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  • Articles  (3)
  • Chemical Engineering  (2)
  • Structure refinement  (1)
  • 1990-1994  (2)
  • 1985-1989  (1)
  • 1960-1964
  • 1955-1959
  • Physics  (3)
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    European biophysics journal 21 (1992), S. 313-320 
    ISSN: 1432-1017
    Keywords: Monte Carlo ; Crystal water ; Structure refinement
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Physics
    Notes: Abstract The space in the unit cell of a metmyoglobin crystal not occupied by myoglobin atoms was filled with water using Monte Carlo calculations. Independent calculations with different amounts of water have been performed. Structure factors were calculated using the water coordinates thus obtained and the known coordinates of the myoglobin atoms. A comparison with experimental structure factors showed that both the low and the high resolution regime could be well reproduced with 814 Monte Carlo water molecules per unit cell with a B-value of 50 Å2. The Monte Carlo water molecules yield a smaller standard R-value (0.166) than using a homogeneous electron density for the simulation of the crystal water (R = 0.212). A reciprocal space refinement of the water and the protein coordinates has been performed. Monte Carlo calculations can be used to obtain information for crystallographically invisible parts of the unit cell and yield better coordinates for the visible part in the refinement.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 34 (1994), S. 532-540 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: A model for the phase distribution and evolution of the heterogeneous (suspension) polymerization of vinyl chloride is presented. Experimental information on pressure, temperature, and conversion has been obtained from a 34 liter bench reactor reproducing reaction conditions and product properties typical of industrial operation. A calculation procedure based on simple plant data is proposed for the description of the phase compositions and their evolution over the entire process. Results based on classical Flory-Huggins theory of solutions are presented and compared with existing data.
    Additional Material: 14 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 25 (1985), S. 541-547 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: The big success of the reaction injection molding (RIM) process has brought about a marked interest in reacting polymer processing. In the present work, we study the technical feasibility of a continuous process to coat metallic conductors using reacting polymers. In the envisioned system, RIM type reactants are mixed and then injected into a tubular reactor through the center of which we pass the cable to be coated. The predictions of the mathematical model developed show that a feasible process can be designed by adequate control of the heat transfer phenomena. The process needs in general, a low reactor temperature and a high cable temperature.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
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