Abstract
Simulations for the electrical percolation of AOT/iC8/H2O w/o microemulsions added with alkylamines have been carried out by means of multilayer perceptron. Five variables have been elected as inputs: amine concentration, molecular weight, log P, hydrocarbon chain length (as number of carbons), and pKa. As a result, a neural model consisting in five input neurons, two middle layers (with fifteen and ten neurons respectively) and one output neuron was chosen because of its better performance, with a RMSE of 0.54 °C for the prediction set, with R2 = 0.9976.
Kurzfassung
Es wurde die elektrische Perkolation von AOT/iC8/H2O w/o-Mikroemulsionen mit Alkyaminen, mittels eines Mehrlagenperzeptrons simuliert. Fünf Größen wurden als Inputvariablen ausgewählt: Aminkonzentration, Molekulargewicht, log P, Länge der Kohlenwasserstoffkette (= Anzahl der Kohlenstoffatome) und pKa. Die Simulation lieferte ein neuronales Netz mit einer besseren Leistung, das aus fünf Eingangsneuronen, zwei Mittellagen mit fünfzehn bzw. zehn Neuronen und einem Ausgangsneuron besteht. Die RMSE des Vorhersage-Sets beträgt 0,54 °C und R2 = 0,9976.
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