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'Interionic potentials' in keywords Facet   section ZfN Section A  [X]
Facet   Publication Year 1988  [X]
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1Author    C. Margheritis, C. SinistriRequires cookie*
 Abstract    This paper describes a method for a simple evaluation of the polarization energy in molten salt systems, by which it is possible to go, without heavy computational cost, from the rigid to the soft ion model. The method is based on the observation that, within the movements of single ions in the Monte Carlo chain, the deviation of the polarization energy is a linear function of the deviation of the Coulomb energy. An extended numerical application has been carried out for molten Lil at 800, 1200 and 1453 (b. p.) K. The parameters that are mostly affected by the used model are put into evidence. 
  Reference    Z. Naturforsch. 43a, 129—132 (1988); received November 19 1987 
  Published    1988 
  Keywords    Interionic potential, Polarization, Monte Carlo, Simulation, Molten Lil 
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 TEI-XML for    default:Reihe_A/43/ZNA-1988-43a-0129.pdf 
 Identifier    ZNA-1988-43a-0129 
 Volume    43 
2Author    M.C S Im, La Tio, Lte, C. Margheritis, C. SinistriRequires cookie*
 Title    In te rio n ic P o te n tia ls a n  
 Abstract    Monte Carlo simulations on molten AgCl were carried out in order to test the applicability of the interionic potentials recently proposed for this salt in the solid phase. None of the literature potentials can be used as such: in all cases pairs of like ions reach too short distances of approach causing the collapse of the system. It was proved that, in order to obtain equilibration of the system, the pair potentials of like ions must be recalculated. On the basis of these modified potentials, MC simulations of molten AgCl were carried out at 728 (m.p.), 1000 and 1500 K. The polarization energy effect was also analyzed with the use of a soft ion model. 
  Reference    Z. Naturforsch. 43a, 751—754 (1988); received July 1 1988 
  Published    1988 
  Keywords    Interionic potentials, Monte Carlo simulation, molten AgCl 
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 TEI-XML for    default:Reihe_A/43/ZNA-1988-43a-0751.pdf 
 Identifier    ZNA-1988-43a-0751 
 Volume    43