2026-06-03T02:51:23Zhttps://riubu.ubu.es/oai/requestoai:riubu.ubu.es:10259/117632026-06-02T00:05:40Zcom_10259_4323com_10259_5086com_10259_2604com_10259_6168col_10259_4330col_10259_6169
Repositorio Institucional de la Universidad de Burgos
author
Ozkilinc, Ozge
author
Bol Arreba, Alfredo
author
Soler, Miguel Angel
author
Fogolari, Federico
author
Aparicio Martínez, Santiago
2026-06-01T07:09:59Z
2026-06-01T07:09:59Z
2025-09
0888-5885
https://hdl.handle.net/10259/11763
10.1021/acs.iecr.5c00116
1520-5045
Deep eutectic solvents (DESs) are emerging green alternatives to traditional solvents, yet their behavior under high pressure (HP) remains underexplored. This study examines two thymol-based eutectic mixtures─thymol:1,8-cineole (1:1) and thymol:camphor (1:1)─using a combined experimental and molecular dynamics approach. Pressure–volume–temperature (PVT) measurements were conducted across 0.1–60 MPa and 293.15–343.15 K. The two systems displayed expected density trends but exhibited markedly different internal pressure responses: a maximum for the camphor system and a shallow minimum for the cineole mixture. Molecular dynamics simulations revealed more frequent hydrogen bonding and greater structural organization in the camphor system, highlighting how molecular structure affects interactions. Changes in hydrogen bonding and internal pressure remained within 25% over the entire pressure range. These results provide molecular-level insight into pressure effects on DESs, guiding their future application in chemical processing and materials science under nonambient conditions
eng
Atribución 4.0 Internacional
Thymol-Based Natural Deep Eutectic Solvents under Pressure: A Novel Platform for Green Solvents
info:eu-repo/semantics/article
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URL
https://riubu.ubu.es/bitstream/10259/11763/1/Ozkilinc-IECR_2025.pdf
File
MD5
d29e524948c165448a0e0126d1272688
11380650
application/pdf
Ozkilinc-IECR_2025.pdf