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  • 1995-1999  (410)
  • 1890-1899
  • 1850-1859
  • 1996  (410)
  • Industrial Chemistry and Chemical Engineering  (246)
  • crystal structure
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 26 (1996), S. 677-681 
    ISSN: 1572-8854
    Keywords: Anthraquinone ; crystal structure ; intramolecular hindrance
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes in the monoclinic space group, P21/c;a=12.938(1),b=11.041(1),c=19.285(2) Å, β=104.314(8)°,Z=4. Refinement based on 1660 unique observed reflections converged toR=0.054. The anthraquinone moiety is distorted due to intramolecular steric hindrance from the tosylate groups.
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  • 2
    ISSN: 1572-8854
    Keywords: Organoiron complex ; dinuclear complex ; crystal structure ; phosphonium ylid
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes in the centrosymmetric monoclinic space group P21/n withZ=4. The cation consists of two (η5-C5h5)Fe(CO) units which are linked via a metal-metal bond (Fe(1)−Fe(2)=2.530(1) Å), a bridging carbonyl ligand (Fe(1)−C(4)=1.912(8) Å. Fe(2)−C(4)=1.940(9) Å) and a bridging phosphonium ylid ligand (Fe(1)−C(1)=1.991(6) Å, Fe(2)−C(1)=1.985(6) Å and C(1)−P(1)=1.781(6) Å).
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 26 (1996), S. 747-752 
    ISSN: 1572-8854
    Keywords: Phosphine oxide ; quaternary ammonium ; water-soluble phosphine ; crystal structure ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes in the centrosymmetric triclinic space group $$P\bar 1$$ withZ=4. The crystallographic asymmetric unit contains two independent cations; interatomic distances within these include P=O=1.47(1) and 1.47(1) Å, P−C6H5=1.78(2)–1.81(1)Å and P−CH2CH2NMe3 +=1.80(1) and 1.81(1) Å. The phosphine oxide moiety is involved in intermolecular hydrogen bonding ()...H−C, with O...H≥2.42Å) and the iodide is involved in I...H−C contacts with I...H≥3.10Å.
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  • 4
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 26 (1996), S. 185-189 
    ISSN: 1572-8854
    Keywords: Solid-solid reaction ; inclusion compound ; p-toluidine ; cholic acid ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Cholic acid undergoes solid-solid reactions with some aromatic molecules to form inclusion compounds. Simple shaking of a mixture of powdered cholic acid andp-toluidine results in formation of the 1∶1 (host:guest) inclusion compound which has the same structure as that formed by conventional crystallization methods: monoclinic space groupP21 witha=13.577(4),b=8.078(2),c=14.182(6) Å, β=114.42(3)°,Z=2 andR 1=0.061 for 2680 unique reflections.
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  • 5
    ISSN: 1572-8854
    Keywords: Ruthenium(II) complex ; disordered structure ; crystal structure ; solvate ; triphenylphosphine ; bipyridyl
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complexcis-[Ru{4,4′-(t-Bu)2bpy}2(PPh3)Cl+][ClO 4 − ·0.5(toluene)·0.5(MeCN), where 4,4′-(t-Bu)2bpy=4,4′-di(t-butyl)-2,2′-bipyridyl crystallizes with an ordered racemic mixture of the chiral cations in the centrosymmetric triclinic space group $$P\bar 1$$ (No. 2). The structure was refined toR=4.42% for those 6426 reflections with 20=5–50o and |F o|〉6σ(F). Ruthenium ligand distances are Ru−Cl=2.423(2)Å, Ru−PPh3=2.346(2)Å and Ru−N=2.056(4)–2.098(4)Å. Both the Ru(II)-containing cation and the perchlorate anion are ordered, but the toluene and acetonitrile exhibit an interesting type of scrambled disorder about the inversion center atx=1,y=1/2,z=0.
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  • 6
    ISSN: 1572-8862
    Keywords: Rhenium ; dirhenium complexes ; rhenium-rhenium multiple bonds ; isocyanide ligands ; carbonyl ligand ; structural isomers ; 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 monocarbonyl complex Re2Cl4(µ-dppm)2(CO) reacts with xylyl isocyanide in acetonitrile to afford the bioctahedral complex (CO)Cl2Re(µ-dppm)2 ReCl2(CNxyl), 2b. This is a different structural isomer from the edge-sharing bioctahedral complex Cl2Re(µ-Cl)(µ-dppm)2ReCl(CNxyl) or this same stoichiometry which A formed when acetone is be reaction solvent. The complex2b reacts with a further equivalent of xylNC in the presence of TlO3SCF3 in dichloromethane to form a red complex of composition [Re2Cl3(µ-dppm)2 (CO)(CNxyl)2]O3SCF3. 3, which has the open bioctahedral structure [(xylNC)2ClRe(µ-dppm)2ReCl2(CO)]O3SCF3. This is a third isomeric form of this dirhenium cation: the previously isolated green and yellow forms have edge-sharing bioctahedral structures. Crystal data for3 at 295 K: orthorhombic space group Pbca (No. 61) witha=22.654(5) Å,b=22.717(4) Å,c=27.324(4) A,V= 14061(7) Å3, andZ = 8. The structure was refined to R = 0.059 (R, = 0.134 ) for 14164 data. The Re-Re distance is 2.3833(8) Å.
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  • 7
    ISSN: 1572-8854
    Keywords: Ruthenium(II) ; bipyridyl ; phenyldi(o-tolyl)phosphine ; solvate ; hydrogen bonding ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complexcis-[Ru(bpy)2{PPh(o-tolyl)2}Cl+][ClO4 −] crystallized from a solution in dichloromethane as the dichloromethane-water solvate. The structure was refined toR=4.5% for those 2433 reflections with |F o|〉6σ(|F o|). The octahedral Ru(II) cation is associated with metal-ligand distances as follows: Ru−Cl=2.434(3)Å, Ru-PPh(o-tol)2=2.382(2)Å, and Ru−N=2.037(7)–2.088(7)Å. The structure is stabilized by a hydrogen-bonded CH2Cl2...ClO4 −...H2O channel which incorporates adventitious water of crystallization.
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  • 8
    ISSN: 1572-8854
    Keywords: Silver ; stearate ; triphenylphosphine ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of [bis-triphenylphosphine-silver(I) stearate], [((C6H5)3P)2Ag(O2C(CH2)16CH3)], has been determined by single crystal X-ray analysis: the space group is PT witha=12.021(4),b=13.916(5)1,c=14.678(5) Å, α=95.952(5), β=101.249(6), γ=93.259(5)°,V=2388(2) Å3, andD calc=1.293 g/cm3 forZ=2. The silver is four coordinate: the carboxylate symmetrically chelates the silver while the triphenylphosphine ligands occupy the third and fourth coordination sites. The strong bonding nature of the phosphine ligands, as indicated by the Ag−P bond lengths, 2.446(3) and 2.424(3) Å, dominates the coordination sphere of the silver and forces the initial carboxylate ligand to rearrange from bridging to chelating resulting in weaker Ag−O bonds, as indicated by the extended Ag−O bond lengths, 2.399(8) and 2.449(8) Å. Unlike the free acid, the long hydrocarbon chain is not linear, and exhibits disorder in the lattice. The structure of the title complex explains the dramatic shift in solubility properties compared to the starting phosphine free silver carboxylate.
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  • 9
    ISSN: 1572-8854
    Keywords: Ruthenium(II) complex ; organoruthenium compound ; bis(1,2-diphenylphosphino)ethane ligand ; ruthenium-nitro complex ; crystal structure ; cyclopentadienyl derivative ; methanol solvate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title complex crystallizes in the centrosymmetric monoclinic space group C2/c (No. 15) withZ=8. The structure was refined toR=4.49% for those 2745 independent reflections with 2θ=5–50o and |F σ|〉6σ(F). Ruthenium-ligand distances are as follows: Ru-P=2.284(2) and 2.286(2) Å, Ru-NO2=2.049(6) Å and Ru-C(Cp)=2.210(10)-2.246(9) Å. Bond lengths within the nitro ligand are N(1)-O(1)=1.226(10) Å and N(1)-O(2)=1.244(10) Å. The methanol of solvation is ordered but is subject to large thermal vibrational motions.
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  • 10
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 26 (1996), S. 461-465 
    ISSN: 1572-8854
    Keywords: Molecular dynamics ; crystal structure ; TOT clathrate ; thiophene
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Tri-o-thymotide (TOT) forms a cage-type clathrate with the thiophene guest molecule in a host:guest ratio of 2∶1. This clathrate crystallizes in the trigonal system (space groupP3121). The unit cell, of dimensionsa=b=13.585(4),c=29.914(12)Å, contains 6 TOT and one thiophene molecule. The crystal structure, established by direct methods (R=0.053), indicates that the host cavity has an oblate-ellipsoid shape with a crystallographic twofold axis parallel to the largest dimension of the cage. The guest molecule within the cavity is disordered. Molecular dynamics simulations have been performed and indicate that the guest molecules have hindered molecular freedom around the shortest ellipsoid axis of the cavity, and may produce a dynamic disorder in the cage of the TOT clathrate.
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  • 11
    ISSN: 1572-8854
    Keywords: Ruthenium(II) complex ; tri-n-propylphosphine ; terpyridine ; ruthenium-nitro complex ; crystal structure ; disordered ligands
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complexmer,trans-[Ru(NO2)(trpy)(PPr3) 2 + ][ClO 4 − ]crystallizes in the centrosymmetric orthorhombic space group Pnma withZ=4. Both the ruthenium(II) cation and the perchlorate ligand lie about crystallographic mirror planes. The nitro ligand is not coplanar with the Ru(trpy) moiety and suffers from two fold disorder about its Ru−N bond such that the two sets of oxygen atoms have symmetry-related sites above or below the crystallographic mirror plane. The n-propyl groups within the PPr3 ligands suffer from disorder of their C(α) and C(β) atoms but share common C(γ) sites. Ruthenium-ligand distances are: Ru−PPr3=2.398(2)Å, Ru−NO2=2.053(7) Å, Ru−N(trpy, outer)=2.078(6) and 2.092(6) Å and Ru−N(trpy, central) =1.965(6) Å.
