Machine Learning Applied to Predict Key Petroleum Crude Oil Constituents

Abstract

Sulfur compounds are the most important inorganic constituents of petroleum and require to be estimated beforehand because of their corrosive nature and other processing anomalies during crude oil processing. Paraffins, naphthene, and aromatics form the bulk of crude oil. Machine learning (ML) predictions of these constituents were made by training the ML model with a diverse industrial data set of 515 oils. The XGBoost model gave an excellent R2 in the range 0.88–0.99 for the bulk compounds. R2 for sulfur was in the modest range of 0.45–0.6, which improved significantly to 0.8 for additional inputs. ML applicability was thereby found to depend on the nature of the constituent. This work furthers ML‐based predictions, with the incentive of reducing expensive spectroscopic analytical methods.