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  • 1995-1999  (888)
  • 1985-1989
  • 1975-1979
  • 1995  (888)
  • Chemical Engineering  (730)
  • crystal structure  (158)
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  • 1995-1999  (888)
  • 1985-1989
  • 1975-1979
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  • 1
    Electronic Resource
    Electronic Resource
    α-Iminohydroxylamine-α-aminonitrone tautomerism: a 1∶1 mixture of two tautomeric forms in crystals of N-(4,5-dihydro-1H-imidazol-2-yl)-N-phenyl-hydroxylamine (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 813-821 
    Details
    ISSN: 1572-8854
    Keywords: Tautomerism ; hydrogen bonding ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Crystals consisting of two distinct chemical entities, tautomers of each other, in exact 1∶1 ratio, have been obtained and their structure determined by X-ray analysis. The crystals of C9H11N3·C9H11N3 are monoclinic,P21/c,a=15.674(3),b=17.085(3),c=13.758(3)Å, β=90.78(2)°,Z=8. There are two hydroxylamine and two aminonitrone molecules in the asymmetric unit. Hydrogen bonds connect those molecules into chiral layers. Layers of opposite chirality alternate andthe crystal is centrosymmetric as a whole. Within those layers chains of tautomers joined by very strong O−H... O and strong N−H... N bonds can be recognized. Proton transfer along those chains with simultaneous rearrangement of π-bonds within the molecules would result in interconversion of tautomers and would affect chirality of the layer.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01671076
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  • 2
    Electronic Resource
    Electronic Resource
    Dialkylimidazolium-sodium chloroaluminate ternary salt system: phase diagram and crystal structure (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 57-62 
    Details
    ISSN: 1572-8854
    Keywords: phase diagram ; buffered chloroaluminate ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The phase diagram of the buffered neutral aluminum chloride + 1-ethyl-3-methyl-1H-imidazolium chloride + sodium chloride (AlCl3-EMIC-NaCl) ternary melt system can be represented by a binary phase diagram composed of (EMI)AlCl4 and NaAlCl4. In the binary phase diagram, the salts are liquid at, or near, room temperature for a wide range of compositions. At the 1∶1 composition, the congruently melting compound (EMI)(Na)(AlCl4)2 with m.p.=36.7°C is formed. Crystals of this mixed organic-inorganic salt were grown for single crystal x-ray diffraction analysis. The compound crystalizes in the space group $$P\bar 1$$ with lattice parametersa=10.321(1) Å,b=10.895(3) Å,c=9.284(4) Å, α=98.31(2)°, β=100.83(4)°, γ=101.95(3)°. Data collected at −120°C gave final residuals ofR=0.037 andR w=0.045 using 2713 observed reflections. The packing diagram reveals Na+ ion zig-zag chains running along thea-axis with each Na+ surrounded by four AlCl 4 − units, reminiscent of NaAlCl4. The AlCl 4 − ions form a distorted square planar coordination sphere around Na+ at an average Na−Al distance of 3.76(4) Å. Using a sodium ionic radius of 1.16 Å, a new AlCl 4 − ionic radius of 2.60 Å is calculated. This radius is 0.21 Å shorter than the reported thermodynamic radius.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01667037
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  • 3
    Electronic Resource
    Electronic Resource
    Antifungal copyrine alkaloids: crystal structure of 3-methylsampangine (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 223-226 
    Details
    ISSN: 1572-8854
    Keywords: Antifungal alkaloids ; 3-methylsampangine ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract 3-Methylsampangine, C16H10N2O, crystallizes in the monoclinic space group P21/c witha=7.260(3),b=10.697(5),c=15.342(6) Å, and β=102.69(4). All nonhydrogen atoms of this potent antifungal agent are planar to within 0.082 Å. The title compound exhibits potentin vitro antifungal activity againstC. neoformans, C. albicans andA. fumigatus.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01665173
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  • 4
    Electronic Resource
    Electronic Resource
    Crystal structure of decacalcium tetrapotassium hexakis (pyrophosphate) nonahydrate (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 219-222 
    Details
    ISSN: 1572-8854
    Keywords: Calcium phosphate ; calcium pyrophosphate ; calcium potassium pyrophosphate ; crystal structure ; layer-type structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of Ca10K4(P2O7)6·9H2O has been determined by single crystal X-ray diffraction. Crystals are hexagonal, space group P63cm witha=11.761(1),c=9.770(1) Å, andZ=1. The structure was refined toR=0.028 andR w=0.037 for 468 reflections withI≥3σ(I). The structure consists of a compact assembly of Ca and P2O7 ions arranged in layers perpendicular to thec-axis in a hexagonal array with relatively large open channels along thec-axis. The K ions and the water molecules are located in these open channels and are disordered.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01665172
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  • 5
    Electronic Resource
    Electronic Resource
    Unusual occurrence of photooxidation of a cage diol (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 295-298 
    Details
    ISSN: 1572-8854
    Keywords: Cage-diol ; crystal structure ; photooxidation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract An unusual photooxidation was noted upon photolytic cage closure of a substituted tricyclo[6.2.1.02.7]undecane-exo, exo-diol. The resultant compound, which may be regarded as a mono-reduced pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione, was characterizedvia X-ray crystallography. This species could be reduced to the tricyclo[6.2.1.02,7]undecane-endo, exo-diol under conditions previously shown to be inert for the parent dione.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01796053
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  • 6
    Electronic Resource
    Electronic Resource
    Crystal and molecular structure of 6,7-benzo-3,4 (1,4-dimethoxy-2,3-naphtho)-1,5-dioxosuberane (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 379-382 
    Details
    ISSN: 1572-8854
    Keywords: Benzonaphthodioxosuberane ; crystal structure ; radermachol
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of the title compound (2) C21H16O4 has been determined by an X-ray analysis, by direct methods from diffractometer data and refined by full-matrix least squares. The compound (2) crystallizes in the space group P21/a, with cell parameters:a=36.432(5),b=5.512(3),c=8.269(5) Å, β=108.0(3)°,z=4,D c =1.397 g/cm−3,R=7.8 for 1136 observed reflections. The conformation of the tetracyclic ring system shows a folding of two planar parts of the carbon skeleton about an axis passing thorough C8 and C16 of the seven membered ring C.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01665273
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  • 7
    Electronic Resource
    Electronic Resource
    Synthesis and structural characterization of [Au2Pd14(μ3-CO)7(μ2-CO)2(PMe3)11](PF6)2—An icosahedrally-based high nuclearity mixed metal cluster (1995)
    Springer
    Journal of cluster science 6 (1995), S. 71-91 
    Details
    ISSN: 1572-8862
    Keywords: Palladium ; gold ; cluster ; phosphine ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract [Au2Pd14(μ3-CO)7(μ2-CO)2(PMe3)11](PF6)2 has been synthesized from [Pd8(CO)8(PMe3)7] and AuCl(PCy3) in the presence of TIPF6. It has been characterised on the basis of mass spectrometry, infrared and NMR spectroscopy, and a single crystal X-ray diffraction study. The structure is based on a palladium-centered Au2Pd11 icosahedron which shares an edge with a Pd5 trigonal bipyramid.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01175837
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  • 8
    Electronic Resource
    Electronic Resource
    The synthesis and reactivity of the heptanuclear dianion [Os7(CO)20]2− including the synthesis and structural characterizations of the compounds [Os7(CO)20(AuPEt)3 2] and [Os8(CO)20(η6-C6H6] (1995)
    Springer
    Journal of cluster science 6 (1995), S. 163-173 
    Details
    ISSN: 1572-8862
    Keywords: Cluster carbonyl ; osmium ; gold ; arene ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract Reduction of the heptaosmium cluster [Os7(CO)21] With [Et4N][NH4) gives the cluster dianion [Os7(CO)20]2−,1, in high yield. The reaction of the dianion with [AuPR 3Cl] (R=Et or Ph) in the presence of TlPF6 forms [Os7((CO)20(AuPR 3)2] [R=Et (2a);R = Ph(2b)] in 80% yield, while the corresponding reaction with (Os(C6H6)(CH3CN)3]2+ gives [Os8(CO)20 (η 6-C6H6)] (3) in reasonable yield (ca. 30%). The dianion,1, and the clusters2 and3 have been fully characterized by bout spectroscopic and crystallographic methods. The crystal structure of the [Ph4P]+ salt of1 shows that the metals in the anion adopt a capped octahedral geometry, with all twenty carbonyl ligands in terminal sites. The metal core geometry in2a is best described as a tricapped octahedron, and is based on the structure of the dianion1 with two adjacent octahedral faces capped by the Au atoms of the two AuPEt3 groups. In a similar fashion, the geometry of3 is related to that of1 with the addition of an Os(C6H6) unit capped to a triangular face, to give a bicapped octahedral framework.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01175843
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  • 9
    Electronic Resource
    Electronic Resource
    Synthesis and characterization of the undecaosmium carbido carbonyl cluster: Crystal and molecular structures of [N(PPh3)2][Os11C(CO)27(μ-Cl)] (1995)
    Springer
    Journal of cluster science 6 (1995), S. 343-346 
    Details
    ISSN: 1572-8862
    Keywords: Undecaosmium carbido cluster ; µ-bridged chlorol preparation ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract A chloro-derivative of undecaosmium carbido cluster [Os11C(CO)27(µ-Cl)]-1 anion has been prepared and fully characterized by spectroscopic and crystallographic methods. The structure1 is an important intermediate for the conversion of [Os11C(CO)27]2 2 dianion to [OS10C(CO)24]2-3 dianion.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01169700
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  • 10
    Electronic Resource
    Electronic Resource
    Synthesis, chemical, and electrochemical characterization of the [Ag13{μ3-Fe(CO)4}] n− (n = 3, 4, 5) cluster anions: X-Ray structural determination of [N(PPh3)2]3 [Ag12(μ12-Ag){μ3Fe(CO)4}8]1 (1995)
    Springer
    Journal of cluster science 6 (1995), S. 107-123 
