Journal
FUEL
Volume 346, Issue -, Pages -Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.fuel.2023.128382
Keywords
Deep eutectic solvents; Gasoline additive; Extractive distillation; Quantum chemistry; Mechanism analysis
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In this study, the separation effect of the n-heptane/ethanol system was investigated using different dihydric alcohol/dicarboxylic acid as H-Bond donors in choline-based deep eutectic solvents. Experimentally obtained x-y phase diagrams showed that the separation effect improved with longer carbon chains of H-Bond donors. Molecular simulations explored the contributions of different H-Bond donors and their interactions with the separation system. The study also developed an extractive distillation separation process using deep eutectic solvents, demonstrating the feasibility of extracting ethanol from n-heptane.
Ethanol is a common fuel additive, which can significantly improve the quality of fuel. In this work, the sepa-ration effect of n-heptane/ethanol system was explored for the first time by using different dihydric alcohol/ dicarboxylic acid as H-Bond donor choline based deep eutectic solvents. The x-y phase diagrams of n-heptane/ ethanol system with different solvents as entrainers were obtained by experiment. With the carbon chain of H -Bond donors getting longer, the separation effect of solvents on the separation system is better. The contribution of different H-Bond donors to the separation of n-heptane/ethanol system and their intermolecular interactions were explored by molecular simulations. This is because the interaction between solvents and ethanol increases with the growth of H-Bond donor carbon chain. However, the attraction of solvents to n-heptane has been very weak, and has not increased with the increase of H-Bond donor carbon chain. The extractive distillation sepa-ration process with solvents as extractant was developed, which proved that it was feasible to extract ethanol from n-heptane using deep eutectic solvents. This study provides a new idea for the recovery of fuel oil additive ethanol, and provides guidance for the development of new deep eutectic solvents.
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