Application of artificial intelligence for the determination of reaction mechanisms |
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Authors: | E Koch |
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Institution: | (1) Max-Planck-Institut für Strahlenchemie, D-4330 Mülheim A. D. Ruhr |
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Abstract: | TA curves can be interpreted kinetically by pattern recognition. Readily available symbol strings are compared with those of theoretical curves, stored in a data bank. Such kinetic codes fix the dependences of the mechanistic coordinates on the initial concentration ofone of the reactants; obviously, they are scarcely influenced by the prevailing values of the activation parameters.The foundations for a model-determinating computer program and the experiences with its application are presented. The program reveals the possible homogeneous two-reaction models from an experimental DTA- or non-isothermal UV-series; these are listed in the order of their evidence values. Similarly, the best superpositions of two two-reaction models are determined.
Zusammenfassung Ein kinetisches Auswerteverfahren wird beschrieben, das für jedes homogene System, welches einer thermoanalytischen Messung bei konstanter Heizrate unterworfen werden kann, eine Liste der wahrscheinlichsten Ein- bis Vierstufenmodelle ausgibt, Aus der Konzentrationsabhängigkeit der mechanistischen Koordinaten (korrigierter Formfaktor und Reaktionstypindex) werden charakteristische Zeichenketten erhalten und in einem Mustererkennungsverfahren mit den analog berechneten Zeichenketten aus den Konzentrationssätzen aller denkbaren Modelle verglichen.
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![acy](/content/n215518xj752226l/xxlarge1072.gif) ![ncy](/content/n215518xj752226l/xxlarge1085.gif) ![ncy](/content/n215518xj752226l/xxlarge1085.gif) ![ycy](/content/n215518xj752226l/xxlarge1099.gif) ![Dcy](/content/n215518xj752226l/xxlarge1044.gif) ![Tcy](/content/n215518xj752226l/xxlarge1058.gif) ![icy](/content/n215518xj752226l/xxlarge1080.gif) ![lcy](/content/n215518xj752226l/xxlarge1083.gif) ![ncy](/content/n215518xj752226l/xxlarge1085.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![icy](/content/n215518xj752226l/xxlarge1080.gif) ![zcy](/content/n215518xj752226l/xxlarge1079.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![tcy](/content/n215518xj752226l/xxlarge1090.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![rcy](/content/n215518xj752226l/xxlarge1088.gif) ![mcy](/content/n215518xj752226l/xxlarge1084.gif) ![icy](/content/n215518xj752226l/xxlarge1080.gif) ![chcy](/content/n215518xj752226l/xxlarge1095.gif) ![scy](/content/n215518xj752226l/xxlarge1089.gif) ![kcy](/content/n215518xj752226l/xxlarge1082.gif) ![icy](/content/n215518xj752226l/xxlarge1080.gif) ![Ucy](/content/n215518xj752226l/xxlarge1059.gif) -![scy](/content/n215518xj752226l/xxlarge1089.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![rcy](/content/n215518xj752226l/xxlarge1088.gif) ![icy](/content/n215518xj752226l/xxlarge1080.gif) , ![pcy](/content/n215518xj752226l/xxlarge1087.gif) ![rcy](/content/n215518xj752226l/xxlarge1088.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![gcy](/content/n215518xj752226l/xxlarge1075.gif) ![rcy](/content/n215518xj752226l/xxlarge1088.gif) ![acy](/content/n215518xj752226l/xxlarge1072.gif) ![mcy](/content/n215518xj752226l/xxlarge1084.gif) ![pcy](/content/n215518xj752226l/xxlarge1087.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![kcy](/content/n215518xj752226l/xxlarge1082.gif) ![acy](/content/n215518xj752226l/xxlarge1072.gif) ![zcy](/content/n215518xj752226l/xxlarge1079.gif) ![ycy](/content/n215518xj752226l/xxlarge1099.gif) ![vcy](/content/n215518xj752226l/xxlarge1074.gif) ![acy](/content/n215518xj752226l/xxlarge1072.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![vcy](/content/n215518xj752226l/xxlarge1074.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) $ ![mcy](/content/n215518xj752226l/xxlarge1084.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![zhcy](/content/n215518xj752226l/xxlarge1078.gif) ![ncy](/content/n215518xj752226l/xxlarge1085.gif) ![ycy](/content/n215518xj752226l/xxlarge1099.gif) ![gcy](/content/n215518xj752226l/xxlarge1075.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![mcy](/content/n215518xj752226l/xxlarge1084.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![gcy](/content/n215518xj752226l/xxlarge1075.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![ncy](/content/n215518xj752226l/xxlarge1085.gif) ![ncy](/content/n215518xj752226l/xxlarge1085.gif) ![ycy](/content/n215518xj752226l/xxlarge1099.gif) ![dcy](/content/n215518xj752226l/xxlarge1076.gif) ![ucy](/content/n215518xj752226l/xxlarge1091.gif) ![khcy](/content/n215518xj752226l/xxlarge1093.gif) ![rcy](/content/n215518xj752226l/xxlarge1088.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![acy](/content/n215518xj752226l/xxlarge1072.gif) ![kcy](/content/n215518xj752226l/xxlarge1082.gif) ![tscy](/content/n215518xj752226l/xxlarge1094.gif) ![icy](/content/n215518xj752226l/xxlarge1080.