Prediction and optimisation of gasoline quality in petroleum refining: The use of machine learning model as a surrogate in optimisation framework

Abstract Hardware‐based sensing frameworks such as cooperative fuel research engines are conventionally used to monitor research octane number (RON) in the petroleum refining industry. Machine learning techniques are employed to predict the RON of integrated naphtha reforming and isomerisation processes. A dynamic Aspen HYSYS model was used to generate data by introducing artificial uncertainties in the range of ±5% in process conditions, such as temperature, flow rates, etc. The generated data was used to train support vector machines (SVM), Gaussian process regression (GPR), artificial neural networks (ANN), regression trees (RT), and ensemble trees (ET). Hyperparameter tuning was performed to enhance the prediction capabilities of GPR, ANN, SVM, ET and RT models. Performance analysis of the models indicates that GPR, ANN, and SVM with R2 values of 0.99, 0.978, and 0.979 and RMSE values of 0.108, 0.262, and 0.258, respectively performed better than the remaining models and had the prediction capability to capture the RON dependence on predictor variables. ET and RT had an R2 value of 0.94 and 0.89, respectively. The GPR model was used as a surrogate model for fitness function evaluations in two optimisation frameworks based on genetic algorithm and particle swarm method. Optimal parameter values found by the optimisation methodology increased the RON value by 3.52%. The proposed methodology of surrogate‐based optimisation will provide a platform for plant‐level implementation to realise the concept of industry 4.0 in the refinery.