Selection of fluxing Agent for coal ash and investigation of fusion mechanism: A first-Principles study

Energy and Fuels

Volumn 23, Issue 2, 2009, Pages 704-709

  Li, Jie ^b   Du, Mei Fang ^b   Zhang, Zhong Xiao ^a,c   Guan, Rong Qing ^b   Chen, Yu Shuang ^c   Liu, Ting Yu ^b  

^a UNIVERSITY OF SHANGHAI FOR SCIENCE AND TECHNOLOGY   (China)

^b College of Science ^*  (China)

^c Department of Power Engineering ^*

Author keywords

[No Author keywords available]

Indexed keywords

AB-INITIO; ASH MELTING; CHINESE COALS; DENSITY-FUNCTIONAL THEORIES; ELECTRON ACCEPTORS; ELECTRON DONORS; FIRST-PRINCIPLES STUDIES; FLUXING AGENTS; FUSION MECHANISMS; GENERALIZED GRADIENT APPROXIMATIONS; HIGH-MELTING; MELTING TEMPERATURES; NUMERICAL STUDIES; PHASE CHANGES; QUANTUM-CHEMICAL MODELING;

AGENTS; ALUMINUM; BINDING ENERGY; BORATE MINERALS; CALCIUM; COAL; COAL ASH; COAL INDUSTRY; CORUNDUM; DENSITY FUNCTIONAL THEORY; FELDSPAR; LIMESTONE; MELTING POINT; METAL MELTING; MULLITE; POSITIVE IONS; SILICA; SILICATE MINERALS;

MINERALS;

EID: 64549106934     PISSN: 08870624     EISSN: None     Source Type: Journal    
DOI: 10.1021/ef800784k     Document Type: Article

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