 524-531 
    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 effect of high levels of coke deposit on catalyst properties and mass transport through the pores space was studied using commercial catalysts, Pt-Al2O3 and Ni-Mo-Al2O3. Changes in porosity, pore-size distribution and internal surface area of several aged catalysts were compared to those of fresh catalyst. Effective diffusivity was also measured by pulse chromatography. For Pt-Al2O3, which shows a high initial porosity (0.93) and a relative high mean pore radius (300 Å), catalyst properties remain unchanged while coke content increased. For the Ni-Mo-Al2O3 catalyst (with initial porosity of 0.53 and mean pore radius of 50 Å), however, with an increase of 15% in coke content, isolated void regions appear, and porosity, internal surface area and effective diffusivity decrease sharply. Pore and stochastic models were used to interpret the effective diffusivity experimentally measured. A structural parameter in each case, tortuosity factor in pore models, and coordination number in the percolation model were calculated. When coke produces significant changes in catalyst morphology, the tortuosity factor almost doubles its initial value for a coke content of 20%. On the contrary, the percolation model seems to predict changes accurately in porosity, mass trasport coefficient, and an isolated prosity growing from the coordination number matched for a fresh catalyst.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 98
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
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  • 99
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 42 (1996), S. 2415-2425 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Drying of polymeric coatings often occurs under conditions where the relaxation time of polymer molecules is significant with respect to the processing time scales. The nonequilibrium thermodynamic theory of Durning and Tabor (1986) is applied to model 1-D drying of viscoelastic solutions with concentration-dependent physical properties. Transport of solvent to the surface of the coating occurs by viscoelastic diffusion down the gradient of a diffusion potential with a relaxing, nonequilibrium contribution. Galerkin's method with finite-element basis functions and a differential/algebraic equation system solver enable efficient solution of this stiff nonlinear model. Predictions show that elasticity enhances diffusion within the coating. At high Deborah numbers, however, a fall in the surface activity slows the rate of desorption. The coating thickness after a specified time under fixed total driving force is the smallest at intermediate Deborah numbers, showing that a small amount of viscoelasticity actually aids in drying. This can be interpreted as a skinning effect.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
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  • 100
    Electronic Resource
    Electronic Resource
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 42 (1996), S. 2467-2475 
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: To account for the effect of condensation heat on the condensation coefficient (α), a semiempirical model is proposed. The model contains two free parameters: a characteristic size of the “hot spot” where the heat release occurs and its lifetime. At reasonable values of the parameters, the model agrees well with experimental and computer-simulated data for both simple and associating liquids. For nonequilibrium conditions, the model leads to the Hertz-Knudsen equation with α dependent not only on characteristics of the liquid but also on those of ambient vapor. This offers an explanation for the existing scattering of experimental data in α. Among other things, the expression for α obtained shows that for the net evaporation process α is always higher than that for the net condensation, and moreover, α = 1 for all liquids if evaporation occurs in vacuum. The model also indicates that for complex associating liquids like glycerol α may be quite sensitive to peculiarities of the liquid state under consideration.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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