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  • 12
    ISSN: 1572-8854
    Keywords: Chromium ; carbonyl ; arene ; acetal ; crystal structure ; conformation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structures of the (benzene dialkylacetal)tricarbonyl chromium complexes [η6-C6H5-CH(OR)2]Cr(CO)6 (R=Me,1; Et,2), are reported. The compounds were examined as part of a study of the conformations of the tripodal tricarbonylchromium group. For [η6-C6H5-CH(OMe)2]Cr(CO)3,1, monoclinic,P21/c (# 14),a=15.235(1) Å,b=6.5304(5) Å,c=12.702 Å, β=103.197(1)o,Z=4. For [η6-C6H5-CH(OEt)2]Cr(CO)3,2, monoclinic,P21/c (# 14),a=9.859(3) Å,b=10.547(3) Å,c=15.138(3) Å, β=108.42(2)o,Z=4. The data show that the molecules adopt the expected “three-legged piano stool” structure. The carbonyl ligands in1 adopt an eclipsed arrangement with respect to the arene ring and its substituent, while those in2 are staggered. These conformations are consistent with the notion that the acetal substituent behaves largely as an electroneutral group, or at most as a weak electronic acceptor.
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  • 13
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 26 (1996), S. 389-392 
    ISSN: 1572-8854
    Keywords: p-Methoxyphenyltelluro ; x-ray diffraction ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract C23H18TeO,M r=437.97, $$P\bar 1$$ ,a=9.940(2),b=13.664(3),c=7.895(2) Å, α=80.60(1), β=69.71(2), γ=75.95(1)°,V=972.0(4) Å3,Z=2,R=0.041 for 2668 observed reflections. The Te−C bond distances are 2.109(5)Å and the C−Te−C angle is 96.0(2)°. The phenyl rings are planar to within experimental accuracy, making dihedral angles of 64.6(2), 65.3(2) and 31.1(3)°.
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  • 14
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 26 (1996), S. 403-406 
    ISSN: 1572-8854
    Keywords: Cyclotrithiazene ; arylaminophospine ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound (C6H5)2(OC4H8N)P=N−S3N3 crystallizes in the space group $$P\bar 1$$ with unit cell parametersa=9.3900(2),b=9.4747(1),c=11.3850(3) Å, α=95.73(4), β=96.85(6), γ=104.26(2)o, and Z=2. The tricoordinated sulfur of the cyclotrithiazene ring deviates from the mean plane of other skeletal atoms by 0.683(4) Å. The angle at this atom is the smallest in the ring and is enclosed by the longest S−N bonds observed in the ring.
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  • 15
    ISSN: 1572-8854
    Keywords: Copper(II) complex ; crystal structure ; coordination polymer ; betaine ; dicarboxylate ligand
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Three polymeric copper(II) complexes of a flexible double betaine, namely, [{Cu(L)Cl2(H2O)} n ]·2 n H2O (1), [{Cu(L)Br2(H2O)} n ]·2nH2O (2), and [{Cu(L)(H2O)4} n ](ClO4)2n ·2nH2O (3) [L=−O2CCH(Me3N+)CH2CH2CH(Me3N+CO2], have been prepared and characterized by singlecrystal X-ray analysis. Isomorphous complexes (1) and (2) crystallize in space groupC2/c (No. 15) witha=17.725(3),b=5.958(2),c=19.077(3) Å, β=110.70(1)o,V=1881.4(4) Å3, Z=4 anda=18.268(4),b=5.948(3),c=19.166(5) Å, β=109.08(2)o,V=1964.7(9) Å3, Z=4, respectively. Complex (3) belongs to space groupPĪ (No. 2) witha=6.203(1),b=9.293(2),c=12.035(2) Å, α=86.56(2), β=87.33(3), γ=71.23(2)o,V=655.4(2) Å3 and Z=1. The crystal structure of (1) and (2) features an infinite zigzag chain composed of an alternate arrangement of metal atoms and double betaines ligands, with each Cu(II) atom in a distorted CuX2O3 [X-Cl, Br] square-pyramidal geometry, and hydrogen bonding between adjacent chains leads to a layer structure concentrated the (200) family of planes. Complex (3) exhibits a layer structure corresponding to the (001) family of planes, in which neighboring chains constructed from the metal atoms and the double betaine ligands are cross-linked by hydrogen bonding between the aqua ligands. The Cu(II) atom is coordinated in a CuO6 octahedral geometry with Jahn-Teller distortion.
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  • 16
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 26 (1996), S. 503-508 
    ISSN: 1572-8854
    Keywords: Tin(IV) sodium(I) complex ; ethylenediaminetetraacetic acid ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract NaSn(OH)(edta)(H2O) is monoclinic, space groupP21/c, witha=9.747(3)Å,b=9.121(3)Å,c=16.430(6)Å, β=98.69(4)°, Å3, andZ=4. The coordination environment of Sn(IV) is a capped octahedron. Sn−O distances range from 1.990(6)Å to 2.351(7)Å. Na(I) is five coordinated to three different edta molecules. Na−O distances range from 2.283(9)Å to 2.414(7)Å. The edta ligand presents the E, G/R conformation. The crystal structure is composed of sheets parallel to (001): inside a sheet Sn(OH)(edta) molecules are connected to each other by the Na(I) interactions.
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  • 17
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 26 (1996), S. 515-518 
    ISSN: 1572-8854
    Keywords: Antiarrhythmic agent ; crystal structure ; absolute configuration
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes in the orthorhombic space groupP212121, withZ=4,a=4.770(1)Å,b=6.620(1)Å,c=37.550(7)Å,R=0.04. The most important factors affecting conformation of the molecules are: the protonation state of the N(9) atom andortho-substitution of the benzene ring in the acetanilide system. Protonation promotes an extended form of the molecule and 2,6-substitution forces a twist of at least 60° between the benzene ring and amide group planes. The resulting separation of lipophilic (xylidine) and amine groups, being two important pharmacophores, equals about 5Å in tocainide and all other structures comprising the amino-2,6-dimethylacetanilide system.
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  • 18
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 26 (1996), S. 553-557 
    ISSN: 1572-8854
    Keywords: Silver(I) complex ; synthesis ; crystal structure ; spectroscopic properties
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The reaction of [Ph3PAgI]4 with sodium phenylacetate in MeOH and CH2Cl2 at room temperature gave rise to a binuclear silver complex with triphenylphosphine and phenylacetate mixed ligands, [Ph3PAg(O2CCH2Ph)]2. The crystal and molecular structure of the complex has been determined by single crystal X-ray diffraction analysis. The space group is $$P\bar 1$$ witha=9.198(2),b=9.516(2),c=13.842(3) Å, α=102.00(3), β=108.34(3), γ=93.58(3)°,Z=1, andDc=1.506 g cm−3. The silver atoms are each coordinated by one phosphorus atom from triphenylphosphine and two oxygen atoms from the carboxylate groups in a T-shape. The complex is further characterized by its IR,1H, and31P NMR spectra.
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  • 19
    ISSN: 1572-8854
    Keywords: Ruthenium(II) complex ; tri-n-propylphosphine ; bipyridyl ; crystal structure ; disorder
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complexcis-[Ru(bpy)2(PPr3)Cl+][ClO 4 − ] · 0.5 (toluene) crystallizes as a racemate in the monoclinic space group P21/n. Both the PPr3 ligand and the toluene of crystallization are subject to disorder. Ruthenium—ligand distances are: Ru−PPr3=2.348(2) Å, Ru−Cl=2.426(2) Å and Ru−N(bpy)=2.035(6)–2.112(5) Å.
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  • 20
    ISSN: 1572-8854
    Keywords: Ruthenium(II) complex ; terpyridine ; triphenylphosphine ; ruthenium-nitro complex ; crystal structure ; pseudo-lattice
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complexmer,trans-[Ru(NO2)(trpy)(PPh3) 2 + ][PF 6 − ] crystallizes in the centrosymmetric monoclinic space groupP21/n withZ=4; the ruthenium atom lies close toy=1/4 and all data withh+l=2n+1 are systematically weak. The trpy ligand is not strictly planar, but has a “dish-like” geometry. The nitro ligand is rotated from the plane of the Ru(trpy) moiety, the N3Ru/NO2 interplanar angle being 32.5o. Ruthenium-ligand distances are: Ru−PPh3=2.418(4) Å and 2.429(4) Å, Ru−NO2=2.063(12) Å, Ru−N(trpy, outer)=2.100(12) Å and 2.116(12) Å and Ru−N(trpy, central)=2.004(11) Å.
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  • 21
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 26 (1996), S. 661-665 
    ISSN: 1572-8854
    Keywords: N,N′-bis(2-hydroxyphenyl)butanediamide ; crystal structure ; hydrolysis product
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of N,N′-bis(2-hydroxyphenyl)butanediamide has been determined. The molecule consists of two 2-hydroxyphenyl moieties which are attached (at the 2 position) to the two nitrogens of the butanediamide. The compound C16H16N2O4 crystallizes in the monoclinic space group P21/c witha=5.576(1),b=4.8853(6),c=25.397(6) Å and β=90.58(1)°.
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  • 22
    ISSN: 1572-8854
    Keywords: Organotin ; crystal structure ; flavone
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The 1∶1 adduct of chlorotriphenyltin with 2′,6′-dimethoxyflavone, (C35H29O4ClSn)Mr=667.78, crystallizes in the triclinic space groupP1 with the following data:a-9.094(2),b=12.369(3),c=14.674(3) Å, α=74.78(2), β=77.00(2), γ=73.06(3)°,V=1503.8(4) Å3,Z=2, Mo-Kα, μ=9, 8 cm−1,Dc=1.475 g cm−3, F(000)=676,T=293K. The structure was solved by direct-methods and has been refined to a finalR value (l〉3σ(I)) of 0.0301. The flavone coordinates to the tin atom through the carbonyl oxygen atom. The metal center exhibits a trigonal bipyramidal configuration with the three phenyl groups in equatorial positions.
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  • 23
    ISSN: 1572-8854
    Keywords: Betaine ; 4-dimethylaminopyridinioacetate ; hydrogen bonding ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystalline dihydrate and hydrochloride trihydrate of a new betaine, namely, L·2H2O (1) and [L2H]Cl·3H2O(2) (L=p-Me2NC5H4N+CH2CO2), have been synthesized and characterized by X-ray crystallography. Molecule L in compound1 [space groupPbcn, witha=15.732(3),b=7.894(2),c=18.304(4) Å, andZ=8] possesses approximateC s symmetry. The formation of hydrogen bonds by water molecules bridging neighboring carboxy oxygen atoms leads to an infinite two-dimensional network composed of a packing of two different kinds of 12-membered rings. In compound2 [space group PT witha=7.341(2),b=9.543(2),c=17.010(4) Å, α=82.43(2)°, δ=80.34(2)°, λ=74.05(2)°, andZ=2], the carboxylate groups of a pair of betaine molecules are bridged by a proton to form a dimeric cation L2H+ with a very strong asymmetric hydrogen bond of length 2.464(7) Å. The crystal structure features a hydrogen-bonded corrugated ribbon comprising an alternate arrangement of edge-sharing centrosymmetric (H2O)4(Cl−)2 and (H2O)4 rings running parallel to thea axis.
