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燃料化学学报 2009
Quantum chemistry calculation and experimental study on coal ash fusion characteristics of blend coal
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Abstract:
The coal ash fusion characteristics of high fusibility coal blending with two low fusibility coals respectively were studied.The data were analyzed using quantum chemistry methods and experiment from micro-and macro-molecular structures.The results show that Ca2+,as the electron acceptor,easily enters into the lattice of mullite,causing a transition from mullite to anorthite.Mullite is much more stable than anorthite.Ca2+ of anorthite occupies the larger cavities with the SiO4]4-tetrahedral or AlO4]5-tetr...