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  • 1975-1979  (3)
  • 1950-1954
  • Chemical Engineering  (2)
  • Computational Chemistry and Molecular Modeling  (1)
  • 1
    Digitale Medien
    Digitale Medien
    Hartree-like methods in electronic structure theory (1978)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 13 (1978), S. 189-198 
    Details
    ISSN: 0020-7608
    Schlagwort(e): Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: We consider the “Hartree Problem,” here defined as the problem of finding the orthogonal one-electron states which in a single determinant minimize the electronic energy, excluding exchange contributions. These states may provide a useful basis for correlation-energy studies. It is shown how the “Hartree Problem,” although superficially not of pseudoeigenvalue form, can nevertheless be cast in such a form and solved by an iterative diagonalization process.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/qua.560130204
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  • 2
    Digitale Medien
    Digitale Medien
    Compatible glassy polyblends based upon poly(2,6-dimethyl-1,4-phenylene oxide): Tensile modulus studies (1979)
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 19 (1979), S. 519-524 
    Details
    ISSN: 0032-3888
    Schlagwort(e): Chemistry ; Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Maschinenbau , Physik
    Notizen: The mechanical behavior of compatible glassy polyblends based upon poly(2.6-dimethyl- 1,4-phe nylene oxide) (PPO) was investigated. In particular, the influence of composition, molecular weight, and molecular weight distribution upon the tensile modulus of the blend was assessed. Various possible correlations between the experimentally determined moduli and theory are considered. Included are correlations with density, packing density, composite theory, and lattice fluid theory. The modeling of the properties of mixtures via Simplex lattice design is also presented. Finally, attention is given to the development of compatibility criteria based upon tensile modulus and density measurements.
    Zusätzliches Material: 9 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/pen.760190710
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  • 3
    Digitale Medien
    Digitale Medien
    Curing and heat transfer in polyurethane reaction moldingPresented in part at the AiChE Annual Meeting, Chicago, 1976. (1978)
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 18 (1978), S. 382-387 
    Details
    ISSN: 0032-3888
    Schlagwort(e): Chemistry ; Chemical Engineering
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Maschinenbau , Physik
    Notizen: Temperature measurements were made on the adiabatic polymerization of three urethane systems; two casting formulations, one thermoplastic and the other thermosetting, and a commercial reaction injection molding (RIM) formulation with a 10 second gel time. The data were found to fit a simple nth order overall kinetic expression. These kinetic and heat of reaction results were used to model heat transfer in a 3.8 cm diameter cylinder with an isothermal wall. Experimental temperature profiles for the two casting urethanes were in good agreement with predictions. The kinetic data on the RIM material was used to model temperature profiles1 in 3 and 6 mm thick plaque molds. Experimental measurements of temperature near the mold center agreed with the model. Temperatures measured near the wall were higher due to failure of the isothermal wall assumption.
    Zusätzliches Material: 9 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/pen.760180509
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