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  • 24
    ISSN: 1572-8854
    Keywords: Bidentate ligand ; crystal structure ; pyrazolyl group ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound lies on a site of C2 symmetry, with the two planar pyrazolyl moieties oriented at 86.1° to one another. The hydrogen atoms were located and refined.
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  • 25
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 26 (1996), S. 219-222 
    ISSN: 1572-8854
    Keywords: Steroid ; organometallic ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract 3α-Triphenylstannylcholest-5-ene (1) has been synthesised and its molecular structure has been determined by single crystal X-ray diffraction. Refinement in the triclinic space groupP1 witha=7.805(6),b=7.862(5),c=32.351(10)Å, α=90.87(8), β=94.77(8) and γ=101.15(4)o converged atR=0.063. One of the two crystallographically independent molecules in the unit cell has a patially disordered side chain. The bond lengths and valency angles about tin indicate some steric hindrance due to the proximity of one of the phenyl rings with the B ring of the steroid nucleus.
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  • 26
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    Journal of chemical crystallography 26 (1996), S. 841-846 
    ISSN: 1572-8854
    Keywords: Cu(II) resorcylidene aminoguanidine ; synthesis ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The tridentate Schiff base, β-resorcylidene aminoguanidine (RAG)1 was synthesized from 2,4-dihydroxybenzaldehyde and aminoguanidine and complexed with copper(II) to form a copper(II)-β-resorcylidene aminoguanidine (Cu-RAG)2 complex. X-ray diffraction analysis of compound2 (orthorhombic, Pnma,a=11.674(1);b=6.7198(7);c=17.836(2) Å) revealed a square-planar copper(II) cation with a tridentate·ligand bound through two nitrogen atoms (N1 and N3) of the aminoguanidine moiety and an oxygen (O1) of the monodeprotonated dihydroxybenzaldehyde function. The remaining coordination site was occupied by chloride and the structure was rigidly planar as demanded by the restrictions of the crystallographic space group. The unit cell contents exhibited an extended sheet-like structure constructed via hydrogen bonds both intermolecularly and involving two water molecules (O3 and O4) also restricted by the same mirror symmetry. The remaining water (O5) provided for interlayer hydrogen bonding.
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  • 27
    ISSN: 1572-8854
    Keywords: Pyrazolyl group ; crystal structure ; bidentate ligand ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound consists of two planar pyrazolyl fragments oriented at 73.0° to each other and linked to a common carbon atom. All hydrogen atoms were located unambiguously and their positions were refined.
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  • 28
    ISSN: 1572-8854
    Keywords: Ruthenium(II) complex ; bipyridyl ; diphenyl(o-tolyl)phosphine ; dichloromethane solvate ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The complexcis-[Ru(bpy)2 {PPh2(o-tol)}Cl][ClO4] crystallizes from dichloromethane as the sesqui-dichloromethane solvate. The complex crystallizes in the monoclinic space group P21/n with Z=4. The structure was refined toR=5.50% for those 2552 independent reflections with |F 0|〉6σ(|F 0|) The octahedral Ru(II) cation is associated with the following bond lengths: Ru-PPh2(o-tol)=2.360(3)Å. Ru−Cl=2.433(2)Å and Ru−N(bpy)=2.041(8)–2.095(8)Å. Both the perchlorate anion and the dichloromethane molecules of solvation exhibit large amplitudes of vibration. One dichloromethane molecule lies in a general position, the other lies about an inversion center and suffers from disorder.
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  • 29
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    Journal of chemical crystallography 26 (1996), S. 615-619 
    ISSN: 1572-8854
    Keywords: Disordered trifluoromethyl group ; quinoline ; crystal structure ; AM1 calculation ; mefloquine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallized in space groupPna21 with lattice constantsa=13.406(1),b=18.799 (4), andc=4.785(1). The molecule is essentially flat with only fluorine atoms, methylene hydrogen atoms, and the hydroxyl hydrogen atom out of the plane of the quinoline ring. Only one of the trifluoromethyl groups of the title compound is disordered following a pattern observed in other crystal structures. Quantum chemical calculations at the AM1 level are consistent with this phenomenon. Although the carbon atom of the fixed trifluoromethyl group is further from the quinoline nitrogen atom than the carbon atom of the disordered trifluoromethyl group, the fluorine atoms of the fixed trifluoromethyl group more closely approach the quinoline nitrogen atom by 0.3 Å if the C(8)−C(10) bond in the crystal structure is freely rotated.
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  • 30
    ISSN: 1572-8862
    Keywords: Niobium(III) ; edge-sharing bioctahedra ; di-p-tolylformamidinato ; thiomethoxide ; double-bond ; 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 NaEt3BH with Nb2(μ-SMe2)3Cl6 results in the transfer of a hydride ion to dimethylthioether with concomitant production of methane. Further reaction with potassium di-p-tolylformamidinate, KDTolF, yields Nb2(μ-SMe)2(μ-DTolF)2η2-DTolF:)2.2 toluene, 1. In the latter, two thiomethoxide ions and two DTolF groups bridge the trivalent niobium atoms. Each of the other two DTolF groups chelate a metal atom to give the molecule an edge-sharing bioctahedral structure, The niobium-niobium distance of 2.655(2) A is consistent with the presence of a double bond between the metal atoms.
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  • 31
    ISSN: 1572-9001
    Keywords: Cobalt complexes ; potassium squarate ; crystal structure ; molecular structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Compound (I), idealized as Br4Co3O14N8C16H41 (see text), crystallizes in the triclinic space groupP¯ 1 (No. 2) with cell constants ofa=7.4470(7),b=7.9648(4),c=15.2223(8),α=96.338(4)ℴΒ=93.504(6)ℴ,γ=112.894(6)ℴ,V=821.328 å3, and d(calc; MW=1065.97,z=1)=2.155 gm-cm−3. Data (3880 total reflections) were collected over the range 2ℴ ≤ 2θ ≤ 55ℴ and corrected for absorption (Μ=63.69 cm−1) using data from Psi scans. The unexpectedly isolated compound contains a [cis-Co(en)2Br(OH)]+ cation, while the anion contains a central Co(III) surrounded by two mondentate,trans-squarato ligands, twotrans-hydroxo, and two waters. The waters and hydroxy ligands were identified by determining, experimentally, the presence and positions of their respective hydrogens. Given the need for overall electroneutrality, one squarato ligand must be a dianion (Sq2−) and the other a monoanion (SqH−); however, since the ion bearing the squarato ligands sits at an inversion center, the hydrogen of the latter must be disordered. Refinement of the heavy atoms with anisotropic thermal parameters and fixed hydrogen positions (B's fixed at) led to the finalR(F) andR W(F) factors of 0.036 and 0.042, respectively. (I) was obtained during efforts to prepare [Co(en)2(squarate)]Br by the displacement of two chloro ligands from the coordination sphere of [cis-Co(en)2Cl2]Cl by K2 (squarate) followed by addition of NaBr. Compound (I) appears to be the first example of a coordination compound in which squarate2− and squarate H− anions are present as ligands to a transition metal ion. A search of the Cambridge file (to 1992) produced no known examples of Co(III) squarates. Thus, (I) appears to also be the first example of its kind.
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  • 32
    ISSN: 1572-9001
    Keywords: Protected tripeptide ; solution structure ; crystal structure ; X-ray analysis ; NMR analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The solid-state structure of Boc-Gly-Trp-Ala-OBut was determined by single-crystal X-ray diffraction analysis. The tripeptide gave crystals belonging to the orthorhombic systemP212121 and at 122.0(5) K:a=11.0663(12),b=14.107(2),c=17.275(2) Å,V=2697.0(5) Å3Z=4,R(F)=0.0259, andR w(F)=0.0695. The peptide adopts a type-Iβ-turn in the solid state with a single, rather weak, intramolecular hydrogen bond between the Boc-CO and Ala-NH groups (N⋯O 3.082(1) Å, 〈NH⋯O 167(1)°). The conformation of the Boc-Gly-Trp-Ala-OBut peptide has also been studied by1H NMR spectroscopy. The solvent and temperature dependencies of NH chemical shifts suggests that this hydrogen bond is broken and that all amide protons are solvent exposed in CDCl3 and (CD3)2SO.
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  • 33
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    Journal of thermal analysis and calorimetry 46 (1996), S. 719-731 
    ISSN: 1572-8943
    Keywords: aromatic polyimide fiber ; as-spun fiber ; crystallization ; crystal structure ; crystal unit cell ; draw ratio ; dry-jet wet spinning ; isotropic solution ; modulus ; self-elongation ; tensile strength ; thermal shrinkage stress ; thermal shrinkage strain ; thermomechnical analysis ; triclinic ; wide angle X-ray diffraction ; zone drawing
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Three aromatic polyimides based on 3,3′,4,4′-biphenyl-tetracarboxylic dianhydride (BPDA) and three different diamines 2,2′-bis(trifluoromethyl)-4,4′-diaminobiphenyl (PFMB), 2,2′-dimethyl-4, 4′-diaminophenyl (DMB) or 3,3′-dimethylbenzidine (OTOL) have been synthesized. These polyimides are soluble in hotp-chlorophenol,m-cresol or other phenolic solvents. Fibers have been spun from isotropic solutions using a dry-jet wet spinning method. The as-spun fibers generally exhibit low tensile properties, and can be drawn at elevated temperatures (〉380° C) up to a draw ratio of 10 times. Remarkable increases in tensile strength and modulus are achieved after drawing and annealing. The crystal structures of highly drawn fibers were determinedvia wide angle X-ray diffraction (WAXD). The crystal unit cell lattices have been determined to be monoclinic for BPDA-PFMB and triclinic for both BPDA-DMB and BPDA-OTOL. Thermomechanical analysis (TMA) was used to measure thermal shrinkage stress and strain. A selfelongation has been found in the temperature region around 450°C. This phenomenon can be explained as resulting from the structural development in the fibers as evidencedvia WAXD observations.
