Prediction of Refrigerant Ignition and Detonation Characteristics Based on Machine Learning Model
In this paper,common flammable working medium is taken as the object.Based on M06-2X/6-311+G(d,p)optimization calculation of Gaussian 16 W,molecular descriptor data of working medium molecular structure under microscopic model are obtained.At the same time,three different machine learning methods,namely Multiple Linear Regression(MLR),Random Forest(RF)and Artificial Neural Network(ANN),were used to correlate the micro data with the macro experimental data,so as to predict the minimum ignition energy of these working media.The overall R2 reached 0.853,0.782 and 0.906,respectively.The results show that the prediction has good accuracy and robustness.The prediction results can provide theoretical basis for the practicability and safety of the new working medium.
ignition and detonation characteristicsmachine learningminimum ignition energycombustible working medium
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