Structure and Dynamics of Thymol - Fatty Acids Based Deep Eutectic Solvent Investigated by Molecular Dynamics Simulation

2021 ◽  
pp. 113241
Author(s):  
Samaneh Barani Pour ◽  
Jaber Jahanbin Sardroodi ◽  
Alireza Rastkar Ebrahimzadeh
Keyword(s):  
Molecular Dynamics ◽  
Fatty Acids ◽  
Molecular Dynamics Simulation ◽  
Deep Eutectic Solvent ◽  
Dynamics Simulation ◽  
Structure And Dynamics

scholarly journals Molecular Insight into the Structure and Dynamics of LiTf2N/Deep Eutectic Solvent: An Electrolyte for Li-ion Batteries

2021 ◽  
Author(s):  
kishant kumar ◽  
Anand Bharti ◽  
Rudra Kumar
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Deep Eutectic Solvent ◽  
Lithium Ion ◽  
Dynamics Simulation ◽  
Metal Extraction ◽  
Li Ion Batteries ◽  
Structure And Dynamics ◽  
Li Ion ◽  
Insight Into

Two choline based deep eutectic solvent namely ethaline and glyceline have been used in different applications such as metal extraction, solubility and in electrochemistry because of its easy availability, inexpensive and non-toxic nature. In this work, molecular dynamics simulation was employed to study the structural and transport properties of ethaline and glyceline when blended with Li+ based salt (Lithium Bis (trifluoromethane sulfonyl) imide (LiTf2N)) in varying concentration for the application as electrolytes in lithium ion batteries.

scholarly journals Molecular Insight into the Structure and Dynamics of LiTf2N/Deep Eutectic Solvent: An Electrolyte for Li-ion Batteries

2021 ◽  
Author(s):  
kishant kumar ◽  
Anand Bharti ◽  
Rudra Kumar
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Deep Eutectic Solvent ◽  
Lithium Ion ◽  
Dynamics Simulation ◽  
Metal Extraction ◽  
Li Ion Batteries ◽  
Structure And Dynamics ◽  
Li Ion ◽  
Insight Into

Two choline based deep eutectic solvent namely ethaline and glyceline have been used in different applications such as metal extraction, solubility and in electrochemistry because of its easy availability, inexpensive and non-toxic nature. In this work, molecular dynamics simulation was employed to study the structural and transport properties of ethaline and glyceline when blended with Li+ based salt (Lithium Bis (trifluoromethane sulfonyl) imide (LiTf2N)) in varying concentration for the application as electrolytes in lithium ion batteries.

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