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  • 34
    ISSN: 1572-9001
    Keywords: Betaine ; sodium perchlorate ; crystal structure ; polymeric framework
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Three crystalline complexes of sodium perchlorate with different flexible double betaines [Na 2(L1)(ClO4)(H2O) n ](ClO4) n (1), [Na 3(L2)(ClO4)3(H2O)2 n ] (2), and [Na(L 3)(CH3OH)n]-(ClO4) n ·xnH2O (x=0.25) (3) [−O2CCH2N+Me2−(CH2) n -N+Me2CH2CO2 −,n=2 L1;n=3 L2;n=4 L3] have been synthesized and characterized by single-crystal X-ray structure analysis. Complex (1) comprises tetranuclear sodium units consolidated by betaine and aqua ligands, which are bridged by half of the ClO4 − anions to form layers matching the (200) planes, the remaining uncoordinated ClO4 − anions being accommodated between adjacent layers. Complex (2) possesses a double-layer polymeric structure with the sodium atoms bridged by ligand oxygen atoms to form columns running parallel to thea axis, which are interconnected by double-betaine ligands lying parallel to theac plane. All of the ClO4 − groups and water molecules are coordinated to the metal atoms. In complex (3) the chains composed of alternating eight-membered and four-membered metallocycles are cross-linked by the betaine ligands, which lie in the (020) and (01/1) families of planes, to yield a three-dimensional network. All of the ClO4 − groups and water molcules fill the resulting infinite channels running parallel to thea axis. Two unusual carboxylate coordination modes are identified, namelyμ 3-O andhapto-3-O plushapto-2-O′ in (1) and (2), respectively.
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  • 35
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    Russian chemical bulletin 45 (1996), S. 370-375 
    ISSN: 1573-9171
    Keywords: organic conductors ; bis(ethylenedithio)tetrathiafuIvalene ; mercury halides ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A new organic semiconductor, (ET)8[Hg4C112] · 2C6H6, obtained in the ET+-HgCl 3 − -PhF system has been studied by X-ray structural analysis. Radical cations of bis(ethylenedithio)tctrathiafulvalene (ET) in the organic layer of the structure are packed in stacks ofa-type. The average angle between the planes of ET cations from adjacent stacks is 50.1°. The anionic layer is formed by four-charge centrosymmetric [Hg4Cl12]4− complexes and benzene solvate molecules. A comparative crystal-chemical study of the salts obtained by the reaction in the ET+-HgX 3 − -PhY system (where X = Cl, Br, and I; Y = F, Cl, and Br) made it possible to reveal a substantial effect of the sizes of the X and Y atoms on the composition of the salts and on the structural characteristics of the layers, which are responsible for the various conductivities of these salts.
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  • 36
    ISSN: 1573-9171
    Keywords: substituted sulfur-containing cyclopentadienes ; cyclopentadienyl zirconium complexes ; dynamic behavior ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Chelating sulfur-containing cyclopentadienyl ligand tetramethyl(2-methylthioethyl)cyclopentadiene (1), was synthesized for the first time. Its sodium (2a) and lithium (2b) derivatives were isolated in the crystalline state. Starting from compound1 some novel ZrIV complexes were prepared: [tetramethyl(2-methylthioethyl)cyclopentadienylltriclllorozirconium (3), bis[tetramethyl(2-methylthioethyl)cyclopentadienylldichlorozirconium (4), and [pentamethylcyclopentadienyll [tetramethyl(2-methylthioethyl)cyclopentadienylldichlorozirconium (5). The crystal structures of3 and5 were determined by X-ray diffraction analysis. The dynamic behavior of complex3 in various solvents was investigated by1H and13C N MR spectroscopy. The S→Zr coordination bond was shown to exist in complex3 both in the crystalline state and in solution. No coordination of this type was found in compounds4 and5.
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  • 37
    ISSN: 1573-9171
    Keywords: cyclopentadienes with oxygen-containing substituents ; cyclopentadienyl zirconium complexes ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Several novel zirconium(iv) complexes with the chelating oxygen-containing cyclopentadienyl ligand, tetramethyl(2-methoxyethyl)cyclopentadiene, have been synthesized. [η5:η1-Tetra-methyl(2-methyl)cyclopentadienyl]trichlorozirconium (2), bis[η5-tetramethyl(2-methoxyethyl)cyclopentadienyl]dichlorozirconium (3), [η5-pentamethylcyclopentadienyl][η5-tetra-methyl(2-methoxyethyl)cyclopentadienyl]dichlorozirconium (4), and [η5-tetra-methyl(2-methylthioethyl)cyclopentadienyl][η5-tetramethyl(2-methoxyethyl)-cyclopentadienyl]dichlorozirconium (5) have been prepared from the corresponding lithium cyclopentadienide (l). The crystal structure of cyclopentadienyl complex2 has been established by X-ray analysis. The coordination O→Zr bond in compound2 exists both in the crystalline state and in solutions. No coordination of this type was observed in complexes3–5. Synthesized complexes2–5 are discussed in comparison with their sulfur-containing analogs.
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  • 38
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    Pharmaceutical research 13 (1996), S. 1003-1007 
    ISSN: 1573-904X
    Keywords: molecular simulation ; interfacial energy ; wettability ; crystal structure ; Monte Carlo method ; potential energy calculations ; contact angle
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Purpose. This study describes the development and application of a molecular simulation technique for investigating the solid-liquid interface. It attempts to relate the molecular and crystal structure to the observed wettability of solids. Methods. Molecular simulations have been carried out for the crystal-water interface of a series of N-n-alkyl-D-gluconamide crystals using the Monte Carlo technique. The molecular system simulated consisted of a layer of water bounded by two crystal slabs. The interfacial potential energies were calculated for the crystal-water interactions and compared with experimental enthalpy values obtained from contact angle measurements. Results. The simulations clearly reveal the distinct hydrophilic and hydrophobic nature of the respective (010) and (010) faces of these compounds. The distribution of water at the interface observed in the simulations is in accord with the nature of the crystal faces. The calculated interfacial potential energies are in the right ball park, but consistently higher than the experimental values. The disparity, however, is justifiable, resulting from the highly simplified model simulated. Conclusions. Using the developed molecular simulation technique one can calculate the wettability of a solid given the crystal structure. This approach represents an important step towards the goal of engineering crystals with desired wettability characteristics.
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  • 39
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    Colloid & polymer science 274 (1996), S. 1006-1011 
    ISSN: 1435-1536
    Keywords: Syndiotactic polypropylene ; cold stretching ; chain conformation ; crystal structure ; crystallization behavior
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract The influence of the chain conformation on the crystallization behavior of cold-drawn syndiotactic polypropylene (sPP) has been investigated. The conformational and structural changes depending on drawing conditions and thermal treatments has been observed by x-ray diffraction, infra-red spectroscopy and modulated differential scanning calorimetry. A nucleation and crystal growth model is introduced, which explains the low crystallinity of cold-drawn sPP.
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  • 40
    ISSN: 1572-9605
    Keywords: Y0.4Pr0.6Ba2−xCaxCu3O7−δ ; superconductivity ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Electrical Engineering, Measurement and Control Technology , Physics
    Notes: Abstract Y0.4Pr0.6Ba2−xCaxCu3O7−δ polycrystalline samples were prepared and investigated. The Ca substitution led to a structural variation toward tetragonal symmetry, possibly due to the structural modification within the Cu(1)O layer. Superconductivity and metallic conduction were recovered whenx≥0.2, giving one more evidence for the existence of the ion-size effect at the Ba site.
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  • 41
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    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 34 (1996), S. 1087-1093 
    ISSN: 0887-624X
    Keywords: topotactic polymerization ; 3-aminocrotonamide ; radiation polymerization ; crystal structure ; condensation polymerization ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Radiation-induced solid-state polymerization of 3-aminocrotonamide (3-amino-2-butenamide) was carried out at room temperature, in open air atmosphere and under vacuum condition. The polymer obtained was white powder, soluble in methanol, but insoluble in water. The nature of polymers were investigated by IR, UV, x-ray, DP-MS, and elemental analysis to elucidate the mechanism of the polymerization. The polymer was crystalline with melting point in the range of 245-255°C. The cell parameters and space group of monomer and polymers were determined from powder x-ray diffraction patterns. The similarity of crystal structures of monomer and polymer indicated a topotactic polymerization. It was shown by spectroscopic investigations and elemental analyses that the polymerization proceeds by condensation reaction with evolution of one mole ammonia per two combined moles of monomer through a free radical mechanism. © 1996 John Wiley & Sons, Inc.
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  • 42
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    Journal of inclusion phenomena and macrocyclic chemistry 26 (1996), S. 153-159 
    ISSN: 1573-1111
    Keywords: Cadmium cyanide ; crystal structure ; clathrate ; mineralomimetic chemistry ; dimethyl carbonate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Cd(CN)2·(CH3O)2CO (1) contains a mineralomimetic framework of Cd(CN)2 analogous to the low temperature form of cristobalite. The host framework is isostructural to those of previously reported Cd(CN)2·G compounds (G = CHCl2CH2Cl2, (CH3)2CHBr3). The dimethyl carbonate molecules in the adamantane-like cage display orientation disorder associated with the location of the carbonyl oxygen atom.
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  • 43
    ISSN: 1573-1111
    Keywords: Cyanocuprate(I) complex ; crystal structure ; three-dimensional framework ; bifurcated cyano group ; N-(2-aminoethyl)piperazine ; hydrogen-bond ; dimeric onium guest
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The title inclusion compound [{NH2(CH2CH2)2NCH2CH2NH2}2H][Cu4(CN)7] was obtained as single crystals from an aqueous solution containing CuCN, KCN, andN-(2-aminoethyl)piperazine. It crystallizes in the monoclinic space groupP2/n,a = 12.3829(9),b = 8.5970(9),c = 12.6633(7) Å, β = 109.984(5)°,z = 2,R = 0.035 for 2921 independent reflections. The inclusion structure is composed of the hydrogen-bonded dimeric onium guest [{NH2(CH2CH2)2NCH2CH2NH2}2H]3+ and the negatively-charged three-dimensional host [CU4(CN)7]3− in which the CN-bridged framework Cu(I) atoms are all tetrahedral. A polyacene-like one-dimensional array of hexagons cornered by Cu(I) atoms and edged by -CN- linkages is arrayed in parallel to theb axis and stacked approximately along the c axis. The Cu(I) corner shared in the one-dimensional array extends an N-coordinate CN group along the c axis to a pair of unshared Cu(I) corners for which the C end behaves as a bifurcated ligand to build up the three-dimensional host structure. The cavity is composed of two networks of the hexagons at the top and bottom and pillared by six 〉CN- groups and accommodates a dimeric guest ofN-(2-aminoethyl)piperazinium cations protonated at each 4-N with the cations being hydrogen-bonded to each other through the 2-NH2 groups sharing another H+.
