Molecular dynamics study of the transport properties and local structures of molten binary systems (Li, Na)Cl, (Li, K)Cl and (Na, K)Cl

2015 ◽  
Vol 209 ◽  
pp. 498-507 ◽  
Author(s):  
Jia Wang ◽  
Jie Wu ◽  
Ze Sun ◽  
Guimin Lu ◽  
Jianguo Yu
Keyword(s):  
Molecular Dynamics ◽  
Transport Properties ◽  
Binary Systems ◽  
Local Structures

Combined NMR and molecular dynamics modeling study of transport properties in sulfonamide based deep eutectic lithium electrolytes: LiTFSI based binary systems

2016 ◽  
Vol 18 (9) ◽  
pp. 6657-6667 ◽  
Author(s):  
Allen D. Pauric ◽  
Ion C. Halalay ◽  
Gillian R. Goward
Keyword(s):  
Molecular Dynamics ◽  
Transport Properties ◽  
Binary Systems ◽  
Electrolyte Solutions ◽  
Electrochemical Stability ◽  
Li Ion Batteries ◽  
Dynamics Modeling ◽  
Molecular Dynamics Modeling ◽  
Li Ion ◽  
Modeling Study

The trend toward Li-ion batteries operating at increased (>4.3 V vs. Li/Li+) voltages requires the development of novel classes of lithium electrolytes with electrochemical stability windows exceeding those of LiPF6/carbonate electrolyte solutions.

Molecular dynamics simulations of the local structures and transport properties of Na2CO3 and K2CO3

2018 ◽  
Vol 227 ◽  
pp. 555-563 ◽  
Author(s):  
Jing Ding ◽  
Gechuanqi Pan ◽  
Lichan Du ◽  
Jianfeng Lu ◽  
Weilong Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Transport Properties ◽  
Local Structures ◽  
Dynamics Simulations

Molecular dynamics investigation on the local structures and transport properties of uranium ion in LiCl-KCl molten salt

2018 ◽  
Vol 511 ◽  
pp. 75-82 ◽  
Author(s):  
Jian-Xing Dai ◽  
Wei Zhang ◽  
Cui-Lan Ren ◽  
Han Han ◽  
Xiao-Jing Guo ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molten Salt ◽  
Transport Properties ◽  
Local Structures ◽  
Uranium Ion

A MOLECULAR DYNAMICS STUDY ON THERMOPHYSICAL AND TRANSPORT PROPERTIES OF FLUORINATED ALKANE LIQUIDS

2018 ◽  
Author(s):  
Gota Kikugawa ◽  
Naoki Minami ◽  
Yingping Fang ◽  
Mitsuru Nemoto ◽  
Hiroki Matsubara ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Transport Properties
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