Deep Eutectic Solvents in Liquid-Liquid Extraction: Correlation and Molecular Dynamics Simulation

Deep Eutectic Solvents (DES) are used to extract aromatics and polyaromatics from fuel oil through Liquid-Liquid extraction, studying eutectic behavior and molecular dynamics. Industrial applicability is explored.

Format: Hardback
Length: 190 pages
Publication date: 07 November 2022
Publisher: Taylor & Francis Ltd

Here is the rephrased text:

Exploring the Application of Deep Eutectic Solvents (DES) in Extracting Aromatics and Polyaromatics from Fuel Oil:

Deep Eutectic Solvents (DES) have gained significant attention in recent years for their potential in extracting aromatics and polyaromatics from fuel oil. These solvents, which possess unique properties, offer a promising alternative to conventional extraction methods. In this comprehensive study, we delve into the eutectic behavior of DES with respect to hydrocarbon and aqueous solutions. We explore the molecular dynamics insights gained through extraction by DES, shedding light on the mechanisms involved. Furthermore, we examine the potential industrial applicability of DES, considering its efficiency, cost-effectiveness, and environmental sustainability.

To facilitate our exploration, we employ a range of computational software packages, including Gaussian, NAMD, and PACKMOL. These tools enable us to simulate and analyze the behavior of DES and their interactions with hydrocarbons and aqueous solutions. Through these simulations, we gain valuable insights into the extraction process, including the distribution of extracted compounds, the influence of operating conditions, and the potential for achieving high selectivity.

Our findings indicate that DES can effectively extract aromatics and polyaromatics from fuel oil. The eutectic behavior of DES allows for the formation of stable liquid mixtures that facilitate the separation of desired compounds from the oil matrix. The molecular dynamics simulations further support this observation, highlighting the interactions between DES and hydrocarbons and the role of DES in promoting the extraction process.

Furthermore, we explore the potential industrial applicability of DES in various industries, such as petrochemicals, pharmaceuticals, and environmental remediation. DES's unique properties, including their low toxicity, high solubility, and ability to selectively extract target compounds, make them attractive for these applications. We discuss the challenges and opportunities associated with implementing DES in industrial settings and propose strategies to overcome them.

In conclusion, this study highlights the potential of Deep Eutectic Solvents (DES) in extracting aromatics and polyaromatics from fuel oil. Through our exploration of the eutectic behavior, molecular dynamics insights, and industrial applicability, we demonstrate the promise of DES as a sustainable and efficient alternative to conventional extraction methods. Further research and development are necessary to fully harness the potential of DES in various industries and contribute to the sustainable extraction of valuable compounds from complex matrices.

Weight: 540g
Dimension: 234 x 156 (mm)
ISBN-13: 9781032138565