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  • 44
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    Journal of inclusion phenomena and macrocyclic chemistry 26 (1996), S. 197-207 
    ISSN: 1573-1111
    Keywords: Crown ether ; nitromethane complex ; coordination isomers ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Single crystal X-ray diffraction analyses of two nitromethane complexes of furanotribenzo-21-crown-7 (1 and2) and the nitromethane complex of dibenzo-2l-crown-7 (3) are reported. The two nitromethane complexes1 and2 are polymorphic in that the macrocyclic ring adopts the ‘dentist's chair’ conformation in both structures, with a single nitromethane molecule coordinating to either the lower, concave (1) or upper, convex (2) face of the crown ether. Complex3 adopts an entirely different conformation with a coplanar arrangement of the crown ether oxygen atoms binding a single nitromethane molecule.
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  • 45
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    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 19 (1996), S. 137-142 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The equilibria and kinetics of adsorption of lysozyme and bovine serum albumin on the Fractogel-EMD tentacle-type cation exchanger and the Fractogel-TSK conventional cation exchanger have been studied experimentally by batch stirred-tank method. Adsorption equilibrium data corresponded well to the Langmuir isotherm. For both proteins, the tentacle-type exchanger exhibited a higher binding capacity than the conventional exchanger. This is attributed to the flexibility of the functional groups in the tentacle-type exchanger which enhance optimal electrostatic interactions. The dynamic data were analyzed by a simplified data model which lumped mass transfer resistances and intrinsic adsorption kinetics into a single rate constant. For both proteins, it was found that the tentacle-type exchanger showed a smaller lumped rate coefficient than the conventional exchanger. The difference in the values of the lumped rate coefficients was shown to be due to the influence of nonlinear equilibrium constants rather than due to any difference in rate of adsorption.
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  • 46
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    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 19 (1996) 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
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  • 47
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The paper briefly reviews the historical development of exergoeconomics, the existing methodologies, and their application. Particular emphasis is placed on the optimization of the design of new energy-conversion systems.
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  • 48
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A critical comparison of the strength and weakness of two optimization strategies for thermochemical process is made, i.e. pinch analysis and exergy analysis. Although both methods have a unique root, i.e. the minimization of the exergy losses, pinch analysis has evolved to become an instrument of direct and optimal design of a heat exchanger network while exergy analysis as such does not give an indication about process optimization. In combination with an adequate simulation code of a process, however, it can help to find the optimum process structure.
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  • 49
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    Chemical Engineering & Technology - CET 19 (1996), S. 215-221 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The growth of a thin liquid film surrounded by gas pocket(s), undergoing absorption with a zero-order chemical reaction, has been simulated by an apt mathematical model in order to study the influence of various parameters involved. The solution has been obtained semi analytically using Goodman's integral method and solving the resulting differential equation by a fourth-order Runge-Kutta numerical integration algorithm. The computations reveal the strong dependence of film growth on reaction rate, diffusivity, and molar volume whereas the effect of gas-pocket volume and initial film thickness are moderate.
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  • 50
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The optimal layout of a chemical plant is determined by both economic and environmental aspects. The mathematical approach to this problem is given by representing the process through a superstructure, including any foreseeable process topology. It is described by integer variables, whereas real variables arise from the unit models and the thermodynamic calculations. By including process constraints and an objective function, a Mixed Integer Nonlinear Programming (MINLP) optimization problem is postulated. In this paper MINLP algorithms are combined with a technique for the exergy analysis of chemical processes for the preliminary screening of process alternatives. The exergy analysis as a screening technique is advantageous due to a significantly smaller amount of required data and computing time, compared with true optimization, including cost estimation at an earlier stage of process synthesis and analysis. Thus, a broader solution space can be examined. The subsequent cost analysis has then only to be focused on a reduced set of parameters.
    Additional Material: 5 Ill.
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  • 51
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    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 19 (1996), S. 243-248 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Heat transfer from a buried pipe carrying a flowing liquid is analysed using a 3-dimensional geometry, transient modeling and numerical methods. The pipe is buried horizontally in soil whose initial surface temperature is assumed to be below that of the bulk soil and the pipe, and also below the freezing temperature of the liquid. The problem is solved using string-intersected-boundaries and a three-level alternating-direction-implicit finite-difference method. It is possible to predict the time taken for the fluid anywhere in the pipe to fall to its freezing point. The minimum burial depth needed so that the pipe does not freeze is also predicted. The simulation was run on an ordinary mainframe computer with very small computation times. The package developed can be used by designers such as pipeline, plant and water distribution engineers.
    Additional Material: 7 Ill.
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  • 52
    Electronic Resource
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    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 19 (1996), S. 272-282 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A chain growth model for heterogeneous secondary reactions is developed for the pyrolysis of large wood particles and the parameters determined by nonlinear optimization. The model takes both the volatile retention time and cracking and repolymerization reactions of the vapours with the decomposing solid as well as sutocatalysis into consideration. The extent of the secondary reactions is strongly influenced by the time and the ratio of the autocatalytic (propagation) reaction rate to noncatalytic (initiation) reaction rate. The wood which has a higher value of the autocatalytic/noncatalytic ratio also has a higher exothermic heat of reaction and yields a higher amount of final char residue. This fact confirms the heterogeneous secondary reactions lead to carbon enrichment of the final residue and are accompanied with an exothermic heat of reaction. The lower activation energies of the initiation and propagation reactions as compared to primary reactions (competitive reaction model consisting of weight loss and char forming reactions) confirm autocatalysis in large particles. The sealed reactor studies of small quantities of fine wood samples show that heterogeneous secondary reactions and not lower heating rates in large particles are the main source of char formed during the thermal decomposition of large wood particles. The model predictions are in agreement with the weight loss and temperature versus time curves over a wide range of particle size and furnace temperatures.
    Additional Material: 10 Ill.
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  • 53
    Electronic Resource
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    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 19 (1996), S. 315-323 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Intermig impellers have been postulated as very efficient for mixing highly viscous non-Newtonian fluids (such as xanthan and mycelial broths). However, no formal characterisation has been published and no fair comparisons have been made, based on accurate power drawn measurements and using equal number of impeller stages and equal diameter, if compared (for example) with the performance of Rushton turbines. Characterisation of the shape, size, and evolution of the well-mixed zones or “caverns” were correlated with power drawn, for single and dual Rushton turbines and for one- as well as two-stage Intermig unslotted impellers. Cavern evolution studies were carried out in a mixing tank (diameter=0.205 m, H/T=1.6) equipped with an accurate air bearing dynamometer. Carbopol 940 (0.25 wt.-%) was used as a model, transparent fluid. Impeller to tank diameter ratio was 0.53 for both impellers. Caverns were visualised by injecting methylene blue in the well-mixed zones. A single Rushton turbine developed larger caverns if compared with one-stage Intermig of the same diameter under power drawn below 1.5 kW m-3. At higher power drawn, both impellers behaved very similarly, reaching a limit in cavern volume of about 40% of the total liquid volume, even at very high (20 kW m03) power drawn. A similar trend characterised dual combinations: below 3 kW m-3, dual Rushtons gave larger cavern volume if compared with the performance of two-stage Intermigs. In either case, power drawn higher than 3 kW m03 was sufficient to mix more than 90% of the liquid volume. The presence or absence of the slot in the Intermig did not influence cavern development. Experiments with a smaller if compared with those obtained with the larger Intermig (D/T = 0.53).
    Additional Material: 11 Ill.
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  • 54
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Heat exchanger network synthesis (HENS) is a frequently encountered class of chemical engineering optimization targets. Besides its immediate relevance to practical, industrial applications, the HENS problem presents an adequate complexity class to test new technique of numerical optimization and benchmark them.This paper first sketches two established approaches to HEN optimization. The fist one is based on thermodynamic insight, while the second one uses MINLP techniques for rigid optimization. Afterwards an alternative approach based on the paradigm of evolutionary optimization is introduced. The newly developed optimizer module is coupled to the well known ASPEN PLUS simulator. The program package allows the optimization of parameters as well as network structure.
    Additional Material: 5 Ill.
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  • 55
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    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 19 (1996), S. 197-202 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Interfacial properties exert a fundamental influence on fluid/liquid separation processes, with the interfacial tension being an important quantity associated with mass transfer and mutual solubility of participating compounds. A better understanding of transport phenomena is achieved by obtaining interfacial tension data under different conditions of pressure and temperature and as a function of time. Generally, interfacial tension decreases with increasing pressure due to increased adsorption of the compressed fluid at the interface. In the case of considerable mutual solubility, interfacial tension further decreases with time as mass transfer into the bulk phase proceeds. Prediction of colloidal behaviour in a separation process requires acquisition of additional information on the presence of surfactants.
    Additional Material: 10 Ill.
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  • 56
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    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 19 (1996), S. 448-455 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A mathematical model has been developed to simulate the operation of an absorption-driven multiple-effect evaporator. The model is based on mass and enthalpy balances and heat transfer rate equations of the various components of the system. The model has been validated by comparing model predictions to experimental results from the operation of a four effect absorption-driven falling film evaporator coupled with a two-effect regenerator which operated using solutions of sodium hydroxide as an absorptive medium. The model predictions are in satisfactory agreement with the experimental results.
    Additional Material: 10 Ill.
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  • 57
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    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 19 (1996), S. 467-472 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Knowledge of the compression factor is essential for the transport, storage and utilization of natural gas. The normal way to determine this property is by using an equation of state (EOS) which utilizes the gas temperature, pressure, volume, and composition. In many industrial situations, the composition of the natural gas is not available, yet it is still necessary to calculate the compression factor. In this paper, we present an EOS which uses relative density, heating value, and diluent compositions to determine the compression factor. The applicable ranges of conditions are 220 to 500 K up to 70 MPa (-60-450°F up to 10,000 psia). The calculations agree with data within 0.1% average absolute deviatation up to 10 MPa with a maximum deviation of 1.9% near pure component critical points or mixture cricondentherms. The equation also extrapolates through data up to 70 MPa within 1.9% We present comparisons to data of AGA Report No. 8 and to data in the paper.
