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  • 78.70B  (1)
  • CO hydrogenation  (1)
  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Applied physics 26 (1981), S. 93-100 
    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
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  • 2
    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
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