RT info:eu-repo/semantics/article
T1 A study on monoterpenoid-based natural deep eutectic solvents
A1 Rozas Azcona, Sara
A1 Zamora Pastor, Lorena
A1 Benito, Cristina
A1 Atilhan, Mert
A1 Aparicio Martínez, Santiago
K1 Natural deep eutectic solvents
K1 Terpenes
K1 DFT
K1 MD
K1 COSMO-RS
K1 CO2 solubility
K1 Química física
K1 Chemistry, Physical and theoretical
AB 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.
PB Elsevier
SN 2666-9528
YR 2023
FD 2023-03
LK http://hdl.handle.net/10259/9495
UL http://hdl.handle.net/10259/9495
LA eng
NO This work was funded by the Junta de Castilla y Leon (Spain, project  NANOCOMP-BU058P20 ) and the Ministerio de Ciencia, Innovación y Universidades (Spain, project  RTI2018–101987-B-I00 ).
DS Repositorio Institucional de la Universidad de Burgos
RD 23-nov-2024