    Details
    ISSN: 1572-8862
    Keywords: Silver ; iron ; carbonyl ; cluster ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract The oxidation of the [Fe(CO)4]2− dianion with Ag+ salts occurs through a particularinner-sphere mechanism, which involves an intermediate cascade of silver clusters stabilized by Fe(CO)4 ligands. The last detectable Ag-Fe cluster of the sequence is the [Ag13{μ-Fe(CO)4}8]3− trianion, which has been selectively obtained by using ca. 1.7 equivalents of Ag+ per mole of [Fe(CO)4]2−. The [Ag13{μ-Fe(CO)4}8]3−- trianion has been isolated in a crystalline state with several quaternary cations, and has been characterized by X-ray diffraction studies of its bis(triphenylphosphine)iminium salt. [N(PPh3)2]3 [Ag13{μ 3-Fe(CO)4}8]·2(CH3)2CO, monoclinic, space group P21 (No.4),a = 16.284(2) Å,b =18.767(5) Å,c = 25.905(4) Å,β = 90.46(1)°,V = 7916(3) Å3,Z = 2,R = 0.0324. The molecular structure of the anion consists of a centered cuboctahedron of silver atoms with the triangular faces capped by Fe(CO)4 units. Chemical reduction of ( Ag13{μ 3-Fe(CO)4}8]3− affords the corresponding [Ag13{μ 3-Fe(CO)4)8]4−, which in turn gives [Ag13{μ 3-Fe(CO)4)8]5− and [Ag6{μ 3-Fe(CO)4}4]– upon further reduction. Electrochemical investigations confirm the reversibility of the [Ag13{μ 3-Fe(CO)4}8]3−/4− redox change. Furthermore, in spite of some electrode poisoning effects, evidence of the existence of the [Ag13{μ 3-Fe(CO)4}8]5− pentaanion was obtained. The yet structurally uncharacterized [Ag6{μ 3-Fe(CO)4)4]2− dianion is quantitatively obtained by reaction of [Fe(CO)4]2− with ca. 1.5 equivalents of Ag+ or by addition of one equivalent of Ag+ to solutions of the [Ag5{Fe(CO)4}4]3− trianion. All attempts to isolate its quaternary salts as crystalline materials failed owing to formation of amorphous insoluble precipitates. The above series ofμ 3-Fe(CO)4 octa-capped cuboctahedral Ag13 clusters can be envisioned as the Ag+ . Ag and Ag− cryptates of the [Ag12{μ}3-Fe(CO)4}8]4− cryptand. respectively.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01175839
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  • 11
    Electronic Resource
    Electronic Resource
    The synthesis and structural characterization of Os3(CO)8[Si(OMe)3][μ-PMe2(C6H4](μ-H)2: An unusual unsaturated triosmium cluster complex (1995)
    Springer
    Journal of cluster science 6 (1995), S. 437-447 
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    ISSN: 1572-8862
    Keywords: Osmium ; unsaturated cluster ; ortho-metallation ; siloxyl ligand ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract The reaction of Os3(CO)10(NCMe)[Si(OMe)3](μ-H),1, with PMe2Ph yielded the new complex Os3(CO)10(PMe2Ph)[Si(OMe)3](μ-H),2 by substitution of the MeCn ligand with the phosphine ligand. When heated to 125°C compound2 was decarbonylated and transformed into the new unsaturated cluster complex Os3(CO)8[μ-PMe2(C6H4)][Si(OMe)3](μ-H)2,3 in 54% yield. Compound3 was characterized by a single crystal X-ray diffraction analysis, osmium bonds. The phenyl ring of the phosphine ligand has undergoneortho-metallation by a neighboring metal atom. A terminally coordinated Si(OMe)3 ligand is coordinated to the third osmium atom. The cluster is unsaturated by the amount of 2 electrons, and there is an open coordination site on the siloxyl substituted osmium atom that is partially filled by a weak interaction with one of the π-bonds of theortho-metalled phenyl ring. Complex3 reacts with CO at 1 atm to reform compound2 in 85% yield in 5 h at 40°C. Crystal Data: for3: space group = P21/n,a = 9.911(2) Å,b = 18.451(6) Å,c = 14.872(2) Å,β = 95.64(2)°,Z = 4, 1994 reflections,R = 0.028.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01165472
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  • 12
    Electronic Resource
    Electronic Resource
    Doubly-bridged binuclear complexes of oxomolybdenum(V) and oxotungsten(V) containing sexadentate ligands (1995)
    Springer
    Journal of cluster science 6 (1995), S. 549-566 
    Details
    ISSN: 1572-8862
    Keywords: Molybdenum ; tungsten ; di-μ-oxo bridge ; sexadentate ligands ; asymmetric distortion ; stereoselectivity ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract Binuclear oxomolybdenum(V) and oxotungsten(V) complexes of the type, [M 2(O)2(μ-X)(μ-X 1)]”, where M=Mo, W;X.X 1=O, S; L=edta, pdta (n=2-), tpen, tppn (n=2+) (edta4– =ethylenediaminetetraacetate(4–), pdta=R- orR,S-propylenediaminetetraacetate(4–), tpen=N,N,N 1,N1-tetrakis(2-pyridyhnethyl)-ethylenediamine, and tppn=R- orR,S-N,N,N 1,N1-tetrakis(2-pyridylmethyl)-propylenediami ne) are reviewed with respect to their preparation, structure, spectroscopic properties, reactivities, and in particular asymmetric distortion around the bicyclo [4.1.1 ] type core and stereoselectivity related to this distortion,
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01165773
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  • 13
    Electronic Resource
    Electronic Resource
    Comparison of the crystal structure and molecular models of N,N-diisobutyl-2-(octylphenylphosphinyl)acetamide (CMPO) (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 43-49 
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    ISSN: 1572-8854
    Keywords: Molecular mechanics ; molecular dynamics ; MNDO ; CMPO ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of N,N-diisobutyl-2-(octylphenylphosphinyl)acetamide, or CMPO was recently determined. The compound crystallizes in the space group P21/c witha=13.446(6),b=22.280(7),c=17.217(7) Å, β=92.07(4)°, andD calc=1.05 g/cm3 forZ=8 @20°C). Molecular mechanics, molecular dynamics, and MNDO calculations were also performed on CMPO utilizing the SYBYL1 suite of programs. The results from these calculations are compared to the crystal structure and to similar calculations performed on CMPO using ALCHEMY2,3. In general, the results from the calculations agree fairly well with the parameters from the crystal structure.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01666193
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  • 14
    Electronic Resource
    Electronic Resource
    Mercury(II) complex with terpyridine: structure of the 2∶1 solvate of [Hg(terpy)2](CF3SO3)2 with acetone (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 453-458 
    Details
    ISSN: 1572-8854
    Keywords: Mercury(II) terpyridine complex ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract [Hg(terpy)2](CF3SO3)2·0.5(CH3)2CO crystallizes in the triclinic $$P\bar 1$$ space group witha=14.631(6),b=15.258(4),c=18.785(7) Å, α=69.66(2), β=70.72(1), γ=88.55(1)°. The crystal structure consists of two independent [Hg(terpy)2]2+ cations, four trifluoromethanesulfonate anions and an acetone molecule in the asymmetric unit. Each mercury atom is coordinated by two tridentate terpyridine ligands forming an irregular six-coordination polyhedron. The Hg−N bond lengths range from 2.27(2) to 2.53(2) Å.
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    URL: http://dx.doi.org/10.1007/BF01665700
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  • 15
    Electronic Resource
    Electronic Resource
    Crystal structures of twoN-substituted 2-thioxo-1,3-dithiole-4-carboxamides (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 463-467 
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    ISSN: 1572-8854
    Keywords: 1,3-dithiole-4-carboxamides ; resonance effect ; short intramolecular S...O contact ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The two closely related compoundsN,N-dimethyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide1 andN-(p-methoxy-phenyl)-N-methyl 5-(methylthio)-2-thioxo-1,3-dithiole-4-carboxamide2 have been characterized by X-ray crystal structure determination. Crystal data for1: triclinic, $$P\bar 1$$ ,a=6.767(1),b=12.594(2),c=6.648(1) Å, α=101.38(1), β=93.37(2), γ=79.62(1)°,V=546.2 Å3,Z=2. Crystal data for2: monoclinic, Cc,a=19.836(4),b=6.057(1),c=15.860(3) Å, β=127.61(3)°,V=1509.5Å3,Z=4. The molecular structures of1 and2 show remarkable differences concerning the conformational behavior. These differences are related to the nature of the substituents at the nitrogen atom. The presence of an aromatic system in2 leads to an almost planar arrangement of the α-oxoketene dithioacetal moiety. This effect is accompanied by a short intramolecular S...O contact of 2.648(2) Å. In the absence of an aromatic system, as is the case for compound1, neither a resonance effect along the α-oxoketene dithioacetal fragment nor a short S...O distance is observed.
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    URL: http://dx.doi.org/10.1007/BF01665702
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  • 16
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    Electronic Resource
    The crystal structure of a heterobimetallic crown ether complex: [Na(dibenzo-18-crown-6)][FeCl4] (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 579-582 
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    ISSN: 1572-8854
    Keywords: Dibenzo-18-crown-6 ; hetero bimetallic ; crown ether ; crystal structure ; ferric chloride
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Slow evaporation of a solution of ferric chloride and dibenzo-18-crown-6 in 3∶1 CH3CN∶CH3OH produced single crystals of the title complex. This heterobimetallic crown ether complex, [Na(dibenzo-18-crown-6)][FeCl4], crystallizes in the monoclinic space group P2t/n with cell parameters (at 22°C)a=14.608(6),b=10.466(9),c=17.276(9)Å, β=91.47(6)°, andD calc=1.46 g cm−3 for Z=4. The structure consists of discrete ions with the shortest Na ... Cl distance a lengthy contact of 3.56(1)Å. The average Na...O separation is 2.69(3)Å. The [FeCl4]− anion exhibits a distorted tetrahedral geometry with an average Fe−Cl bond length of 2.16(2)Å.
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    URL: http://dx.doi.org/10.1007/BF01667027
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  • 17
    Electronic Resource
    Electronic Resource
    Nucleophilic additions of primary and secondary amines to pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 633-640 
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    ISSN: 1572-8854
    Keywords: Amines ; crystal structure ; pentacycloundecane-8,11-dione
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structures of three compounds formedvia nucleophilic attack of a heterocyclic secondary amine on PCU-8,11-dione, with the concomitant intramolecular attack of one keto oxygen on the carbon of the other ketone, are presented. In all three compounds, the bridging oxygen contains substantial p-character, and the bonds to the “attacking” nitrogen are significantly shorter than would be expected.
