Insights into the interactions and dynamics of a DES formed by phenyl propionic acid and choline chloride
Abstract Deep eutectic solvents (DESs) have received much attention in modern green chemistry as inexpensive and easy to handle analogous ionic liquids. This work employed molecular dynamics techniques to investigate the structure and dynamics of a DES system composed of choline chloride and phenyl...
Main Authors: | Parisa Jahanbakhsh Bonab, Alireza Rastkar Ebrahimzadeh, Jaber Jahanbin Sardroodi |
---|---|
Format: | Article |
Language: | English |
Published: |
Nature Publishing Group
2021-03-01
|
Series: | Scientific Reports |
Online Access: | https://doi.org/10.1038/s41598-021-85260-z |
Similar Items
-
TiO2/Gold nanocomposite as an extremely sensitive molecule sensor for NO2 detection: A DFT study
by: Amirali Abbasi, et al.
Published: (2016-07-01) -
A First-Principles Study of the Interaction of Aspirin with Nitrogen-Doped TiO2 Anatase Nanoparticles
by: Amirali Abbasi, et al.
Published: (2016-10-01) -
The interaction of acrolein with pristine and N-doped TiO2 anatase nanoparticles: A DFT study
by: Amirali Abbasi, et al.
Published: (2016-11-01) -
A theoretical investigation of the interaction of Immucillin-A with N-doped TiO2 anatase nanoparticles: Applications to nanobiosensors and nanocarriers
by: Amirali Abbasi, et al.
Published: (2017-02-01) -
Adsorption of H2S molecule on TiO2/Au nanocomposites: A density functional theory study
by: Amirali Abbasi, et al.
Published: (2017-01-01)