Molecular dynamic simulation of spontaneous combustion and pyrolysis of brown coal using ReaxFF

Fuel

Volumn 136, Issue , 2014, Pages 326-333

  Bhoi, Sanjukta ^a   Banerjee, Tamal ^a   Mohanty, Kaustubha ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY GUWAHATI   (India)

Author keywords

Coal; Combustion; Pyrolysis; Reactive force field

Indexed keywords

COAL; COMBUSTION; COMPUTER SIMULATION; FUELS; LIGNITE; MOLECULAR DYNAMICS; MOLECULES; PYROLYSIS; QUANTUM THEORY; REACTION INTERMEDIATES; SEDIMENTARY ROCKS; SPONTANEOUS COMBUSTION;

COMBUSTION OF COAL; HIGH TEMPERATURE; INITIATION MECHANISM; LARGE AMOUNTS; REACTIVE FORCE FIELD; REACTIVE MOLECULAR DYNAMICS; REACTIVE SYSTEM; SOURCE OF ENERGY;

COAL COMBUSTION;

EID: 84906535959     PISSN: 00162361     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.fuel.2014.07.058     Document Type: Article

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