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    URL: http://dx.doi.org/10.1007/BF01665969
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  • 18
    Electronic Resource
    Electronic Resource
    X-ray structure of sesterterpene, 16β-acetoxy-24-methyl-12,24-dioxoscalaran-25-al (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 765-768 
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    ISSN: 1572-8854
    Keywords: Sesterterpene ; scalaran ; crystal structure ; marine compound
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The molecular geometry of a tetracyclic sesterterpene has been determined by X-ray diffraction. The conformation of the aldehyde group as observed in the crystal structure supports the rationalization for the absence of aldehyde proton coupling in the nmr spectra of the compound. Crystal data: C28H42O5, M.W.=458.6; orthorhombic, P212121;a=10.797(2),b=29.270(9),c=8.033(1)Å,V=2538.7Å3,Dx=1.199 g cm−3;R=0.045 for 2287 observed reflections.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01670333
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  • 19
    Electronic Resource
    Electronic Resource
    Synthesis of a chiral calixarene: 5,11,17,23-tetra (tert-butyl)-25,27-bis[((+)-camphor-10-sulfonyl)-oxy]-calix[4]arene-26,28-diol: crystal and molecular structure of its (1∶2) complex with toluene (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 401-406 
    Details
    ISSN: 1572-8854
    Keywords: Calixarene ; complex ; crystal structure ; chirality
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound was obtained by treatment ofp-tert-butylcalix[4]arene with (+) camphorsulfonyl chloride in triethylamine and toluene. A (1∶2) complex with toluene has been found. Its structure has been determined by X-ray crystallography. Crystals are triclinic with space group P1,a=16.426(3),b=18.553(3),c=13.661(2) Å, α=94.78(2), β=110.76(2), γ=72.83(2)°,V=3720(2) Å3,d c =1.127 g/cm3 Z=2. Refinement based on 10495 observed reflections led to a finalR value of 0.100. The two independent molecules of calixarene in the asymmetric unit are in the cone conformation and the calixarene cavities are empty. The guest molecule occupies the interhost space. The norborane skelton of (+) camphorsulfonyl group is the same as ones found in literature. Only van der Waals interactions exist between the host and the guest molecules.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01665277
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  • 20
    Electronic Resource
    Electronic Resource
    Synthesis and structure of a seven electron triangular cluster complex [Mo3S4Cl3(dppe)2(PEt3] (1995)
    Springer
    Journal of cluster science 6 (1995), S. 523-532 
    Details
    ISSN: 1572-8862
    Keywords: Molybdenum ; reduction ; seven-electron triangular cluster ; bridging sulfide ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract The triangular six-electron cluster complex [Mo3S4Cl4(PEt3) x (thf)5] produced by the excision reaction of Mo3S7Cl4 with triethypholsphine is reduced by magnesium at − 20°C. Subsequent addition of dppe (=1,2-his(diphenylphosphino)ethane) to the reduced species affords a seven-electron triangular cluster complex [Mo3S4Cl3(dppe)2(PEt3)]. The complex crystallizes in the space groupCm witha=17.170(6),b-19.878(6),c = 13.289(5)β = 121.73(2)°,V = 3858(2) A3, andZ = 2. The structure shows an almost equilateral triangle of three molybdenum atoms capped by a Sulfur atom and bridged by three sulfur atoms. The Mo Mo distances, ranging from 2.804(1) to 2.809(1) A are elongated ca. 0.04 A as compared with lose of a six-electron cluster complex with drape ligands. Two molybdenum atoms have a chlorine and a dppe ligands, and the other molybdenum atom bas a chlorine and a triethylphosphine ligands. The UV-Vis spectrum has a characteristic broad hand centered at 1410 n m, which is not observed for six-electron clusters. The ESR spectrum indicates the presence of an unpaired electron consistent with the formulation of the compound as a seven-electron cluster.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01165771
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  • 21
    Electronic Resource
    Electronic Resource
    Linear and Nonlinear Optical Properties Of Racemic (±)2-(α-Methylbenzylamino)-5-Nitropyridine Single Crystals (1995)
    Springer
    Optical review 2 (1995), S. 128-131 
    Details
    ISSN: 1349-9432
    Keywords: organic crystal ; racemic form ; second-harmonic generation ; refractive index ; nonlinear optical coefficient ; crystal structure ; oriented-gas model
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Linear and nonlinear optical properties of racemic (±)2-(α-methylbenzylamino)-5-nitropyridine ((±)MBANP) single crystals have been comprehensively investigated and compared with those of the enantiomorph (–)2-(α-methylbenzylamino)-5-nitropyridine ((–)MBANP) crystals. (±)MBANP crystal exhibits very high chemical and physical stability, but relatively small nonlinear optical coefficients (d31 = 6.8 pm/V, d32 = 4.7 pm/V, d33 = 0.84 pm/V). A comparison between the nonlinear optical coefficients of (±)MBANP and (–)MBANP demonstrates the validity of the oriented-gas model in molecular crystals that neglects all the contributions from intermolecular interaction.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/s10043-995-0128-5
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  • 22
    Electronic Resource
    Electronic Resource
    The synthesis and X-Ray crystallographic analysis of a stable norbornadienone: 17-Oxo-7,16-methano-7,16-diphenylcyclopenta[d,e]tribenzo[a,h,j]anthracene (1995)
    Springer
    Structural chemistry 6 (1995), S. 167-173 
    Details
    ISSN: 1572-9001
    Keywords: MM3 ; PM3 ; MMX ; crystal structure ; norbonadienone ; distorted compound
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The reaction of 4,5-didehydroacenaphthene with phencyclone yields the title compound, a stable dibenzo-fused norbornadienone (8). The X-ray structure of8 is presented and compared with the structure predicted from a MM3, PM3, and a MMX calculation. Thermal decomposition of 8 produces, 7,16-diphenylcyclopenta[d,e]tribenzo[a,h,j]anthracene (9), a hydrocarbon that is computed to have a significantly twisted polycyclic aromatic skeleton with 19 kcal/mole of strain energy.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02286444
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  • 23
    Electronic Resource
    Electronic Resource
    Molecular Structure of 5-Methylchrysene-7,8-dihydro-7,8-trans-(e, e)-diol (1995)
    Springer
    Structural chemistry 6 (1995), S. 57-63 
    Details
    ISSN: 1572-9001
    Keywords: Hydrogen bonding ; carcinogen ; polycyclic aromatic hydrocarbon derivative ; dihydrodiol ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The crystal structure of the weak carcinogen 5-methylchrysene-7,8-dihydro-7,8-trans-(e,e)-diol is reported. This molecule contains a distorted bay region as a result of the presence of the 5-methyl group as found in 5-methylchrysene and 5,6- and 5, 12-dimethylchrysene. One torsion angle in this bay region is 20
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02263528
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  • 24
    Electronic Resource
    Electronic Resource
    Synthesis and structure of 13- and 26-membered crown ethers, derivatives of resorcinol (1995)
    Springer
    Russian chemical bulletin 44 (1995), S. 2353-2360 
    Details
    ISSN: 1573-9171
    Keywords: resorcinol-based crown ethers ; crystal structure ; intramolecular nonbonded C-H...O contacts
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract 13- and 26-Membered crown ethers have been synthesized based on resorcinol and 1,8-dichloro-3,6-dioxaoctane. The products with substituents in the benzene ring have been prepared by alkylation of 13-membered crown ether. Complexing properties of the macrocycles have been studied with the use of ion-selective membrane electrodes. The structures of 13- and 26-membered crown ethers have been established by X-ray structural analysis.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00713607
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  • 25
    Electronic Resource
    Electronic Resource
    Oxidation of 1-hydrazino-3,3-dimethyl-3,4-dihydroisoquinoline. X-ray, spectroscopic, and quantum-chemical study of the structure of 3,3-dimethyl-3,4-dihydroisocarbostyryl azine (1995)
    Springer
    Russian chemical bulletin 44 (1995), S. 2364-2370 
    Details
    ISSN: 1573-9171
    Keywords: dihydroisoquinoline derivatives ; crystal structure ; electronic, IR, and1H NMR spectra ; quantum-chemical calculation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract 3,3-Dimethyl-3,4-dihydroisocarbostyryl azine (2) has been synthesized by oxidation of l-hydrazino-3,3-dimethyl-3,4-dihydroisoquinoline (1). The crystal and molecular structures of compound 2 were determined. It has been established that in the solid state, compound2 exists as an azine tautomer. The IR, electronic, and NMR spectral data indicate that in solution the tautomeric form of2 does not change. A possible mechanism of the oxidation of1 to2 is suggested.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00713609
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  • 26
    Electronic Resource
    Electronic Resource
    Crystal Structure of 2-Debenzoyl, 2-Acetoxy Paclitaxel (Taxol®): Conformation of the Paclitaxel Side-Chain (1995)
    Springer
    Pharmaceutical research 12 (1995), S. 337-341 
    Details
    ISSN: 1573-904X
    Keywords: 2-debenzoyl, 2-acetoxy paclitaxel ; docetaxel ; paclitaxel side-chain ; crystal structure ; solid state conformation ; intramolecular hydrogen bonding ; intermolecular hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Crystals of the C2-acetate analog of paclitaxel, grown from a mixture of isopropyl alcohol and methanol, belong to the space group P2l with a = 9.058(3), b = 18.306(5), c = 15.043(1) Å, β = 97.09(1)°, Z = 2, V = 2475.1(9)Å3, D calc = 1.269 gcm−3 and µ = 0.75 cm−1. The structure was determined by direct methods and refined to R(F) = 0.054 and wR(F) = 0.057 for 605 variables and 3496 observed reflections. The paclitaxel side chain possesses a conformation similar to that observed in the crystal structure of docetaxel (Taxotere®). A three dimensional network of hydrogen bonds is formed through solvent molecules and stabilizes the crystal lattice.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1016236014766
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  • 27
    Electronic Resource
    Electronic Resource
