Kinetic simulation of the thermal degradation of phenethyl phenyl ether, a model compound for the β-O-4 linkage in lignin

Chemical Physics Letters

Volumn 550, Issue , 2012, Pages 19-24

  Beste, Ariana ^a   Buchanan III, A C ^b  

^a Oak Ridge National Laboratory   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN ABSTRACTION; KINETIC MONTE CARLO; KINETIC SIMULATION; MODEL COMPOUND; PHENYL ETHERS; PRODUCT SELECTIVITIES; PYROLYSIS MECHANISM; RADICAL CHAIN; SCISSION REACTIONS; SHIFT REACTIONS; THERMAL EQUILIBRIUMS; TRANSITION STATE THEORIES;

DENSITY FUNCTIONAL THEORY; FREE RADICAL REACTIONS; HYDROGEN; LIGNIN; RATE CONSTANTS;

COMPUTER SIMULATION;

EID: 84867333941     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2012.08.040     Document Type: Article

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