DFT study of the interaction between ethanethiol and Fe-containing ionic liquids for desulfuration of natural gasoline

Fuel Processing Technology

Volumn 97, Issue , 2012, Pages 24-29

  Martínez Magadán, José Manuel ^a   Oviedo Roa, Raúl ^a   García, Paloma ^a   Martínez Palou, Rafael ^a  

^a INSTITUTO MEXICANO DEL PETRÓLEO   (Mexico)

Author keywords

Density Functional Theory; Desulfurization; Ethanethiol; Fe containing ionic liquids

Indexed keywords

ATOMIC ORBITAL; CHLORIDE ANIONS; DESULFURATION; DFT STUDY; ETHANETHIOL; EXCELLENT PERFORMANCE; FRONTIER ORBITALS; MONONUCLEAR ANIONS; MULLIKEN ATOMIC CHARGES; TRANSITION-METAL CENTERS;

CHEMISORPTION; CHLORINE COMPOUNDS; DENSITY FUNCTIONAL THEORY; DESULFURIZATION; ELECTRON AFFINITY; NATURAL GASOLINE; PHYSISORPTION; POSITIVE IONS; QUANTUM CHEMISTRY; SULFUR; SULFUR COMPOUNDS; TRANSITION METALS;

IONIC LIQUIDS;

EID: 84856432887     PISSN: 03783820     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fuproc.2012.01.007     Document Type: Article

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