Pyrolysis of liulin coal simulated by GPU-based ReaxFF MD with cheminformatics analysis

Energy and Fuels

Volumn 28, Issue 1, 2014, Pages 522-534

  Zheng, Mo ^a,b   Li, Xiaoxia ^a   Liu, Jian ^a,b   Wang, Ze ^a   Gong, Xiaomin ^a,b   Guo, Li ^a   Song, Wenli ^a  

^a INSTITUTE OF PROCESS ENGINEERING   (China)

^b UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL REACTION NETWORKS; COAL MOLECULAR MODELING; HIGH-PERFORMANCE COMPUTING; PRODUCT DISTRIBUTIONS; PYROLYSIS SIMULATIONS; REACTIVE MOLECULAR DYNAMICS; THERMAL DECOMPOSITION REACTION; VISUALIZATION AND ANALYSIS;

BITUMINOUS COAL; COMPLEX NETWORKS; CRACKING (CHEMICAL); EXPERIMENTS; INFORMATION SCIENCE; MOLECULAR DYNAMICS; NAPHTHALENE; REACTION KINETICS;

COMPUTER SIMULATION;

EID: 84892726544     PISSN: 08870624     EISSN: 15205029     Source Type: Journal    
DOI: 10.1021/ef402140n     Document Type: Conference Paper

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