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Deep eutectic solvents interaction with asphaltenes

A combined experimental and molecular dynamics study

Journal Article (2023)
Author(s)

Akshatha Hebbar (Manipal Academy of Higher Education (MAHE))

Devangshi Debraj (Manipal Academy of Higher Education (MAHE))

Sriprasad Acharya (Manipal Academy of Higher Education (MAHE))

Sampath Kumar Puttapati (National Institute of Technology Warangal)

Anoop Kishore Vatti (Manipal Academy of Higher Education (MAHE))

P. Dey (TU Delft - Team Poulumi Dey)

Research Group
Team Poulumi Dey
Copyright
© 2023 Akshatha Hebbar, Devangshi Debraj, Sriprasad Acharya, Sampath Kumar Puttapati, Anoop Kishore Vatti, P. Dey
DOI related publication
https://doi.org/10.1016/j.molliq.2023.122627
More Info
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Publication Year
2023
Language
English
Copyright
© 2023 Akshatha Hebbar, Devangshi Debraj, Sriprasad Acharya, Sampath Kumar Puttapati, Anoop Kishore Vatti, P. Dey
Research Group
Team Poulumi Dey
Volume number
387
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Abstract

Deep eutectic solvents (DESs) are industrially promising solvents and posses numerous applications in wide areas such as metal processing, synthesis media, synthesis of nanoparticles, gas sequestration and many more. In this work, we synthesized and investigated the performance of three deep eutectic solvents (DESs) i.e., reline, glyceline and ethaline in the separation of pure asphaltene from organic solvents, i.e., toluene and n-heptane using experimental techniques and classical molecular dynamics (MD) simulations. The DESs are prepared and characterized by Fourier transform infrared (FTIR) spectroscopy and density meter analysis. The separation and aggregation of asphaltene from the organic solvent phase into the DES phase at various DES concentrations are visually observed using optical microscopy. MD simulations are used to probe the end-to-end distance and diffusion coefficient of the asphaltene molecules in DESs-organic solvent mixtures. Further, the trajectory density contours of asphaltene in three DESs-toluene/n-heptane systems are calculated to analyze asphaltene aggregation in the presence of the DESs. Our experimental-simulations synergistic study shows the superior performance of glyceline DES in toluene and reline DES in n-heptane for efficient separation of the asphaltene.