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Role of the Range of Intermolecular Interactions in Fluids

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    0104960 - UCHP-M 20040214 RIV GB eng J - Journal Article
    Nezbeda, Ivo
    Role of the Range of Intermolecular Interactions in Fluids.
    [Vliv dosahu mezimolekulárních interakcí na vlastnosti tekutin.]
    Current Opinion in Colloid & Interface Science. Roč. 9, 1-2 (2004), s. 107-111. ISSN 1359-0294. E-ISSN 1879-0399
    R&D Projects: GA ČR GA203/02/0764
    Institutional research plan: CEZ:AV0Z4072921
    Keywords : intermolecular * interactions * fluid
    Subject RIV: CF - Physical ; Theoretical Chemistry
    Impact factor: 5.271, year: 2004

    Using available realistic effective pair potentials and their variants involving forces of different range, the role of the range of interactions on the structure of pure polar and associating fluids has been investigated. Systematic computer simulations performed lead to the unambiguous conclusion that the structural properties of both types of fluids are governed by the same molecular mechanism as normal fluids, i.e. by the short-range interactions, whereas the long-range part of electrostatic forces, regardless of their strength, plays only a marginal role and may be treated as a perturbation only. Consequences of this finding and their limits are then shortly discussed.

    Vliv dosahu mezimolekulárních sil na strukturu polárních a asociujících tekutin je zkoumán pomocí realistických potenciálu ruzného dosahu. Systematické počítačové simulace jednoznačně ukázaly, že strukturní vlastnosti obou typu tekutin jsou určeny krátkodosahovými interakcemi a že dlouhodosahové elektrostatické interakce mohou být uvažovány pouze jako porucha.
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