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![ncy](/content/n215518xj752226l/xxlarge1085.gif) ![ncy](/content/n215518xj752226l/xxlarge1085.gif) ![ycy](/content/n215518xj752226l/xxlarge1099.gif) ![mcy](/content/n215518xj752226l/xxlarge1084.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![dcy](/content/n215518xj752226l/xxlarge1076.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) , ![pcy](/content/n215518xj752226l/xxlarge1087.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![rcy](/content/n215518xj752226l/xxlarge1088.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![chcy](/content/n215518xj752226l/xxlarge1095.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![ncy](/content/n215518xj752226l/xxlarge1085.gif) ![kcy](/content/n215518xj752226l/xxlarge1082.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![tcy](/content/n215518xj752226l/xxlarge1090.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![rcy](/content/n215518xj752226l/xxlarge1088.gif) ![ycy](/content/n215518xj752226l/xxlarge1099.gif) ![pcy](/content/n215518xj752226l/xxlarge1087.gif) ![rcy](/content/n215518xj752226l/xxlarge1088.gif) ![icy](/content/n215518xj752226l/xxlarge1080.gif) ![vcy](/content/n215518xj752226l/xxlarge1074.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![dcy](/content/n215518xj752226l/xxlarge1076.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![pcy](/content/n215518xj752226l/xxlarge1087.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![rcy](/content/n215518xj752226l/xxlarge1088.gif) ![yacy](/content/n215518xj752226l/xxlarge1103.gif) ![dcy](/content/n215518xj752226l/xxlarge1076.gif) ![kcy](/content/n215518xj752226l/xxlarge1082.gif) ![icy](/content/n215518xj752226l/xxlarge1080.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![chcy](/content/n215518xj752226l/xxlarge1095.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![vcy](/content/n215518xj752226l/xxlarge1074.gif) ![icy](/content/n215518xj752226l/xxlarge1080.gif) ![dcy](/content/n215518xj752226l/xxlarge1076.gif) ![ncy](/content/n215518xj752226l/xxlarge1085.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![scy](/content/n215518xj752226l/xxlarge1089.gif) ![tcy](/content/n215518xj752226l/xxlarge1090.gif) . ![Pcy](/content/n215518xj752226l/xxlarge1055.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![dcy](/content/n215518xj752226l/xxlarge1076.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![bcy](/content/n215518xj752226l/xxlarge1073.gif) ![ncy](/content/n215518xj752226l/xxlarge1085.gif) ![bcy](/content/n215518xj752226l/xxlarge1073.gif) ![ycy](/content/n215518xj752226l/xxlarge1099.gif) ![lcy](/content/n215518xj752226l/xxlarge1083.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![pcy](/content/n215518xj752226l/xxlarge1087.gif) ![rcy](/content/n215518xj752226l/xxlarge1088.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![dcy](/content/n215518xj752226l/xxlarge1076.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![lcy](/content/n215518xj752226l/xxlarge1083.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![ncy](/content/n215518xj752226l/xxlarge1085.gif) ![ncy](/content/n215518xj752226l/xxlarge1085.gif) ![acy](/content/n215518xj752226l/xxlarge1072.gif) ![icy](/content/n215518xj752226l/xxlarge1080.gif) ![lcy](/content/n215518xj752226l/xxlarge1083.gif) ![ucy](/content/n215518xj752226l/xxlarge1091.gif) ![chcy](/content/n215518xj752226l/xxlarge1095.gif) ![shcy](/content/n215518xj752226l/xxlarge1096.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![scy](/content/n215518xj752226l/xxlarge1089.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![vcy](/content/n215518xj752226l/xxlarge1074.gif) ![pcy](/content/n215518xj752226l/xxlarge1087.gif) ![acy](/content/n215518xj752226l/xxlarge1072.gif) ![dcy](/content/n215518xj752226l/xxlarge1076.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![ncy](/content/n215518xj752226l/xxlarge1085.gif) ![dcy](/content/n215518xj752226l/xxlarge1076.gif) ![vcy](/content/n215518xj752226l/xxlarge1074.gif) ![ucy](/content/n215518xj752226l/xxlarge1091.gif) ![tcy](/content/n215518xj752226l/xxlarge1090.gif) ![icy](/content/n215518xj752226l/xxlarge1080.gif) ![pcy](/content/n215518xj752226l/xxlarge1087.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![dcy](/content/n215518xj752226l/xxlarge1076.gif) ![vcy](/content/n215518xj752226l/xxlarge1074.gif) ![ucy](/content/n215518xj752226l/xxlarge1091.gif) ![rcy](/content/n215518xj752226l/xxlarge1088.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![acy](/content/n215518xj752226l/xxlarge1072.gif) ![tscy](/content/n215518xj752226l/xxlarge1094.gif) ![icy](/content/n215518xj752226l/xxlarge1080.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![ncy](/content/n215518xj752226l/xxlarge1085.gif) ![ncy](/content/n215518xj752226l/xxlarge1085.gif) ![ycy](/content/n215518xj752226l/xxlarge1099.gif) ![mcy](/content/n215518xj752226l/xxlarge1084.gif) ![ocy](/content/n215518xj752226l/xxlarge1086.gif) ![dcy](/content/n215518xj752226l/xxlarge1076.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) ![lcy](/content/n215518xj752226l/xxlarge1083.gif) ![iecy](/content/n215518xj752226l/xxlarge1077.gif) .
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