    Structure ofp-tetrakis-(4-nitrophenylazo)calix[4]-arene-4-picoline (1∶4) complex (1995)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 22 (1995), S. 33-40 
    Details
    ISSN: 1573-1111
    Keywords: Calixarene-dye ; crystal structure ; inclusion compound
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The structure of thep-tetrakis-(4-nitrophenylazo)calix[4]arene-4-picoline (1∶4) complex has been determined by X-ray crystallography. Crystals are monoclinic, space groupC2/c,a=24.9097) Å,b=8.425(6) Å,c=33.81(1) Å, β=101.13(2)°,D c =1.330 g/cm3,Z=4, finalR value =0.067. The cone conformation adopted by this azocalixarene is disturbed by the positions of the picoline molecules. Two of them are inside the macorocycle cavity and the two others are outside.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00706496
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  • 28
    Electronic Resource
    Electronic Resource
    New synthesis and complexing properties ofp-tert-butyldihomooxacalix[4]arene. Structure of its 1∶2 complex with tetrahydrofuran (1995)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 22 (1995), S. 119-130 
    Details
    ISSN: 1573-1111
    Keywords: Calixarene ; complexation ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A new method is described for the synthesis of isolatedp-tert-butyldihomooxacalix[4]arene (CALO) with a 24% yield. The ability of CALO to form complexes in the solid state with small neutral molecules has been studied; the potential guests were common solvents bearing various chemical functions. The powder obtained after evaporation of the solvent has been characterized by the X-ray powder diffraction technique. Analysis of the patterns shows the non-complexation of linear alkanes and alcohols, but formation of complexes when the guest is cyclic or when it bears an amine or a ketone function. As illustration of the possible arrangement of molecules in complexes, the structure of the 1:2 complex with tetrahydrofuran (THF) is presented: the crystals are monoclinic, space groupP21/c,a=9.459(2) Å,b=17.286(2) Å,c=30.469(6) Å, β=92.52(2)o,V=4977(2) Å3,Z=4,D c=1.099 Mg m−3, λ=1.54178 Å, μ=5.6 cm−1,R=0.086 for 3590 reflections withF〉4σ (F); one of the THF molecules is inside the cavity of the macrocycle, while the other, in the interhost space, exhibits disorder. In the CALO molecule, three out of the fourtert-butyl groups are disordered which may induce the disorder of the THF molecule.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00707687
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  • 29
    Electronic Resource
    Electronic Resource
    Inclusion compounds of (±) gossypol. Structure of the gossypol-n-valeric acid (1/2) coordinato-clathrate (1995)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 22 (1995), S. 187-201 
    Details
    ISSN: 1573-1111
    Keywords: Inclusion compounds ; gossypol ; crystal structure ; hydrogen bonds
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The crystal structure of the inclusion compound of gossypol withn-valeric acid as a guest molecule has been determined by X-ray structure analysis. The crystals of C30H30O8·(C5H10O2)2, are triclinic, space group $$P\bar 1$$ ,a=6.912(2),b=14.506(3),c=19.387(4) Å, α=78.85(2)°, β=83.92(3)°, γ=86.78(3)°V=1895(1) Å3,Z=2,D x=1.267 g cm−3, μ (CuK α)=0.768 mm−1,T=292 K. The structure has been solved by direct methods on intensity data collected for a twinned crystal and refined to the finalR value of 0.062 for 1606 observed reflections and 470 refined parameters. Gossypol-n-valeric acid (1/2) coordinato-clathrate is not isostructural with any of the previously investigated gossypol inclusion compounds but shows some structural similarities to gossypol-acetic acid (1/1). The host and one of the carboxylic acid molecules are connected via hydrogen bonds into molecular assemblies of a column type which are further bonded to centrosymmetric dimers of the secondn-valeric acid molecule. In effect, host and guest molecules are assembled into layer-type H-bonded aggregates. Structural features common to gossypol-n-valeric acid (1/2) and other earlier reported gossypol inclusion compounds are discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00707082
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  • 30
    Electronic Resource
    Electronic Resource
    Lattice dynamics of (Ba/K)BiO3 (1995)
    Springer
    Journal of superconductivity 8 (1995), S. 595-598 
    Details
    ISSN: 1572-9605
    Keywords: (Ba/K)BiO3 ; lattice dynamics ; electron phonon coupling ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Electrical Engineering, Measurement and Control Technology , Physics
    Notes: Abstract The Lattice dynamics of Ba.6K.4BiO3 was investigated by inelastic neutron scattering on a superconducting single crystal (T c =26 K (midpoint)). At low frequencies the dispersion curves are very similar to those observed in BaPb.75Bi.25O3. Differences were found in the bond bending vibrations of the BiO6 octahedra which indicate that the binding in the K-doped compound is more ionic. Rather anomalous features were observed in the high frequency Bi-O bond stretching vibrations which resemble those observed in the high T c cuprates La1.85Sr.15CuO4 and YBa2Cu3O7. The observed frequency shifts are interpreted as the consequence from a strong electron phonon coupling. The data are compared to the results obtained on non superconducting Ba.98K.02BiO3.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00727434
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  • 31
    Electronic Resource
    Electronic Resource
    Compatibility of poly(ethylene 2,6-naphthalate) and poly(butylene 2,6-naphthalate) blends (1995)
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 35 (1995), S. 1807-1810 
    Details
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Blends prepared from poly(ethylene 2,6-naphthalate) (PEN) and poly(butylene 2,6-naphthalate) (PBN) show only partial miscibility judged from their glass transition temperatures. Two distinct mechanical behaviors are observed: brittle for the blends 〈 20 wt% of PBN, while ductile 〉 20 wt% of PBN. The experimental modulus and strength values of the blends are within the predicted values according to Kleiner and Paul models, respectively. This means that PEN/PBN blends are somewhat compatible based on their tensile properties. Especially for 20 wt% of PBN blend, the high modulus and strength are observed. The viscosity of the blend is high, which may imply a somewhat entangled morphology in the amorphous state.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pen.760352210
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  • 32
    Electronic Resource
    Electronic Resource
    Masthead (1995)
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 35 (1995) 
    Details
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pen.760352301
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  • 33
    Electronic Resource
    Electronic Resource
    Effects of mixing porcedures on properties of compatibilized polypropylene/nylon 6 blends (1995)
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 35 (1995), S. 1821-1833 
    Details
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The paper consides the effects of compatibilization with maleic anhydride grafted polypropylene (PP-g-MAH) on the propertie of immiscible blends of polypropylene (PP) and nylon 6 (N6). We prepared the blends by three different mixing processes; single-step blending, two-step blending with reactive premixing, and two-step blending with nonreactive premixing, to determine the effective mixiing process for fine morphological structure thermal stability, and mechanical properties. Dynamic melt reheological properties were measured to examine the modification of elastic properties by the compatibilizer. In addtion, thermal analysis was also carried out to detect the change in crystallization and thereby to probe the degree of compatibilizaton. The results show that compatibilized blends prepared by teh single-step process exhibit improved phase morphology, thermal stability, and mechanical properties for dried conditions, compared with other blend types. Finally, the water absorption test indicates that the added compatibilizer yields enhanced water resistance in spite of the strong intrinsic hydrophilicity of N6. In particular, two-step blending with reactive premixing is most effective in improving water resistance and reducing degradation of mechanical properties after moisture absorption.
    Additional Material: 14 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pen.760352302
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  • 34
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    Electronic Resource
    A hybrid numerical technique to model 3-D flow fields in resin transfer molding processes (1995)
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 35 (1995), S. 1834-1851 
    Details
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: A hybrid two-/three-dimensional solution technique is presentedto model 3-D flow fields in resin transfer moeling using Darcy's low. The 3-D flow field is only solved for regions where all three velocity components are significant, thus largely reducing the number of unknowns. Elsewhere, the commonly used 2-D approximation for flow in thin gaps between plates is employe.d The method is applied to regions where the flow splits, such as T-joints. Because of the uncertainties associated with an accurate determination of the permeability in these regions, a simplified decompled procedure is procesed, which reduces the computational complexity. In this procedure, the flow front is advanced using the 2-D formulation. The 2-D formulation also provides the boundary conditions for the subsequent computation of the 3-D flow field without feedback of flow field information to the 2-d model. The governing equations are solved using boundary fitted coordinate systems (BFCS) together with the finite difference method (FDM). Numerical as well as algebraic grid generation and domain decomposition are employe dto generate grids that always concide with the continuously deforming and enlarging flow domain. Results that include the trackingof numerical tracer particles to visualize the three-dimensionality of the flow field are presented for isothermal flow of a Newtonian fluid through a T-joint. This detailed flow field description is expected to form the basis for a rather accurate simulation of quantitities that largely depend on the fluid particle pathlines, such as the degree of cure. The method is also extendable to shear-thinning fluids as well as to 3-D flow in the vicinity of the flow front.
