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  • 29.70  (2)
  • 78.70B  (1)
  • CO hydrogenation  (1)
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  • 1
    Electronic Resource
    Electronic Resource
    Monte Carlo simulations combined with UHV-atmospheric pressure reaction studies on CO hydrogenation on cobalt (1995)
    Springer
    Topics in catalysis 2 (1995), S. 173-181 
    Details
    ISSN: 1572-9028
    Keywords: CO hydrogenation ; Monte Carlo simulations ; reaction modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract We show that useful information on catalytic reactions can be obtained using Monte Carlo simulations combined with experimental data from model catalysts. The experimental rate dependencies of CO hydrogenation on the partial pressures were used to guide the selection of different parameter values used in the simulations. The results give the following picture of the reaction conditions on the surface: hydrogen and carbon monoxide occupy different adsorption sites, the diffusion of hydrogen and the growth of hydrocarbon chains are fast processes, and the rate-limiting elementary reaction step is the termination of the hydrocarbon chains (α-hydrogenation). The formation of longer chain hydrocarbons falls onto the line defined by the Anderson-Flory-Schulz distribution but the value of the chain growth parameter α, obtained in the simulations, is higher than the experimental value.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01491965
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Monte-Carlo calculations of keV electron and positron slowing down in solids (1983)
    Springer
    Applied physics 32 (1983), S. 95-106 
    Details
    ISSN: 1432-0630
    Keywords: 61.80 ; 78.70 ; 29.70
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract A Monte-Carlo simulation technique based on the screened Rutherford differential cross section for the elastic scattering and Gryzinski's semiempirical expression for the inelastic core and valence electron excitation is used to describe electrons and positrons slowing down in solids. The theoretical results are compared with the experimental backscattering, absorption and transmission results for aluminum, silicon, copper, and gold thin film and semi-infinite targets and good agreement is observed. The simulated stopping profiles are fitted with a simple analytic expression. The profiles are Laplace-transformed to give a useful data base for analyzing phenomena associated with slow positron re-emission from solids.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00617834
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    Paper (German National Licenses)
    Fulltext
  • 3
    Electronic Resource
    Electronic Resource
    Monte Carlo calculations of keV electron and positron slowing down in solids. II (1984)
    Springer
    Applied physics 35 (1984), S. 51-59 
    Details
    ISSN: 1432-0630
    Keywords: 61.80 ; 78.70 ; 29.70
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract An improved Monte-Carlo simulation technique has been used to investigate positron and electron slowing down in solid matter. Elastic scattering is based on exact cross sections of effective crystalline potentials and inelastic processes are described by Gryzinski's semiempirical expression for each core and valence electron excitation. Calculations with normal and oblique angles of incidence have been made for positrons and electrons impinging on semi-infinite aluminium, copper, tungsten, and gold. Interesting differences have been found between positron and electron penetration and backscattering features.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00620300
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    Paper (German National Licenses)
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  • 4
    Electronic Resource
    Electronic Resource
    Positron detrapping from defects: A thermodynamic approach (1981)
    Springer
    Applied physics 26 (1981), S. 93-100 
    Details
    ISSN: 1432-0630
    Keywords: 71.60+Z ; 78.70B
    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 rate of positron detrapping in thermal equilibrium from lattice defects has been calculated by relating it to the specific trapping rate. The results for vacancies, dislocations and surfaces each show a different temperature dependence for the escape rate. For vacancies a measure of the importance of the detrapping can be obtained from the ratio of the vacancy formation energy to the positron binding energy in the defect. The positronium desorption rate from a surface is also calculated and agreement with experimental results is found.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00616655
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    Paper (German National Licenses)
    Fulltext
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