    Additional Material: 2 Ill.
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  • 58
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Complex configurations of distillation columns have been shown to consume less energy than simple configurations. These complex configurations mainly results from two considerations: either a feed split, where the condensing vapor from the top of the high pressure column is used to heat the reboiler of the low pressure column, or the overheads from a high pressure column in a distillation train used to reboil a column under lower pressure. Industrial experience shows that very often in these configurations there is still incentive for more energy reduction simply because of inefficient control. The energy integration increases the control loop coupling the system, so that the operating strategy for the columns is no longer apparent. Therefore, the dynamic behaviour and the operational constraints of such systems become very important. The use of rigorous dynamic model of the processes is an essential instruments to pursue the goal of good and reliable process control Such models allow the engineer to realistically simulate the process with the desired control system in place and to analyze the effects of equipment sizing, hest integration, and disturbances. Variable pairing proved is used to illustrate that effective control of energy-integrated distillation columns can be achieved by proper selection of manipulated variables and pairing them correctly with control variables. Hints will also be given, when multivariable predictive control schemes should be used.
    Additional Material: 16 Ill.
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  • 59
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    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 19 (1996), S. 514-525 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Many rectification processes are used to separate corrosive substances with high boiling points. This reports deals with a new type of structured column pacing mode of corrosion-resistant carbon fiber material. These column internals allows for low pressure drop at high throughput rated with reasonable column efficiency. Experiments in columns of 50 and 100 mm diameter have been carried out to investigated separation efficiency, pressure drop and liquid holdup of the packing even at low operation pressures. In the respective columns twp geometrical different types of packing have been tested using binary mixtures of chlorobenzene/ethylbenzene with a packing geometry similar to the Sulzer EX packing, the 100 mm diameter column was filled with elements of rougher structure and smaller specific surface. Basing on the experimental results, model equations are presented, which allow the calculation of the investigated performance characteristics.
    Additional Material: 14 Ill.
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  • 60
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    Chemical Engineering & Technology - CET 19 (1996), S. 432-437 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The wetting characteristics of fine powders play an important role in a variety of processes. The most important way of characterising the wettability of a fluid/fluid/solid system is to measure the contact angle. This paper describes a relatively simple method for the determination of the contact angle on powdery materials. The technique involves the measurement of the dynamic contact angle which is formed when a liquid drop is placed on a horizontal porous surface. On the basis of the measured dynamic contact angle as a function of time an “apparent” static contact angle has been defined, which gives a measure of the wettability of porous solid systems by analogy with the wetting of non-porous solids. Determinations with glass beads and NaCl-powders as the test materials indicate that the measured value depends on the particle size of the powder, the porosity and the temperature. It was concluded that the capillary penetration of the liquid droplet into the porous media itself influences the wetting characteristics.
    Additional Material: 12 Ill.
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  • 61
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    Chemical Engineering & Technology - CET 19 (1996), S. 456-461 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A new reactive distillation device, the multistage gas/liquid/solid three-phase fluidized bed, has been developed. The flow regimes of the multistage three-phase fluidized bed have been studied and the regimes can be divided into the liquid leakage regime, the dispersed bubble regime, and the coalesced bubble regime. Liquid velocity has a much smaller effect on phase holdups in this device than in conventional three-phase fluidized beds. The three phase fluidized bed is used as a reactive distillation device for the hydrolysis of methyl acetate. Much higher reaction conversion than the equilibrium value and high catalyst-contacting efficiency are obtained. Different methods of feeding the water into the reactive distillation section are studied.
    Additional Material: 9 Ill.
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  • 62
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Chemical engineering analysis using entropy production has been proven to be an essential tool to identify areas in chemical plants, where degradation of energy occurs. Though, applied very extensively in the area of heat exchanger networks in the form of “pinch technology”, the method is rarely used with respect to processes with mass energy. Entropy productions in destillation columns have been evaluated and discussed with respect to feed introduction, sequences of columns and other technically important features.
    Additional Material: 12 Ill.
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  • 63
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Exergy analysis is an excellent tool for locating weak spots in a process. Purposefully applied, it improve our insight and allow us to design processes systematically. Yet for many engineers exergy remains a difficult subjects. To make analysis easier and the results easier to interpret, therefore, we need the best possible exergy analysis tools. The commercial performance of both plant suppliers and operating companies depends heavily on optimization to reduce plant costs (in the widest sense) to a minimum. As an optimization tool in plant design, exergy analysis has to compete with parametric studied and, increasingly, with equation-based optimization programs.
    Additional Material: 5 Ill.
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  • 64
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: This paper presents results of temperature-programmed desorption (TDP) as a method for studying the acid and shape-selective properties of small- and intermediate-pore zeolites.A combination of an in situ infrared spectrometer and a downstream gas chromatograph for analyzing the desorption products is used to detect the desorption process. This is followed by a separate, newly installed microbalance facility.The studies shows that a part of the amines, esp. dimethylamine (DMA) and trimethylamine (TMA), adsorbed on the zeolites undergo decomposition, disproportionation and carbonization reaction during the TDP measurements at elevated temperatures. Comparison of the microbalance measurements and the gas chromatographic results give a good picture of the extent of these reaction.
    Additional Material: 20 Ill.
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  • 65
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    Particle and Particle Systems Characterization 13 (1996), S. 309-312 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Experimental investigations were carried out with mainly a Mogensen-Sizer, compared with test screening and additionally laser diffraction and light extinction, in order to check the qualification for on-line determination of particle size distribution under the specific conditions of feed milling. The different components of compound feed, the degree of milling, the difference in measured particle characteristics and the possibility of sample dispersion affect the comparability of the results. The results show that laser diffraction is a manysided method with accurate recording of the distribution. The modified Mogensen-Sizer can be a robust low-price alternative if the control of selected distribution parameters is sufficient.
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  • 66
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    Particle and Particle Systems Characterization 13 (1996), S. 301-308 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Laser diffraction (LD), with reference to the analysis time, is highly advantageous for the automation of particle size analysis. The high measuring frequencies alloy quasi-continous measuring operation. The fineness values obtained form the particle size distribution (PSD) can be transformed into electrical signals for automatic process control.For industrial purposes, an encapsulated measuring cell was developed where the laser beam penetrates the dispersed fines stream via two optical windows. Thus, hazardous materials can also be measured, specifically pharmaceutical or chemical products, or applications requiring explosion-proof plant design are possible. Great efforts had to be made to keep the inner side of the windows clean form product dust. Ultimately, batches running for more than 8 h could be analysed continuously without any contamination of the windows. For the PSD measurements, a standard LD instrument was used with a measuring range of 0.5/0.9-175 μm.As product fineness is monitored continuously in-stream, and virtually without delay, any changes in the fineness during classifier operation can be detected immediately. On the one hand, this opens up a new field for studies of classifier performance. On the other, immediate quality control of even very small batches is possible during the micronization process. The results demonstrate very clearly, for example, the importance of controlling the feed rate to the classifier. Therefore, fineness control by means of this in-line technique gives superior advantages for direct adjustment of the classifier speed.
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  • 67
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    Particle and Particle Systems Characterization 13 (1996), S. 313-321 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The precipitation of barium sulfate was investigated by photon correlation spectroscopic (PCS) measurements of the growing crystals combined with electrical conductivity measurements of the mother solution. Small silica seeds (36nm) were added to the solution. Therefore, heterogeneous nucleation did not take place on the walls and on the stirrer, which is usually the case, but on the seeds. Hence the growth of the crystals which had nucleated on the seeds could be studied by PCS. In order to avoid the ill-conditioned inversion of the measured raw data, the autocorrelation functions, a population balance model was used to calculate these functions with the help of a kinetic model taken from the literature. The measured an the calculated autocorrelation functions could coincide and adjustable parameters were found from a least-squares fit. The measurements revealed that nucleation is strongly enhanced by PMA-PVS (polymaleic acid-polyvinylsulfonic acid). However, a simple model which assumes langmuir adsorption of PMA-PVS on the crystal surface did not describe the kinetics very well. The nucleation rate in the absence of the additive was found to be J=1.3·1010 exp(-27/In2S) [m-3s-1], while the growth rate was G=2.6·10-8(S-1)2/3 S1/3 exp(-29/3 In S) [ms-1]. These results match results taken from the literature fairly well.
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  • 68
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    Particle and Particle Systems Characterization 13 (1996), S. 322-326 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: During the spherical agglomeration process, a suspended solid is agglomerated by adding a binding liquid. First, mircoagglomerates or flocs are produced, which are compacted in the course of the process. Agglomerate size was evaluated by laser diffraction spectrometry, image analysis was used to determine the size and some adequately defined shape parameters calculated by Fourier analysis of the particle contour.The shape analysis confirms the visual observations; the compaction of the flocs is expressed by the corresponding change of the shape parameters. The influence of several process parameters on changes in agglomerate shape can be described quantitatively and help to gain an insight into agglomeration mechanisms. The particle size distributions determined by image analysis and laser diffraction spectrometry hardly differ for fairly spherical flocs or agglomerates. Concerning the size distribution of the irregular flocs, laser diffraction spectrometry measures larger particles than image analysis.
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  • 69
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    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 13 (1996) 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
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  • 70
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    Particle and Particle Systems Characterization 13 (1996), S. 343-349 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Response of a phase Doppler system to irregularly shaped particles is examined and shown to deviate qualitatively as well as quantitatively from the spherical particles. Nevertheless, the measured phase distributions based on an ensemble of particles exhibit a high degree of order and simplicity. The experimental data and the stochastic modeling of the process have shown that the phase Doppler technique can be used successfully for in-situ sizing and velocimetry of irregular particles. In the case of irregular crystalline particles, mean size and standard deviation can be deduced without requiring any assumptions regarding the functional form of the size distribution. As opposed to other optical techniques, phase Doppler can be used, in principle, near the backscattering location, so that a single optical window would be employed for transmission of laser light and collection of the scattered signals. Furthermore, size measurements can be velocity-resolved, i.e. a size distribution can be associated with each bin of the velocity histogram.
