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《TECHNIGUES AND EQUIPMENT FOR ENVIRO.POLL.CONT》 1999-06
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THE APPLICATION OF GRAPH THEORY IN ATMOSPHERIC CHEMICAL MODEL AND SENSITIVITY AN ALYSIS

Shen Ji Zhao Qianxue Tong Yuqin (Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085)  
If Gear type method is employed to atmospheric chemical model, chemical kinetic model and sensitivity analysis, the prediction matrix is an unsymmetric matrix. The matrix is related to a directed graph (a kind of reactive graph) in graph theory. Vertices represent reactants or products, and edges for reactions. Partition of the directed graph to its strong components in graph theory can be used for LU decomposition of a series small dimension matrices instead of LU decomposition of the prediction matrix itself directly. The Carbon Bond Mechenism of atmospheric chemical model and the ethane pyrolysis mechanism are used as examples for illustration. Many directed graphes and related matrices before and after partition related to model equation and sensitivity analysis are given. The agreements of results of sensitivity analysis with indirect method and other methods are excellent. The computational efficiency is assessed.
【Fund】: 国家自然科学基金!资助项目,批准号:29777028
【CateGory Index】: X11
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