A new semi-empirical model for the oxidation of PAHs physisorbed on soot. I. Application to the reaction C6H6+OH

Molecular Simulation

Volumn 35, Issue 12-13, 2009, Pages 1130-1139

  Hantal, G ^a,b   Picaud, S ^a   Collignon, B ^a   Hoang, P N M ^a   Rayez, M T ^c   Rayez, J C ^c  

^a UNIVERSITÉ DE FRANCHE COMTÉ   (France)

^b EÖTVÖS LORÁND UNIVERSITY   (Hungary)

^c INSTITUT DES SCIENCES MOLÉCULAIRES   (France)

Author keywords

Oxidation; PAH; Semi empirical method; Soot

Indexed keywords

BENZENE MOLECULES; EXPERIMENTAL OBSERVATION; GASPHASE; GRAPHENES; INDUCTION CONTRIBUTION; OXIDATION PROCESS; OXIDATION REACTIONS; PAH; PHYSISORBED; SELF-CONSISTENT FIELD; SEMI-EMPIRICAL METHOD; SEMI-EMPIRICAL METHODS; SEMIEMPIRICAL MODELS;

ADSORPTION; BENZENE; GRAPHITE; MOLECULES; SOOT;

OXIDATION;

EID: 70349446522     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927020902874016     Document Type: Article

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