Predictive models based on artificial neural networks have been developed for the percolation threshold of AOT based microemulsions with addition of either glymes or polyethylene glycols. Models have been built according to the multilayer perceptron architecture, with five input variables (concentration, molecular mass, log P, number of C and O of the additive). Best model for glymes has a topology of five input neurons, five neurons in a single hidden layer and one output neuron. Polyethylene glycol model's architecture consists in five input neurons, three hidden layers with eight neurons in both first two and five in the last, and a neuron in the last output layer. All of them have a good predictive power according to several quality parameters.
In order to predict percolation temperature of AOT-Based microemulsions (AOT/iC8/H2O w/o microemulsions) in the presence of small organic molecules (ureas and thioureas), different Artificial Neural Network architectures (ANN) have been carried out using a Perceptron Multilayer Artificial Neural Network with three entrance variables (W = value of the microemulsion, additive concentration, logP value). Best ANN architecture consists in three input neurons, one middle layer (with two neurons) and one output neuron. Correlation values were R = 0.9251 for the training set and R = 0.9719 for the prediction set.
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.
In this article, an artificial neural network to predict the flash point of 95 esters was implemented. Four variables were used for its development. A neural network with 4-5-8-5-1 topology was encountered to gain the best agreement of the experimental results with those predicted (square correlation coefficient (R(2)) and root mean square error were 0.99 and 5.46 K for the training phase and 0.96 and 13.02 K for the testing set).
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