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oai:riubu.ubu.es:10259/94952024-07-27T00:05:23Zcom_10259_4323com_10259_5086com_10259_2604col_10259_4330

2024-07-26T09:26:27Z urn:hdl:10259/9495 A study on monoterpenoid-based natural deep eutectic solvents Rozas Azcona, Sara Zamora Pastor, Lorena Benito, Cristina Atilhan, Mert Aparicio Martínez, Santiago Natural deep eutectic solvents Terpenes DFT MD COSMO-RS CO2 solubility Herein, the synthesis and characterization methods of natural deep eutectic solvents based on monoterpenoids have been presented. Low viscous fluids with suitable physicochemical properties are produced. The materials are non-toxic, biodegradable, and cost-effective. Thus, they can be used to develop sustainable solvents for various processes and can find their applications in various fields. A theoretical study based on quantum chemistry and classical molecular dynamics is used for the nanoscopic characterization of structure, dynamics, and hydrogen bonding. The reported results help analyze the properties of this new family of solvents. The required information for developing structure–property relationships for proper solvent design to form a sustainable chemistry framework is obtained. 2024-07-26T09:26:27Z 2024-07-26T09:26:27Z 2023-03 info:eu-repo/semantics/article 2666-9528 http://hdl.handle.net/10259/9495 10.1016/j.gce.2022.05.005 eng Green Chemical Engineering. 2023, V. 4, n. 1, p. 99-114 https://doi.org/10.1016/j.gce.2022.05.005 http://creativecommons.org/licenses/by-nc-nd/4.0/ info:eu-repo/semantics/openAccess Attribution-NonCommercial-NoDerivatives 4.0 Internacional Elsevier