    Additional Material: 22 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pen.760352303
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  • 35
    Electronic Resource
    Electronic Resource
    Theory of competition between breakup and coalescence of droplets in flowing polymer blends (1995)
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 35 (1995), S. 1872-1877 
    Details
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The Smoluchowski equation for the breakup and coalescence of dispersed droplets has been solved for flowing polymer blends. A scaling form for the distribution of droplet sized derived and published for a system of clusters with fragmentation and coagualation was used in our dervation. Equations are developed here for the average droplet size and for the characteristic time of transition to steady state flow of blends with a high content of the dispersed phase. Expressions reasonably describing the average size of droplets for all concentrations were obtained by a theory modification. Measured dependences of droplet size on the blend composition can be matched only if simultaneous collisions of three and more droplets are considered. The results of the theory indicate that the mechanism of droplet breakup (formation of pieces with the same or different volumes) has only a small effect on their average size in concentrated systems. The dependence of droplet size on the shear rate in flow is determined by properties of the blend components, and is generally nonmonotonic.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pen.760352306
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  • 36
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    Performance of reprocessed multilayer LDPE/nylon-6 film (1995)
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 35 (1995), S. 1878-1883 
    Details
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Multilayer LDPE/nylon-6 films with an overall content of 71 wt% LDPE, 24 wt% nylon-6, and 5 wt% PE-based tie-layer adhesive were reprocessed under both minimal and extensive mixing conditions. Thermal and mechanical properties, oxygen and water vapor permeability, and morphology of the reprocessed samples were determined. The modulus and yield stress of the reprocessed films fell between those of the pure homopolymers, whereas percent elongation at break and energy-to-break for all reprocessed films were less than those of the homopolymers. In minimally reprocessed film, layering of LDPE (low-density polyethylene) and nylon-6 was retained, whereas in extensively mixed samples, nylon-6 domains were spherical and ranged from 0.2 to 7 μm. Minimally reprocessed film exhibited good O2 and H2O vapor barrier properties, whereas extensively-mixed samples had poor barrier properties. Properties of well-mixed blends prepared both with and without adhesive showed that 5 wt% adhesive did not compatibilize the LDPE and nylon-6 components.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pen.760352307
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  • 37
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    Electronic Resource
    Assessment of residual stresses during cure and cooling of epoxy resins (1995)
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 35 (1995), S. 1895-1898 
    Details
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: A new stress monitoring technique, a stress-tracking device, is described here. It has been used to study some important properties of epoxy resin. Residual stresses, including a curing shrinkage stress and a cooling shrinkage stress, were measured automatically and continuously during curing and cooling. Simultaneously, information such as an apparent gelation time and glass transition temperature were obtained directly during the experiment. These epoxy resin properties were related to the extent of cure. Varying cure temperature produced changes of cure behavior, which resulted in different residual stresses.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pen.760352309
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  • 38
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    Electronic Resource
    Study of reaction injection molding of polyurethane microcellular foam (1995)
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 35 (1995), S. 1899-1906 
    Details
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Processing of microcellular foam was investigated for the feasibility of production of tough and lightweight polyurethanes. To increase the nucleation rate in a gas-supersaturated resin, ultrasonic excitation was applied to the mixture of polyol(polyether-based polyol) and isocyanate(diphenyl methane diisocyanate). A microcellular structure was produced by two sequential steps, i.e., supersaturationof the polyol resin with nitrogen gas at elevated pressure and ultrasonic bubble nucleation right after the impingement mixing of two components of the polyurethane system. Theoretical analyses based on nucleation theories were employed to predict the rate of nucleation in the gas-supersaturated polyurethane. The rate of nucleatio in the resin was predicted by classical nucleation and cluster theories. In the experimental investigation, ultrasonic excitation was applied to increase the nucleation rate in the resin that had been saturated by nitrogen at a saturation pressure 〈 2.0 MPa.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pen.760352310
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    Electronic Resource
    Modeling the mechanical properties in polypropylene/polyamide-6 blends with core shell morphology (1995)
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 35 (1995), S. 1917-1922 
    Details
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Polypropylene/Polyamide-6 (PP.PA) blends containing maleic anhydride grafted elastomers were prepared by reactive blending. Three different types of core shell morphologies were obtained and characterized by transmission electron microscopy (TEM). The midulus of these elastomer midified PP/PA (70/30) blends with core shell type morphology is compared to predictions derived from the Kerner model. The multiphase morphology of these blends could be modeled by sequential application of the Kerner equation to two-phase subinclusions. Using morphological data ontained by TEM, good agreement between experimental and calculated values was ontained. The results are used to tailor PP/Pa-6 blends combining stiffness and toughness.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pen.760352402
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    Electronic Resource
    Electronic Resource
    Creep analysis of thermiplastics using stress relaxation data (1995)
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 35 (1995), S. 1931-1937 
    Details
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: One of the major factors limiting the use of thermoplastics in engineeing applications is the inadequacy of existing design data. Much of the data do not span appropriate ranges of stress, strain, time, or temperature. This study addresses the need to develop an accelerated method for generating long-time design data to support the innovative use of engineering thermoplastics. In particular, stress relaxation tests (SRT) were performed on polycarbonate (PC) and midified poly(phenylene oxide)(PPO), and used to generate time-dependent design data through the short-time measurement of the material's current state without dependence on elastic modulus. The test results and analyses reported here indicate the SRT method to be an efficeint means of generating accurate and repeatable creep and secant modulus data which may be directly used in design. Therefore, SRT shows great potential both as a design parameter development tool, and as a quality control instrumetn for assessing batch-to-batch variability.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pen.760352404
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    Electronic Resource
    Electronic Resource
    Binding geometry of α-helices that recognize DNA (1995)
    New York, NY : Wiley-Blackwell
    Proteins: Structure, Function, and Genetics 23 (1995), S. 525-535 
    Details
    ISSN: 0887-3585
    Keywords: DNA-protein interaction ; crystal structure ; transcription factor ; gene regulation ; Chemistry ; Biochemistry and Biotechnology
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Medicine
    Notes: Many transcription factors have an α-helix that binds to DNA bases in a specific fashion. The DNA-binding geometry of these recognition helices varies substantially. We define a set of parameters to describe the binding geometry of recognition helices and analyze specific stereochemical elements that determine particular geometries. Because the convex surface of the helix must fit into the concave surface of the DNA major groove, the number of degrees of freedom of the recognition helix is reduced from a possible six to a single angle, which we call α. The chemically interacting DNA bases and amino acid residues must lie along a common line and have the same spacing along it. This pairing of base positions with residue positions seems to restrict the binding geometry further to a set of discrete values for α. © 1995 Wiley-Liss, Inc.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/prot.340230407
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  • 42
    Electronic Resource
    Electronic Resource
    Effect of Humidity-Dependent Changes in Crystal Structure on the Solid-State Fluorescence Properties of a New HMG-CoA Reductase Inhibitor (1995)
    Springer
    Pharmaceutical research 12 (1995), S. 556-559 
    Details
    ISSN: 1573-904X
    Keywords: HMG-CoA reductase inhibitor ; SQ-33600 ; crystal structure ; hydrates ; solid-state fluorescence
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract It has been shown previously that the disodium salt of a new HMG-CoA reductase inhibitor (SQ-33600) is capable of existing as a number of hydrate species [1]. Three crystalline solid hydrates and one liquid crystalline phase have been identified, each having a definite stability over a defined range of humidity. These forms have been found to exhibit varying fluorescence properties in their respective solid states, with differences in bandshapes and intensities being noted for each. These spectral variations have been correlated with the known pseudopolymorphism of the compound.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1016206130213
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    The 7.25-hydrate oftert-butylamine. A semi-clathrate and complex variant of the cubic 12 Å structure type (1995)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 22 (1995), S. 145-154 
    Details
    ISSN: 1573-1111
    Keywords: tert-Butylamine 7.25 H2O ; amine hydrate ; semi-clathrate ; clathrate hydrate ; hydrate ; hydrogen bonding ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Of the various hydrates oftert-butylamine, the title compound has been identified as the second-highest, melting incongruently at −19°C. Its crystal structure (orthorhombic, space groupPca21,Z=32 formula units per unit cell,a=24.80,b=16.440,c=25.29 Å) and the exact composition have been determined from X-ray diffraction at −150°C. The hydrate is a rather complex semi-clathrate, with the amine molecules not merely encaged, but also hydrogen-bonded, in a three-dimensional water host structure, which in turn is not fully four-connected. Nevertheless, it bears a clear relationship to the basic and genuine clathrate-hydrate cubic 12 Å type.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00707689
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    Crystal structure of supramolecular complexes formed by 18-crown-6 andcis-anti-cis-dicyclohexano-18-crown-6 (host) with 3,4-diaminofurazane (guest) (1995)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 23 (1995), S. 181-193 
    Details
    ISSN: 1573-1111
    Keywords: 18-crown-6 ; diaminofurazane ; crystal structure ; host-guest complexes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract An X-ray—diffraction study is reported for two molecular complexes containing 3,4-diamino-1,2,5-oxadiazole as guest (G) with 18-crown-6 (18-C-6) andcis-anti-cis-dicyclohexano-18-crown-6 (DCH-6B) as host. Both complexes are of the polymeric-chain structure with the guest molecule bridging two crown neighbours. ComplexI: [18-C-6*G*H2O], 1∶1∶1, monoclinic,P21/n,a=8.171(1),b=15.042(2),c=16.209(6) Å, β=101.15(2)°, finalR-factor 0.068. ComplexII: [DCH-6B*G], 1∶1, monoclinicC2/c,a=21.212(4),b=9.380(2),c=13.049(3) Å, β=108.61(3)°, finalR 0.047.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00709576
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    TheO, O′-dibenzoyl derivative of (R, R)-tartaric acid as a host compound for simple organic ethers (1995)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 22 (1995), S. 211-219 
    Details
    ISSN: 1573-1111
    Keywords: (R, R)-Tartaric acid derivatives ; host-guest compounds ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract TheO, O′-dibenzoyl derivative of (R, R)-tartaric acid shows a good inclusion ability for diethyl and di-n-propol ethers. The two crystalline inclusion compounds have 1:1 stoichiometry and reveal isomorphous structures. Hydrogen bonded host molecules form chains running along thez axis of the unit cell and guest molecules join to these chains by short O−H...O hydrogen bonds. Hydrogen bonding in the crystals is characterized by a C(7)D first-order network. The ether molecules are in a fully extended conformation. They are accommodated in channel-like voids running along thex axis. Atomic displacement parameters are significantly larger for diethyl ether than for the di-n-propyl ether molecule reflecting less dense packing for this inclusion compound.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00707084
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    Crystal and molecular structures of binuclear caesium complexes with 1,3-calix[4]-bis-crown-6 and 1,3-calix[4]-bis-benzo-crown-6 (1995)
    Springer
    Journal of inclusion phenomena and macrocyclic chemistry 23 (1995), S. 305-312 
    Details
    ISSN: 1573-1111
    Keywords: Bridged calix[4]arene ; caesium complex ; ditopic receptor ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The crystal structures of two binuclear complexes between caesium and 1,3-calix[4]-bis-crowns have been determined. Cs2 Bis-benzoC6(NO3)2. 3CHCl3 (1) in whichBis-benzoC6 is 1,3-calix[4]-bis-benzo-crown-6, crystallizes in the orthorhombic system: space groupPca2 1 a=19.513(10),b=15.382(5),c=23.708(9) Å,V=7116(5) Å3,Z=4. Refinement led to a final conventionalR value of 0.065 for 2321 reflections. The structure of (1) is analogous to those already reported withBis-C6, (in whichBis-C6 is, 1,3-calix[4]-bis-crown-6) and NO 3 − as a counter-ion. Cs2 Bis-C6(NCS)2 (2) crystallizes in the monoclinic system: space, groupC2 a=36.57(2),b=11.47(1),c=13.65(1) Å, β=109.03(5)°.,V=5415(6) Å3,Z=4. Refinement led to a final conventionalR value of 0.063 for 2227 reflections. Compound (2) is made of dimers bridged by a disordered NCS− ion. The crown ether chain conformations are discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00707934
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    Masthead (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995) 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410301
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  • 48
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    AIChE journal: More diverse and timely (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 445-445 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410302
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    Habituating control strategies for process control (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 604-618 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: By “reverse engineering” the functions of a specific biological system, habituating control strategies are developed for process control applications. A habituating control system has the distinguishing property of more more manipulated inputs than controlled outputs; with the inputs differing significantly in their dynamic effect on the outputs and in the relative costs of manipulating each one. A habituating controller coordinates the use of all the available inputs to achieve high-performance output objectives while simulatneously minimizing the cost of taking control action.The “baroreceptor reflex,” the control system responsible for short-term blood pressure regulation, provides the biological paradigm for the analysis and design of the habituating control structure. Its main characteristics are discussed from a process control perspective, indicating that the robust, high-performance control, characteristic of biological systems is partly due to such habituating control architectures. The broad range of potential process applications is illustrated with two examples. Two basic strategies are presented for the design of habituating controllers for linear systems with two inputs and one output: the direct synthesis approach and the model predictive approach. Compared to previous techniques for multiple-input, single-output systems, the direct synthesis strategy is straightforward and systematic. Simulation results demonstrate the superior performance of habituating control compared to conventional techniques for which the number of inputs and outputs are equal.
