A possible construction of chemical reaction networks |
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Authors: | István Nemes Tamás Vidóczy Dezsö Gál |
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Affiliation: | (1) Central Research Institute for Chemistry of the Hungarian Academy of Sciences, Pustaszeri út 59-67, H-1025 Budapest, Hungary |
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Abstract: | The chemical reaction networks and the sequence networks represent the pathways of a complex chemical process. In order to study the pathways separately the systematization of the elementary processes included in the possible mechanism is inevitable.This systematization was realized by a special procedure based on linear algebraic methods and enabled us to select the corresponding processes from the possible mechanism. The efficiency of the procedure has been illustrated by its application to the liquid phase oxidation of ethylbenzene and the elementary processes have been selected using a computer program. |
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Keywords: | Chemical reaction network Ethylbenzene oxidation Classification of elementary processes |
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