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  • Prediction of the solubility of a substance in supercritical fluids based on machine learning

    The present study aims to explore the methodologies employed in practice to ascertain the parameters of processes occurring in supercritical fluid media. A primary focus of this investigation lies in the solubility of key components of the system in supercritical fluid solvents, with a view to understanding the limitations of mathematical models in qualitatively predicting solubility outside the investigated ranges of values. This analysis seeks to elucidate the potential challenges and opportunities in conducting experimental studies in this domain. However, within the domain of supercritical fluid technologies, the optimization of processes and the prediction of their properties is attainable through the utilization of models and machine learning methodologies, leveraging both accumulated experimental and calculated data. The present study is dedicated to the examination of this approach, encompassing the consideration of system input parameters, solvent properties, solute properties, and the designated output parameter, solubility. The findings of the present study demonstrate the efficacy of this approach in predicting the solubility process through machine learning.

    Keywords: supercritical fluids, solubility of substances, solubility factors, solubility prediction, machine learning, residue analysis, feature importance analysis

  • Abstracts

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