    Additional Material: 18 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410318
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  • 50
    Electronic Resource
    Electronic Resource
    Residence time distribution in three-phase monolith reactor (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 649-657 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The residence time distribution of the liquid phase within a three-phase monlith reactor is determined using tracer studies. The actual liquid residence time in the monolith, relevant for reactor design purposes, is calculated from overall residence time measurements using deconvolution by Fourier transform. The liquid-phase residence time decreases as liquid or gas flow rates increase, but the reactor Peclet number remains approximately constant. The residence time distribution and calculated values of the Peclet number reveal that the liquid phase is substantially well-mixed. Comparison with results from experiments in a single glass capillary reveals that the monolith channels become predominantly liquid-filled, particularly as the liquid flow rate becomes a significant fraction of the total flow rate.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410321
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    Shear thinning in ternary bicontinuous and water-in-oil microemulsions (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 677-682 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Shear thinning of ternary microemulsions of didodecyldimethylammonium bromide (DDAB), water, and dodecane in the range 103 to 106 s-1 is documented over a wide range of compositions. A marked transition in the characteristic shear rate is observed accompanying the structural transition from bicontinuous to water-in-oil (w/o) droplets as previously reported from diffusion and small-angle scattering techniques. Results in the w/o region are consistent with those for a dispersion of hard spheres. The shear thinning of the bicontinuous structure, however, occurs at much higher shear rates, implying a shorter time and length scale for disruption of the equilibrium liquid structure by the flow field.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410324
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    Convective diffusion from a dissolving polymeric particle (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 666-676 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A comprehensive mathematical model for describing the process of dissolution of a spherical polymeric particle in a convective field is developed. It includes the process of glass transition, reptation of macromolecules, disengagement of these molecules from the gel-liquid interface, and diffusion in the boundary layer surrounding the gel-liquid interface. Different controlling regimes for the dissolution process are identified and quantitatively delineated in this moving boundary problem. Analytical solutions for the estimation of dissolution time for various limiting cases are presented. Key predictions from the model are verified by comparison with preliminary experimental data. A novel feature of a particle-size-independent dissolution of polymeric particles below a critical size brought out by the model is verified experimentally. The findings have pragmatic implications in diverse areas, such as polymerization, drag reduction, and microlithography.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410323
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    High-temperature kinetic study for the reactive ion etching of InP in BCl3/Ar/O2 (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 658-665 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The reactive ion etching kinetics of InP studied uses BCl3/Ar and BCl3/Ar/O2 as etchants. High-temperature etching using BCl3 and Ar increases the etch rate negligibly. However, the addition of 30% oxygen in the gas feed increases etch rates by a factor of 10,000 up to 1.5 micron/min at wafer temperatures of 250°C. X-ray photoelectron spectroscopy analysis reveals that oxygen removes the boron species adsorbing on the InP surface by scavenging the boron to form volatile boron oxides. To study the gas-phase chemistry, optical emission spectroscopy is used to monitor atomic chlorine intensity at different gas mixtures. The chlorine intensity shows a Gaussian-type dependence with oxygen addition, which is similar to the etch rate dependence. Two regimes of etching found are: at temperatures below 150°C, the etching is limited by the removal of indium chlorides; above 180°C, the etching is reaction-limited. The surface morphology shows that the etch profile becomes rougher as a result of increased chemical etching. At high power densities (0.21 W/cm2) and intermediate temperatures (150°C), near vertical wall shapes are obtained. A kinetic model for the high-temperature etching is developed, as well as a rate law based on the InCl formation reaction. The rate law compares favorably with experimental etch rate results.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410322
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    Reformulation of Wong-Sandler mixing rule for cubic equations of state (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 683-690 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The cubic equation of state mixing rule of Wong and Sandler is reformulated in a way that eliminates one of its parameters and so that it can go smoothly from activity coefficient-like behavior to the classical van der Waals one-fluid mixing rule merely by variation of its parameters. The parameters in the reformulated mixing rule can be obtained from correlation of vapor-liquid equilibrium data or from the two infinite dilution activity coefficients for each binary pair in the mixture. When these activity coefficients are estimated from the UNIFAC group contribution model, the mixing rule becomes completely predictive. The correlative and completely predictive forms of this mixing rule are tested here and shown to be accurate for five difficult binary systems and one ternary mixture over large ranges of temperature and pressure.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410325
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    Aspects of flow of power-law fluids in porous media (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1099-1112 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Non-Newtonian fluid flow in porous media is encountered in a variety of applications. Aspects of single-phase flow of power-law fluids in porous media are examined. First, homogenization theory is used to derive a macroscopic law. It is shown that the single-capillary power law between flow rate and pressure gradient also applies at the macroscopic scale, provided that the Reynolds number is sufficiently small. Homogenization theory confirms the validity of the use of pore network models to describe flow of power-law fluids, although not necessarily of fluids of a more general rheology. Flow in pore networks is next used to explore various pore geometry effects. Numerical simulations show that approaches based on an effective medium or on the existence of a critical path, which carries most of the flow, are valid in narrow- or wide-pore-size distributions, respectively. The corresponding expressions agreed well with the numerical results in the respective ranges. An analysis presented for Bethe lattices leads to closed-form expressions in two limits: for an effective medium and near percolation. The behavior near percolation generalizes the results of Stinchcombe (1974) for the linear (Newtonian) case.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410506
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    Convective diffusion and adsorption in a swarm of spheroidal particles (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1122-1134 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The problem of mass transfer from a Newtonian fluid to a swarm of spheroidal adsorbers under creeping flow conditions is considered using the spheroid-in-cell model to represent the swarm. The flow field within the fluid envelope for the Kuwabara type of boundary conditions is obtained form the analytical solution of Dassios et al. (1994). The complete convective diffusion equation is used to describe mass transport within the envelope so that moderate and strong diffusional terms can be taken into account. A new set of boundary conditions is used that respects mass flux and concentration continuity across the outer surface of the cell and maximizes the applicability of the spheroid-in-cell model in the convection-to-diffusion transition regime. The resulting elliptic problem in two dimensions is solved numerically. Results for the upstream and downstream concentration profiles reveal that tangential diffusion is very significant and should not be neglected for moderate and low Peclet number values. Also, the classical Levich-type of formulation, which is theoretically valid for very weak diffusional terms only, can in practice be modified to predict with fair accuracy the overall Sherwood number and the adsorption efficiency of prolate and oblate spheroids-in-cell even in moderate Peclet number cases.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410508
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    Role of porosity in filtration: XII. Filtration with sedimentation (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1153-1164 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Filtration on horizontal surfaces facing upward is accompanied by sedimentation. Material balances that are based solely on the volume of filtrate and neglect sedimentation flux lead to an understatement of the solids deposited in the cake and potentially large errors in calculated values of the average specific resistance αav. In a gravitational sedimentation experiment with kaolin, the value of αav neglecting sedimentation was 3.75 times greater than the value including the effect of sedimentation. In addition to errors due to neglect of sedimentation, CATSCAN studies show that the slurry concentration above the cake increases with time, contrary to usual assumptions. In a manner similar to batch sedimentation in a closed cylinder, characteristics of constant composition arose from the cake surface. Approximate predictions based on a combination of traditional sedimentation and filtration theory were in accord with the CATSCAN data. Existing filtration theory must be substantially modified to account for the effect of sedimentation.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410511
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    Copper selective adsorption with a microemulsion-based resin (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1165-1170 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Cross-linked terpolymers of allyl acetylacetone, 2-hydroxyethyl methacrylate, and ethylene glycol dimethacrylate were synthesized in the oil phase of a bicontinuous microemulsion stabilized with didodecyldimethylammonium bromide. The resulting material is porous, with a surface area of 58 m2/dry g. It selectively adsorbs copper, picking up 0.07 meq/dry g from a 0.1-M solution. This is less than the total apparent capacity of 0.65 meq/dry g inferred from titration with base and much less than the amount in conventional, nonselective resins, which is typically 5 meq/dry g. Breakthrough curves in packed beds and across membranes of this material seem consistent with uptake controlled by chemical reaction compromised by dispersion. Nonporous membranes of this material do not show facilitated transport.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410512
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    Numerical studies of multicomponent chromatography using pH gradients (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1171-1183 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A general numerical method is developed for multicomponent chromatography for the case where a pH gradient occurs and several buffering species are present that become adsorbed together with the components being separated through an ion-exchange mechanism. Acid-base equilibrium relations are used to determine the ionic compositions in the liquid and adsorbed phases and are solved using a single-variable Newton's method. The differential material-balance relations are integrated numerically using the method of characteristics. The transport relations are incorporated using a matrix analog of the linear-driving-force approximation. The resulting method accounts for the adsorption of each ionic form of each buffering species, for multicomponent diffusional interactions arising from induced electric fields, for volume and concentration overloading of proteins, and for changes in the adsorption capacity caused by pH variations. Numerical calculations illustrate factors govening the selection of the adsorbent and buffer components for use in separating mixtures of proteins using retained, internally generated pH gradients.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410513
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    Numerical computation of turbulent gas-solid particle flow in a 90° bend (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 2187-2197 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A numerical computation of the LDV results of Kliafas and Holt is reported for a turbulent gas-solid particle flow in a square-sectioned 90° bend. A Eulerian model with generalized Eulerian solid surface boundary conditions for the particulate-phase momentum exchanges with solid walls are included. The turbulent closure is effected by using the gas-phase RNG-based k-∊ turbulence model, and the particulate turbulence diffusivity is related to the turbulent viscosity of the gas phase. Comparisons are made with experimental data for the mean streamwise velocities of both phases, the streamwise turbulence intensity of the gas phase, and the particulate concentration distribution in the bend. The localized high particulate concentration near the outer curve of the bend that occurs at large Stokes number is accurately predicted. Empirical computational evidence is presented for a relaxation of the minimum particle number density required to allow the use of a continuum model.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690411003
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    Multiple roll systems: Residence times and dynamic response (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 2198-2211 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: In roll coating as in other coating processes the coating liquid often suffers changes in properties on the time of the coating flow, that is, from fractions of a second upward depending on the amount of recirculation and recycling. The agents of change may be chemical reaction, colloidal aggregation, or evaporation. Hence the mean residence time and the residence time distribution of the liquid are important to designers and operators of coating processes. Here, building on the examination of roll-coating systems by Benjamin et al. (1995), the residence times of liquid coated by representative arrays of multiple rolls in the “forward roll” mode and relatively starved feed condition (neglecting the possibly significant effects of “rolling banks” and other internal recirculations when they are present) are analyzed. The dynamic response of these transfer coaters to step changes in the feed gap and to periodic gap changes, as from roll and bearing run-out, are also analyzed. No reports of operating or laboratory experiments are available for comparison. Nevertheless the results make plain how these quality-limiting features may depend don the number of rolls used; their sizes, speed, and arrangement, and the properties of the coating liquid.
