Advanced Computational Modeling of CO2 Solubility in Ionic Liquids Using an XAI Methodology
A high-fidelity Quantitative Structure-Property Relationship (QSPR) model is developed, realized through an Artificial Neural Network (ANN) topology, to forecast the degree of CO2 solubility across 14 different IL chemical families and a wide thermodynamic range, relevant for the oil and gas industry.