Browsing by Author "Ziółkowska, Magda"

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    Adsorption mechanisms in a view of DFT and clustering-based models
    (Видавництво Львівської політехніки, 2013) Ziółkowska, Magda; Duda, Jan T.; Milewska-Duda, Janina
    The paper describes two approaches to mathematical description of adsorption mechanisms aimed at identification of materials porous structure, i.e. the Density Functional Theory (DFT) and the clustering based theory of adsorption (uniBET). Essential assumptions of the both theories, concerning the pore structure description, are compared and application areas are outlined for them.
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    Energy aspects of arene domain presence in the coal structure under the sorption process
    (Lviv Polytechnic Publishing House, 2015) Ziółkowska, Magda; Jodłowski, Grzegorz S.; AGH University of Science and Technology
    This work presenst two way dissertation on energy aspects of arene domain presence in the coal substance and its interactions with sorbate molecules under the sorption process. Newly elaborated approach aimed at adsorption mechanism identification is discussed and the estimation procedure of energy profile of possible molecule location in the pores of graphite-like substance is presented. Wider view on the sorption process is included in the Multiple Sorption Model with regard to the absorption-adsorption character of the phenomena taking place under the location of sorbate molecules in the sorption system. Both approaches give us information on effect of arene domains and overall view on sorption process and coal structure.