    Additional Material: 18 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690411004
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    Analysis of multidimensional models of monolith catalysts for hybrid combustors (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 2250-2260 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Distributed parameter models of the single channel of a monolith combustor have been derived from progressively simplified assumptions. Simulation results are compared to assess the importance of the different physicochemical phenomena occurring in the combustor and to identify the simplest adequate model. For typical operating conditions of the hybrid combustor (gas and wall temperature not exceeding 1,073 and 1,273 K, respectively, high flow rate and pressure, natural gas as fuel), the results show that variations of gas properties have to be considered while homogeneous combustion can be neglected. Assumption of the approximate radial profile of axial velocity with invariant parabolic shape, rather than the rigorous solution of momentum balance and the continuity equation, provides accurate results. Moreover, for simulation of ceramic monoliths, backward heat transmission by wall conduction can be neglected with a substantial saving of computational labor.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690411008
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    Wetting of fiber mats for composites manufacturing: II. Air entrapment model (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 2274-2281 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: In this work the experimental observations are explained with the aid of a simple air-entrapment model based on the concept of two levels of porosity of fiber mats. A simple model that includes liquid bypassing with initial air trapping, subsequent capillary invasion of regular fiber bundles with air compression, and finally mobilization is proposed to explain air-entrapment phenomena. The simple model successfully rationalizes the observed air trapping and compression during initial liquid-fiber contact. An empirical equation for the mobilization efficiency is adapted to the model to estimate void content. The velocity dependence of the trapped void content predicted by the model is in good agreement with observations.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690411010
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    Nitridation and CVD reactions with hydazine (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 2282-2291 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The low-temperature nitridation of gallium arsenide, silicon and transition metals was investigated using hydrazine. Gallium nitride films were grown on gallium arsenide (GaAs) by direct reaction of the semiconductor surface layers with hydrazine et 200-400°C. Auger electron spectroscopy and X-ray photoelectron spectroscopy (XPS) analyses show that the films are primarily gallium nitride with a small oxide impurity. Thin nitride films (∼15 Å) were grown on silicon by reaction with hydrazine at 300-500°C. Ellipsometry results suggest that the film growth goes through different phases following linear, parabolic and logarithmic functions with time. XPS analysis shows that the nitride films could be formed at much lower temperatures than possible with ammonia (300 vs. 600°C). The formation of numerous transition metal nitrides (Co, Cr, Fe, Mo, Si, Ta, Ti, V, and W) by reaction with hydrazine at 400°C is demonstrated, as well as the chemical vapor deposition of boron nitride films from diborane and hydrazine reactants. The temperature at the mixing point was critical in determining the final composition of the film. A 1-D transport model suggests that the reaction rate at 400°C was kinetically limited. The results also agree qualitatively with thermodynamic equilibrium calculations.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690411011
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    Second law analysis on fractal-like fin under crossflow (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 2314-2317 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690411015
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    Analysis of fiber formation during air-gap wet spinning (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1281-1294 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The steady formation of fibers in the air-gap wet-spinning process is analyzed, in which solidification of the fiber material is brought about by the diffusional exchange of solvent and nonsolvent in a coagulation bath. The concentration profile within the fiber is determined, and a simple model is given for the change of the material behavior with changing concentration. The material behavior of the uncoagulated spinning solution is described by a constitutive model for viscoelastic liquids that allows the incorporation of a relaxation-time spectrum. The behavior of the solidified fiber is described by a model for rubberlike elastic solids. The effects of variable fiber temperature and skin friction on the fiber motion are also taken into account. The computed velocity profiles are compared to experimental data. These data were obtained by spinning three samples of nominally identical spinning solutions. Even though the theoretically predicted profiles agree well with those obtained with the first two samples, they completely fail to do so for the third. This failure is attributed to the unexpected extreme sensitivity of the model predictions to the width of the dynamic spectrum that is used to infer the relaxation-time spectrum. It is also found that the velocity profile depends rather strongly on the initial conditions for the stress.
    Additional Material: 14 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410523
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    Solvation effects on reactions of triplet benzophenone in supercritical fluids (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1306-1318 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Laser flash photolysis of the hydrogen abstraction reaction of triplet benzophenone (3BP) from 2-propanol and 1,4-cyclohexadiene in supercritical ethane and fluoroform was investigate. Bimolecular rate constants based on bulk concentrations decrease with an increase in pressure along both isotherms studied. These results corroborate our previous studies in CO2 that show increased reaction rates due to enhanced local compositions of cosolvent around the 3BP solute. Analysis of the results includes prediction of the thermodynamic pressure effect on the rate constant, which suggests an increase in the rate constant with pressure, as well as the effects of increased local cosolvent concentrations about 3BP. Spectroscopic measurements of the local composition of 2-propanol about a solute in supercritical CO2 are used to explain the apparent discrepancy between experiment and prediction, providing reasonable evidence that the local environment can influence kinetically controlled reactions in supercritical fluids.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410525
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    Direct observation of hindered brownian motion (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1324-1328 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410528
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    Cautious on-line correction of batch process operation (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1337-1340 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410531
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    Convergence of a series of well-stirred reactors to plug-flow reactor (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1346-1348 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410533
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    Nonlinear dynamics and chaos (with applications to Physics; Biology; Chemistry; and engineering). By S. H. Strogatz; addison-wesley; reading; MA; 1994; 498 pp.; $51.95 (hard cover) (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1353-1354 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410535
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    Newtonian drop impact with a solid surface (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1357-1367 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The spreading of Newtonian liquid drops after impact with a solid surface is reproted for a range of liquid and surface proeprties, drop diameters, and impact velocities. Results for liquid viscosities up to 300 mPa.s are given. For a given drop diameter and velocity, a range of liquid viscosities result in splashing even for smooth surfaces. The maximum spread radius, made dimensionless with the drop radius, is correlated as Rmax* = 0.61(Re2Oh)0.166, where Re and Oh are the Reynolds and Ohnesorge numbers. respectively. A model is proposed to account for inertial, viscous, and surface tension forces on the maximum spread radius. Good agreement is found between the model and experimental data from several sources.
    Additional Material: 15 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410602
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    Dilute turbulent gas-solid flow in risers with particle-particle interactions (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1375-1388 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Earlier work of Sinclair and Jackson that treats the laminar flow of gas-solid suspensions is extended to model dilute turbulent flow. The random particle motion, often exceeding the turbulent flucutations in the gas, is obtained using a model based on the kinetic theory of granular materials. A two-equation low Reynolds number turbulence model is modified to account for the presence of the dilute particle phase. Comparisons of the model predictions with available experimental data for the mean and fluctuating velocity profiles for both phases indicate that the resulting theory captures many of the flow features observed in the pneumatic transport of large particles. THe model predictions did not manifest an exterme sensitivity to the degree of inelasticity in the particle-particle collisions for the range of solid loading ratios investigated.
    Additional Material: 17 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410604
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    Fractional crystallization: Design alternatives and tradeoffs (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 2427-2438 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Guildlines for the design of fractional crystallization processes to separate two-and three-solute mixtures are presented. By using solvent addition/removal, stream combination, and cooling/heating, these processes bypass regions of multiple saturation in the phase diagram and recover purse solutes. Design equations are formulated, and the constraints on the design variables are identified. also included is a discussion of the effect on recyle flows of changes in the design variables and an estimate of the cost of a fractional crystallization separation.