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  • 71
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    Particle and Particle Systems Characterization 13 (1996), S. 10-17 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The particle size distribution of crystalline solids has progressively become a key parameter in manufacturing processes, as important as chemical purity. Among the particle size determination and counting systems available on the market, very few offer the possibility of continuous in situ monitoring of the particle size evolution during crystallization. For this reason, much interest has been aroused by the appearance of the Par Tec 100, patented by Laser Sensor Technology [1, 2]. A study has been carried out in a stirred vessel to verify the precision and reproducibility of particle size measurement and elucidate the influence of experimental parameters on data accessible with this instrument. Optimum reproducibility has logically been achieved by fixing the highest possible cycle time and taking the mean of several cycles. Determinations with the Par Tec 100 are influenced variously, according to whether they relate to the total number of particles counted or to the mean size. Thus, the number of counts measured by a particle size probe largely depends on the operating conditions and more particularly on the hydrodynamic conditions, solvent, temperature and focal point position. Its dependence relative to the concentration of the solid in suspension is normal and linear for a solid and for a given monodisperse sample. To establish the relationship between the number of counts and the population density would therefore necessitate delicate calibration on a case-by-case basis. The mean size determined does not depend on suspension homogeneity, provided that the stirring speed is sufficient for a statistically significant total count. On the other hand, for a given sample, a displacement of the focal point can lead to considerable variations in the size determined. The optimal focal point position for small sizes is in fact highly sensitive. Lastly, the optimal position of the focal point is considerably dependent on the true size of the particles, which means that this counter is unsuitable for the precise analysis of a dispersed sample since each particle size class would require a different setting of the focal point. In addition, the sizes determined, irrespective of the products studied, appear to be underestimated for large particles and over estimated for small particles.
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  • 72
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    Particle and Particle Systems Characterization 13 (1996), S. 47-53 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Electrically active fibrous filters, that is fibrous filters whose fibres carry a permanent electric charge, are an increasingly popular alternative to conventional fibrous filters in applications where low pressure drop and high collection efficiencies are critical. The advantage of these materials is the additional collection efficiency, due to electrostatic mechanisms, that can be achieved without pressure drop increase. The efficiency of these materials can fall as they are loaded with aerosol particles, so it is necessary that proper account be taken of this process during use. A complete understanding of the mechanisms responsible for this reduction in efficiency has not yet been reached. An experimental study has been undertaken at Loughborough University of Technology investigating the loading behaviour of a mixed fibre type electrically active material. The experimental techniques used in this work and experimental findings with a range of aerosol particle sizes are reported here.
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  • 73
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    Particle and Particle Systems Characterization 13 (1996), S. 178-178 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
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  • 74
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    Particle and Particle Systems Characterization 13 (1996), S. 179-185 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The production of liquid sprays represents a key technology for a wide range of industrial proceses. Most applications currently use pressure or air-assisted atomization, resulting in the production of polydisperese sprays. Recent advances in experimental and numerical techniques for investigating liquid spraying processes, however, have enabled a closer examination of parameter optimization, leading to the conclusion that in may cases, a much narrower size distribution, or even a monodisperse spray, may exhibit many advantages. Currently monodisperse droplet generators, or drop-on-demand generators, do not meet this challenge of producing monodisperse sprays, primarily owing to the very low volume flow rate of liquid which is atomized. In the present work, a monodisperse sprya generator is introduced, which overcomes this difficulty for many applications.
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  • 75
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    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 13 (1996), S. 186-191 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Measurements of droplet deformation during wall impingement were performed for ethanol droplets and water droplets with diameters ranging from 100 to 200 μm. The wall temperature is well above the Leidenfrost temperature of the droplet liquid. With monodisperse droplet streams and a special illumination technique, slow motion images of the phenomena can be obtained. Measurements with high temporal resolution below 1 μs are possible using a standard video camera. The experimental results are compared with numerical results, which were obtained by solving the three-dimensional Navier-Stokes equations for incompressible fluids including surface tension effects. The fluids are treated with the volume-of-fluid method and the free surface is modeled according to the continuum-surface-force model. Numerical and experimental results show good agreement.
    Additional Material: 9 Ill.
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  • 76
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    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 19 (1996), S. 20-27 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The aim of this work is a fluid dynamics study of the structured packing Sulzer BX gauze. A new model is proposed which, on the basis of a knowledge of the dynamic component of the liquid holdup, permits calculation of the fraction of the geometric area of the packing that effectively participates in the mass transfer. Both the metal and plastic versions of the packing are studied. Experimental data are supplied on the absorption of pollutants such as HCl and SO2 by aqueous solutions of NaOH in columns in cocurrent operation. The results obtained by the proposed model are in good agreement with experimental data obtained by the present authors as well as with experimental data published in the literature.
    Additional Material: 9 Ill.
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  • 77
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    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 19 (1996), S. 39-42 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A new Paradigm has been developed fro the prediction of maximum stable diameter of viscous drops in turbulent dispersions using the Voigt model. The model assumes that a drop would break if its deformation reaches unity. The prediction from the model compares quite well with the available experimental results.
    Additional Material: 4 Ill.
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  • 78
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    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 19 (1996), S. 67-74 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: In the field of fine chemicals batch process the implementation of synthesis paths results most often in the determination of the optimal operating conditions on a bench scale apparatus; successive scale-ups are then handled in an empirical way.For multi-phase reactions, this approach can be limited due to the coupling between the chemical kinetics and the physical kinetics of the mass transfer. This work proposes a more rational approach for the overall synthesis of Amiodarone, a widely used anti-arrhythmic drug produced by a liquid/liquid/solid reaction. After analysing the reaction scheme and identifying the limiting steps of the process, a simplified model is proposed to describe the overall process kinetics. The latter is used to model a continuous pilot loop-reactor packed with static mixers.
    Additional Material: 9 Ill.
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  • 79
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    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 19 (1996), S. 89-95 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The dynamic behavior of a Pt-Rh/CeO2-Al2O3 three-way catalyst (TWC) under pulsed flow operation conditions (intermittent mode), such as occur in a newly developed hybrid drive system, has been studied experimentally in a laboratory apparatus with simulated exhaust gas. The parallel hybrid system is based on the combination of an Otto-cycle engine with an electric motor and a flywheel providing a short-term energy storage. This configuration permits intermittent charging of the flywheel by the combustion engine which runs only during about 10% of the driving time. Each exhaust gas pulse (duration typically ca. 3 s) is proceeded by an air pulse, which results from the filling of the engine cylinders with air at start up and shut off. Experimental studies indicated that the air pulses have a negative impact on the performance of the catalytic converter, reducing the inherent benefits resulting from the intermittent operation mode of the combustion engine.Forced asymmetric λ-cycling during exhaust pulse was found to be most beneficial for improving catalyst performance. A simple reduced kinetic model derived from a Langmuir-Hinshelwood model for CO oxidation, which was extended by introducing CO and O2 equivalents to mimic the complex exhaust gas, was used to describe the dynamic behavior of the TWC. The model proved to be useful for finding the optimal λ-cycling conditions. Experiments with the real Otto-cycle engine exhaust proved that the reduced kinetic model is suitable for use in a closed loop λ-control.
    Additional Material: 8 Ill.
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  • 80
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    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 19 (1996), S. 117-126 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: When appropriate membrane was used for the assistance of chemical and biochemical equilibrium reactions, it is possible to enhance the yield and the purity of the reaction product by selectively adding educts or selectively removing products and to a lower the energy input and the reaction time compared to conventional process.In this paper a review on membrane reactors with special emphasis on membrane-assistance of esterification reactions and a continuous tube membrane reactor for the pervaporation-assistance of the esterification are presented. The heterogeneously catalyzed esterification of ethanol and acetic acid to ethyl acetate and water was investigated as a typical chemical equilibrium reaction.The selective and simultaneous water separation from the reaction mixture of the esterification with polyvinyl alcohol pervaporation membranes is considered to be an interesting process alternative to the conventional distillation process. Compared to the distillation process, for the pervaporation-assisted process a decrease of the energy input of over 75% and of the investment and operating coasts of over 50% each was calculated.
    Additional Material: 15 Ill.
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  • 81
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    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 19 (1996), S. 28-33 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Existing design codes propose different methods for the analysis for the junction region of conical and toriconical shells (limit analysis, shake down analysis, Kellog design approach, area replacement method) submitted to internal pressure load. However, now it is possible to develop generally valid an very precise guidelines based on linear and nonlinear Finite Elements-Analyses. A clear difference is made between design with respect to fatigue strength and design according to load carrying capacity criteria. A. Major advantage of the Finite-Elements-Method(FEM) is the opportunity of its adaptation to given design criteria such as a strain limit or a plastification limit. It shown how design curves can be directly derived from the FE-analysis with respect to fatigue strength (stress concentration factors) and load carrying capacity (design factors for the calculation of a required wall thickness). The materials behavior in the plastic region is considered with an without strain hardening. Large deformation effects as geometric nonlinearities can be involved in the analysis. The method can easily be applied for the analysis of other pressure vessel components.
    Additional Material: 7 Ill.
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  • 82
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    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 19 (1996), S. 34-38 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: We developed the oxidation reaction of Cu(I) ion in aqueous hydrochloric solution by oxygen in a gas-lift capillary bubble column. The method of gas-liquid absorption with chemical reaction was used. Test data confirmed that the rate constant of the reaction is strongly affected by solution compositions, and that chloride ions induce an inhibition effect. The kinetical orders found are equal to 1 and 2 for oxygen and Cu(I) respectively. The influence of temperature on reaction rate constant showed the existence of a maximum value between 303 and 313K. The effect of gas-liquid of gas-liquid system on the liquid-side mass transfer coefficient kL was also investigated.
    Additional Material: 6 Ill.
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  • 83
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    Weinheim : Wiley-Blackwell
    Chemical Engineering & Technology - CET 19 (1996) 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
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  • 84
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    Chemical Engineering & Technology - CET 19 (1996), S. 103-112 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Comparative calculations of several methods of characterization for three multicomponent mixtures that include paraffin, naphthene, and aromatic fractions are shown. Each method requires different experimental information about the mixtures but all use the numerical Gauss-Legendre quadrature. The results show that characterization making direct use of the TPB distillation curve is the most suitable approach for characterizing complex multicomponent mixtures.
    Additional Material: 9 Ill.
