International Journal of Chemical Engineering · 2022 · 10 citations · 66 references
ComputingMaterials EngineeringMaterials ScienceArtificial IntelligenceMachine LearningNanomaterialsGaussian Process ModelingGaussian ProcessesKernel MethodsNanomaterial CharacterizationNanoparticle CharacterizationProperty EstimationComputational NanotechnologyComputational Prediction ModelsGaussian Process RegressionKernel LearningMaterials Property PredictionPhysical PropertiesViscosityViscosity Prediction
This work aims to develop a robust machine learning model for the prediction of the relative viscosity of nanoparticles (NPs) including Al 2 O 3 , TiO 2 , SiO 2 , CuO, SiC, and Ag based on the most important input parameters affecting them covering the size, concentration, thickness of the interfacial layer, and intensive properties of NPs. In order to develop a comprehensive artificial intelligence model in this study, sixty‐nine data samples were collected. To this end, the Gaussian process regression approach with four basic function kernels (Matern, squared exponential, exponential, and rational quadratic) was exploited. It was found that Matern outperformed other models with R 2 = 0.987, MARE (%) = 6.048, RMSE = 0.0577, and STD = 0.0574. This precise yet simple model can be a good alternative to the complex thermodynamic, mathematical‐analytical models of the past.
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