    Additional Material: 17 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690411109
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    An introduction to coal technology. By Norbert Berkowitz, Academic Press, New York, 1994, 2nd ed., 398 pp (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 201-202 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410123
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    Multicomponent mass transfer. By Ross Taylor and R. Krishna, Wiley, New York, 1993, 579 pp (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 202-203 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410124
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    Masthead (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995) 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410201
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    Use of optical probes to characterize bubble behavior in gas-solid fluidized beds (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 223-228 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Optical probes are used to study gas-solid fluidized-bed hydrodynamics. The probes each consisting of a light source and photodetector separated by a gap are suitable for use at combustion-level temperatures. The methodology to process the signal for calculation of bubble properties such as bubble frequency, local bubble residence time, bubble velocity, pierced length, bubble size, and visible bubble flow is presented. The signal processing technique is independent of bed operating conditions. The probe signal processing methodology is validated by comparing calculated bubble properties based on the probe signal with properties observed on videotapes of a 2-D bed.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410204
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    Instability phenomenon in an external-loop three-phase gas-liquid airlift reactor (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 2508-2511 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690411116
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    Mechanistic description and experimental studies of electrochromatography of proteins (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 2499-2507 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Electrochromatography is a form of gradient liquid chromatography in which an axial electric potential is applied to columns packed with gel-filtration media. Experimental methodology and a mechanistic model are further developed for a system that minimizes Joule heating at electric field strengths of 100 V/cm by dissipating heat through a cooling jacket and use of a cooled, low ionic strength eluting buffer. Focusing of proteins can be achieved in a 15-mm-dia. Column by the interplay of eluent velocity, electrophoretic migration rate, and electrically induced concentration polarization when the stationary phase is more conductive than the mobile phase. Voltage gradients of up to 125 V/cm for eluent velocities at 18-25 cm/h separate binary protein mixtures of Bhb-α-lactalbumin, BSA-myoglobin, and α-lactalbumin-myoglobin over Sephadex G-100 and G-50. Retention times are consistent with values obtained from a mechanistic nonlinear model.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690411115
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    Theory of gas diffusion and permeation in inorganic molecular-sieve membranes (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 58-67 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Theoretical models of gas diffusion and permeation in microporous molecularsieve membranes are presented. The effect of the adsorbed diffusant on the total transmembrane flow is insignificant for permanent gases. For highly adsorbable gases the effect of the adsorbed molecules on the total transmembrane flux may be high at low temperatures. The activation energy of diffusion increases when the kinetic diameter of the diffusant increases. The activation energy of gas diffusion compares well with the values calculated based on the Lennard-Jones potential. Maximum possible permeability coefficients calculated for He in the molecular-sieve membranes do not exceed ˜30,000 Barrer at room temperature. The experimentally observed value for He permeability is ˜1,000 Barrer (T=30°C) because of the high tortuosity (τ≍ 25) and low porosity (θ = 0.22) of the membrane porous structure.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410107
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    Nucleation, agglomeration and crystal morphology of calcium carbonate (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 68-77 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A pH-stat MSMPR crystallizer is used to obtain the nucleation rate equation of calcite formed in the Na2CO3-CaCl2 reacting system. The experiments are conducted for seeded and unseeded runs. Effects of breakage and agglomeration on the crystalsize distribution are demonstrated. In a continuous operation, the agglomeration of nuclei followed by the breakage of agglomerates occurs at the transient state, while the agglomeration is significant at the steady state. Taking crystal agglomeration into account, the corrected nucleation rate and agglomeration rate are obtained simultaneously. The agglomeration rate is a function of relative supersaturation and magma density, and the corrected nucleation rate is approximately two- to five-fold of the apparent nucleation rate, which is the nucleation rate without considering the agglomeration effect. Discussed also is the formation of calcium carbonate polymorphism.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410108
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    Separation vector formulation for the synthesis of multicomponent separation sequences (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 78-96 
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    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A new separation system representation uses stream separation vectors in the separation space. The characteristics of a separation sequence are clarified by its separation base vectors that form the sequence basis and those of a separation system by the geometrical properties of separation vectors. The optimal flowsheet of each sequence under separation vector formulation can be obtained as the solution of a linearly-constrained optimization problem. A set of simple rules determines the minimum separation loads of any sharp separation sequence by inspection. A modified cost measure, which combines the separation cost with the savings due to stream bypass, can be used to select the optimal sequence without the overall cost analysis.The optimal separation sequence is obtained first by identifying the best sequence configuration according to modified cost measures and then by finding the actual costs of maximum-bypass and its neighboring sequence configurations. For the nonlinear objective function, the exact optimal flowsheet is determined by solving a linearly-constrained optimization problem. Since this procedure is a linearly-constrained optimization problem, the mathematical programming solution is not likely to lead to a local minimum.
    Additional Material: 8 Ill.
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    URL: http://dx.doi.org/10.1002/aic.690410109
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    Model-based approach to automated hazard identification of chemical plants (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 97-109 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A prototype hazard identification system, qualitative hazard identifier (QHI), works by exhaustively positing possible faults, automatically building qualitative process models, simulating them, and checking for hazards. QHI matches a library of general faults such as leaks, broken filters, blocked pipes, and controller failures against the physical description of the plant to determine all specific instances of faults that can occur in the plant. Faults may perturb variables in the original design model or may require building a new model. Fault models are automatically generated using the qualitative process compiler and simulated using QSIM. Hazards including overpressure, overtemperature, controller saturation, and explosion are identified in the reactor section of a nitric acid plant using QHI.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410110
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  • 85
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    Electronic Resource
    Diffusion in heterogeneous media: Application to immobilized cell systems (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 691-700 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Transport of small molecules in heterogeneous materials can be an important factor in many engineering and biological applications. This study focuses on the diffusion of cellular nutrients in an immobilized cell system. A Monte Carlo simulation technique is used to describe the diffusion of small molecules in a variety of simulated cellular structures. Diffusivity predictions are in close agreement with experimental values as well as with theoretical bounds reported in the literature. It is revealed that effective diffusivities are highly dependent on the diffusivities of the species in the various phases and on the volume fraction of cells. The spatial arrangement of the cells, however, has no apparent effect on the predicted diffusivity for the range of conditions investigated.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410326
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  • 86
    Electronic Resource
    Electronic Resource
    Measurement of protein diffusion in Dextran solutions by holographic interferometry (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 701-711 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Theories and experimental measurements related to the diffusion of globular macromolecules and small spheres in polymer solutions are discussed. It is shown that the Kirkwood-Riseman point scatterer and Brinkman models, two theoretical approaches that lead to hydrodynamic screening, are equivalent. Holographic interferometry is presented as a new method for measuring gradient diffusion of proteins in transparent polymer solutions and gels. This method is used to examine the effect of ionic strength, polymer concentration and polymer molecular weight on the diffusion of bovine serum albumin (BSA) in dextran solutions. The data are interpreted in light of the hydrodynamic screening and Stokes-Einstein models of diffusion. In particular, it is shown that while the Stokes-Einstein equation may be appropriate for the diffusion of relatively large latex spheres in polymer solutions, it is inappropriate for predicting diffusion coefficients of BSA and comparable proteins in such solutions.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410327
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  • 87
    Electronic Resource
    Electronic Resource
    Axial dispersion in Taylor-Couette flow (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 723-727 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410329
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  • 88
    Electronic Resource
    Electronic Resource
    Effectiveness of calcium magnesium acetate as dual SO2 -NOx emission Control Agent (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 712-722 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Calcium magnesium acetate (CMA) is an effective dual SO2-NOx emission control agent. Laboratory-scale experiments with dry injected particles at a Ca/S molar ratio of 2 [or (Ca + Mg)/S ratio of 6] resulted in SO2 and NOx removal efficiencies of over 90% at gas temperatures of 950 - 1,250°C in atmospheres containing 12% CO2, 3% oxygen, 2,000 ppm SO2, and 1,000 ppm NOx during a 1-s residence time in an isothermal cavity followed by injection of after-fire air. During the experiments, SO2 reacted with the porous, thin-walled CaO, CaCO3 and MgO cenospheres, formed when CMA calcined, while NOx was reduced by hydrocarbon radicals from the organic acetate decomposition. While Ca was the dominant contributor to SO2 reduction by CMA in the isothermal furnace zone, Mg also contributed to SO2 reduction. At gas temperatures ≤ 950°C, Mg reacted directly with SO2 in the isothermal furnace zone and was the dominant SO2 remover in the post-furnace quenching zone while indirectly SO2 at higher isothermal zone temperatures by precluding pore-mouth plugging when CaSO4 formed. Interactions among hydrocarbons, SO2, and NOx are important but not fully understood.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410328
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  • 89
    Electronic Resource
    Electronic Resource
    Drag on spheroidal particles in dilatant fluids (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 728-731 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410330
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  • 90
    Electronic Resource
    Electronic Resource
    Modeling segregation of solute material during drying of liquid foods (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 732-736 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410331
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  • 91
    Electronic Resource
    Electronic Resource
    Letters to the Editor (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 737-740 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410332
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  • 92
    Electronic Resource
    Electronic Resource
    Paste flow and extrusion. By J. Benbow and J. Bridgwater, Oxford series on advanced manufacturing, Oxford, 1993, 153 pp. (hard cover), $56.50 (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 741-741 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410333
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  • 93
    Electronic Resource
    Electronic Resource
    Scaleup and design of industrial mixing processes. By Gary B. Tatterson, McGraw Hill, New York, 312 pp., 1994 $56 (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 741-742 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410334
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  • 94
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    Electronic Resource
    Macrotransport processes. By H. Brenner and D. A. Edwards, Butterworth-Heinemann, Stoneham, MA, 1993, 714 pp., $75 (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 742-743 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410335
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  • 95
    Electronic Resource
    Electronic Resource
    Surface and colloid science. Edited by Egon Matijevic, Vol. 15, Plenum, New York, 1993, 276 pp. (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 743-745 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410336
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  • 96
    Electronic Resource
    Electronic Resource
    Protein purification process engineering. Edited by R. G. Harrison, Marcel Dekker, New York, 1993, $155 (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 745-746 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410337
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  • 97
    Electronic Resource
    Electronic Resource
    Masthead (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995) 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410401
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  • 98
    Electronic Resource
    Electronic Resource
    Fractal nature of viscous fingering in two-dimensional pore level models (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 749-763 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Use of saturation-dependent relative mobilities leads to linear flow; however, experiment and theory show that, in the limit of very large viscosity ratio, the flow is not linear but fractal. Generally, fractional flows and relative mobilities depend on both saturation and time. Use of a standard pore-level model of 2-D flow in the limit of infinite capillary number shows that this flow is fractal for large viscosity ratios (M = 10,000) and the sauration and fractional flows agree with the results of our general arguments. For realistic viscosities (M = 3 → 300), our modeling of the unstable flow shows that, although the flows are initially fractal, they become linear on a time scale, τ increasing as τ = τ0M0.17. Once linear, the saturation front advances as x ≈ v0M0.068 t; the factor M0.068 acts as a 2-D Koval factor.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410402
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  • 99
    Electronic Resource
    Electronic Resource
    Characterization of lignosulfonate-modified hydrated lime powders (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 435-438 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410225
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  • 100
    Electronic Resource
    Electronic Resource
    Modeling of a monolithic catalyst with reciprocating flow (1995)
    Hoboken, NJ : Wiley-Blackwell
    AIChE Journal 41 (1995), S. 1229-1234 
    Details
    ISSN: 0001-1541
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Several methods have been proposed to improve the conversion of catalytic oxidation reactions. Gases with low enthalpy contents or gases that contain small amounts of combustible compounds can be converted much more efficiently in a reactor with reciprocating flow. The solid phase exhibits an inertia behavior insofar as it does not reach equilibrium with the gas temperature at the reactor ends. The solid-phase temperature at the center of the bed is considerably higher than in the unidirectional case. Results for the oxidation of CO at different inlet gas temperatures and switching periods are presented. An optimum period is found at which maximum conversion occurs. An estimate of the maximum temperature in the reactor is derived.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/aic.690410518
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