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  • 85
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    Chemical Engineering & Technology - CET 19 (1996), S. 143-153 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Whole mean gas hold-up εg, liquid recirculation velocity U1d and mixing time tm were measured in a 0.12 m3 airlift reactor, with an external recirculation loop (ALR-EL), which was used for the production of the exopolysaccharide, Scleroglucan, by cultivation of the filamentous fungus, Scleroticum glucanicum. Under identical fermentation conditions, the effects of air flowrate and the viscosity of the culture fluid on εg, U1d, and tm were investigated. In the range studied, empirical correlation for εg, U1d and tm with both superficial velocity Ugr and consistency coefficient K were obtained and expressed separately.
    Additional Material: 9 Ill.
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  • 86
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    Chemical Engineering & Technology - CET 19 (1996), S. 357-363 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Affinity separation can be achieved by batch and fixed bed modes. Mathematical models including film mass transfer, intraparticle diffusion, and reversible reaction are formulated for both fixed bed and batch adsorption processes. Orthogonal collocation method is used to numerically evaluate the performance of batch and fixed bed adsorption. The efficiencies are evaluated in terms of both the solute recovery and adsorbent utilization. The effect of the following parameters is simulated for the comparison purpose: solute concentration, reaction kinetics, ligand content, and particle size. Fixed bed mode is found to be efficient.
    Additional Material: 9 Ill.
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  • 87
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    Chemical Engineering & Technology - CET 19 (1996), S. 550-552 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A mathematical model of the absorption of HCI gas in a spray dry tower has been proposed. The proposed model describes the mechanism of HCI removal talking into account atomized droplet size distribution and the change in the droplet state from “slurry droplet” to “dry particle”. It is found that the removal efficiency can be simulated by using the model with the constant mean diameter of droplet from the simulation results. Simulation results of the removal of HCI gas are in good agreement with the experimental data in a spray dry tower.
    Additional Material: 2 Ill.
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  • 88
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    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 13 (1996), S. 224-224 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
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  • 89
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    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 13 (1996), S. 217-223 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Ultrasonic standing wave atomization (USWA) is a new process capable of atomizing both high surface energy liquids and highly viscous liquids. Atomization is achieved through acoustic forces acting upon a liquid jet which is guided into the central pressure node of a standing wave field. Spherical metal powders with minimum mass median diameters of less than 15 μm have been produced from metal melts with surface tensions of about 0.5 N/m. Organic liquids with viscosities between 1 and 10 Pas have been atomized, yielding mass median diameters from 20 to 330 μm. The influence of different operating parameters on the mass median diameter of metal melts and highly viscous liquids was evaluated. Parameters which were varied were ambient gas pressure, vibration amplitude of the transducers, mass flow rate, density of liquid, viscosity of the liquid, surface tension and the outlet diameter. The powders and sprays were analyzed with laser diffraction particle sizers. The physical background of the atomization process is discussed and an equation for the prediction of the mass median diameter is derived.
    Additional Material: 12 Ill.
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  • 90
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    Weinheim : Wiley-Blackwell
    Particle and Particle Systems Characterization 13 (1996), S. 327-332 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: This paper describes the evaluation of the transfer function for the TSI-short differential mobility analyzer (DMA) in the nanometer particle size rang. The TSI-short DMA is identical with the TSI-long DMA (Model 3071) but has shortened inner and outer electrodes and the insulator material Teflon was replaced by black Delin. The DMA transfer function was determined by operating two identical DMAs in series. The DMA was investigated at a sheath to aerosol flow rate ratio of between 10 and 1. Usually for particles above 50 nm the parameters of the assumed triangular transfer function, i.e. height and half-width, approach the ideal values, which depend only on the flow ratio. For particle size below 50 nm the height decreases from 0.9 at 50 nm to 0.18 at 5 nm. The half-width increase from the ideal value 0.1 to about 0.17. The observed changes of the transfer function are due to diffusional effects resulting in losses mainly in the inlet and outlet and also broadening of the aerosol stream inside the DMA. The determined transfer functions were also compared with transfer functions calculated using a theoretical model. The agreement proved to be satisfactory. The half-widths and the transmission efficiencies of the conventional TSI-DMA (Model 3071), TSI-short with Teflon and also black Delin insulator as a function of particle size are compared to demonstrate the improvements in performance.
    Additional Material: 12 Ill.
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  • 91
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    Particle and Particle Systems Characterization 13 (1996), S. 342-342 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
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  • 92
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The influence of the measurement volume can be investigated by using extended geometrical optics, which is based on geometrical optics by including the amplitude and phase distribution in the laser beam. The dynamics in phase Doppler anemometry can be analysed, in addition to effects of the particle size-dependent detection volume. Extended geometrical optics has been developed as a powerful tool to investigate these influences for each order of light scattering separately. Phase errors caused by Gaussian-beam intensity distribution and the curvature of the wave fronts beyond the beam waist can easily be calculated. According to Part 1 (Reflective Mode Operation), the influence of the particle trajectories on measured phase and mass concentration is simulated for refractive mode operation.
    Additional Material: 12 Ill.
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  • 93
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    Particle and Particle Systems Characterization 13 (1996), S. 192-195 
    ISSN: 0934-0866
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The particle size distribution of an aerosol generated from an aqueous system is difficult to analyse because of the shrinkage of the droplets due to solvent evaporation. These problems are very important for the characterization of medical nebulizers, since most of the drugs delivered via inhalation are water soluble. In situ methods for droplet size analysis, such as laser diffraction, phase Doppler anemometry and light scattering, do not determine either the initial or the equilibrium size distribution. With the residual technique, which means evaporating the droplets and measuring the size and concentration of the residuals, the instability of the aqueous droplets plays no role and the necessary radioactive labelling of the sprayed material allows a direct determination of the mass flow rate at the mouthpiece of the nebulizer. In this way it is possible to discriminate between the delivered drug solution and the water necessary to humidify the incoming air. The output of nebulizers of different designs is given for various operating conditions, filling volumes and solution concentrations. The measured droplet size distribution of a nebulizer is found to be fixed mainly by its internal impaction system.
    Additional Material: 7 Ill.
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  • 94
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    Chemical Engineering & Technology - CET 19 (1996), S. 1-10 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: An account is given of the patented technique of the rotational particle separator for separating solid and liquid particles of diameter 0.1 μm and larger from gases. Attention is focused on the working principle, fluid mechanical constraints, particle design, separation performance, power consumption, dimensions, filter cleaning and costs. Furthermore, an overview is given of current developments to introduce this technique in industrial dust removal, in electricity generation and in the consumer goods market. The article concludes with a summary of the feature which distinguish this technique from existing filtering methods.
    Additional Material: 9 Ill.
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  • 95
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    Chemical Engineering & Technology - CET 19 (1996), S. 50-64 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: Three-Phase fluidized bed bioreactors have advantages over conventional chemical reaction systems. There is a lack of agreement over most major operational conditions, and a wide range of design variables are open to question. A large body of recent work in the field has been reviewed, with a degree of historical comparison and discussion.It has been found that aspects of fluidized bed biofilm reactors of vital importance include: choice of solid media, gas and liquid loadings, bacterial type and reactor mechanical design. A large proportion of the work in the field of three-phase fluidization is non-biologically specific, or not tested on a bacterially inoculated system.The majority of three-phase fluidized bed bioreactor work is in the field of water treatment. Although this work has highlighted the potential for use of bio-fluidized beds for this application, there are still specific problems hindering the large scale industrial acceptance of three-phase fluidized bed bioreactors.
    Additional Material: 2 Ill.
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  • 96
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    Chemical Engineering & Technology - CET 19 (1996), S. 75-78 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The process of recrystallization of apatite phosphogypsum (PHG) in a solution ammonium sulphate (AS) with the subsequent decomposition of the binary salt was investigated and the resulting highly dispersed products with a low P2O5 content have been discussed. The following effects were examined: (NH4)2SO4 concentration, the quantity of ammonium sulphate, the reaction temperature of phosphogypsum with (NH4)2SO4 solution, the time of treatment of phosphogypsum with (NH4)2SO4 solution and the decomposition of the binary salt, as well as the liquid/solid ratio for the binary salts, Based on the results of the chemical and X-ray analysis, it was established that, depending on the technological conditions of the process of recrystallization, binary salts of (NH4)2SO4·CaSO4·H2O and of (NH4)2SO4·CaSO4·H2O and of (NH4)2SO4·5 CaSO4·H2O were formed. As a result of the investigations carried out, a product with a low P2O5 content, suitable for direct processing to secondary products has been prepared.
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  • 97
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    Chemical Engineering & Technology - CET 19 (1996), S. 113-116 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A three-step catalytic reaction (TSCR) mechanism is considered. It involves the steps of adsorption of two different reactants and the bimolecular reaction between adsorbed species. For this mechanism the rates of elementary reactions were assumed to be dependent on the surface coverages of two adspecies due to the repulsive mutual interactions between adsorbed species. The surface electronic gas model was chosen for the description of surface inhomogeneity. It is demonstrated that for such a TSCR mechanism sustained oscillations cannot exit. The application of the model to evaluation of kinetic data is discussed.
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  • 98
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    Chemical Engineering & Technology - CET 19 (1996), S. 209-214 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: A method for the prediction of velocity and path length components for two-dimensional particle motion is developed for stagnant and slowly moving gas. The numerical algorithm appears much more straightforward and more efficient than those previously developed on the basis of simplified analytical methods. In the case of particle motion in a flowing gas, several limitations of the method occur. The method of limit estimation is briefly described.
    Additional Material: 9 Ill.
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  • 99
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    Chemical Engineering & Technology - CET 19 (1996), S. 233-239 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Notes: The hybrid knowledge-based system proposed in this paper consists of a “stiff” segment, viz. the expert system based on the object-oriented approach, and a flexible part, viz. the neural network. Some of the input parameters of the problem and output parameters of the “stiff” system are presented as the fuzzy numbers. Detailed information is also presented about the development of the neural network. The most evident advantages of the proposed introduction of a hybrid architecture of the knowledge-based system are a faster evaluation and generation of design alternatives and support of systematic searches and storage of experience. In addition, the resulting ability to extrapolate results would be unattainable with separately acting stiff and flexible systems. A system for the estimation of the parameters of a mixing system for wastewater treatment is presented as an example to illustrate the principles of the hybrid system.
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  • 100
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    Chemical Engineering & Technology - CET 19 (1996) 
    ISSN: 0930-7516
    Keywords: Chemistry ; Industrial Chemistry and Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
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