Role of Ionic Liquid in Asphaltene Dissolution: A Combined Experimental and Molecular Dynamics Study

The role of ionic liquid in asphaltene dissolution is studied using experimental characterization techniques, such as optical microscopic imaging analysis, 13C nuclear magnetic resonance (NMR), and Fourier transform infrared (FTIR) spectroscopy, along with molecular insights achieved classical dynamics (MD) simulations. behavior the asphaltenes 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]) organic solvents, i.e., toluene hexane, investigated images. aggregates solvent plus mixture probed FTIR NMR spectroscopic techniques. structural dynamical properties mainly end-to-end distance, diffusion coefficient molecules, trajectory density contour are MD It concluded from our combined experimental–MD study that plays a key separation solvents under study.