Modelling of bitumen fragment adsorption on Cu+ and Ag+ exchanged zeolite nanoparticles

Molecular Simulation

Volumn 34, Issue 10-15, 2008, Pages 943-951

  Stoyanov, Stanislav R ^a,b   Gusarov, Sergey ^a   Kovalenko, Andriy ^a,b  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^b UNIVERSITY OF ALBERTA   (Canada)

Author keywords

Bitumen; Desulfurisation; Ion exchange; Periodic DFT; Zeolite nanoparticle

Indexed keywords

ADSORPTION; AROMATIC HYDROCARBONS; BENZENE; BITUMINOUS MATERIALS; COPPER; DENSITY FUNCTIONAL THEORY; GAS OILS; HYDROCARBONS; ION EXCHANGE; NANOPARTICLES; NANOSTRUCTURED MATERIALS; NANOSTRUCTURES; ORGANIC COMPOUNDS; ORGANIC POLYMERS; SILVER; SULFUR COMPOUNDS; SUPRAMOLECULAR CHEMISTRY; THIOPHENE; ZEOLITES;

ADSORPTION STRENGTHS; BENZOTHIOPHENE; BITUMEN; BITUMEN UPGRADING; DESULFURISATION; DIBENZOTHIOPHENE; FUKUI FUNCTIONS; IMPURITIES REMOVALS; IONIC RADIUSES; NANOPARTICLE SURFACES; ORGANIC MACROMOLECULES; OUTER SURFACES; PERIODIC DENSITY FUNCTIONAL THEORIES; PERIODIC DFT; RATIONAL DESIGNS; SPATIAL CONSTRAINTS; SURFACE TERMINATIONS; THIOPHENE DERIVATIVES; ZEOLITE CHABAZITES; ZEOLITE PORES; ZEOLITE SURFACES;

SURFACES;

EID: 56749107177     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020802101742     Document Type: Article

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