scholarly journals Investigation of Nonlinear Output-Input Microwave Power of DMSO-Ethanol Mixture by Molecular Dynamics Simulation

2018 ◽  
Vol 8 (1) ◽  
Author(s):  
Min Zhou ◽  
Ke Cheng ◽  
Haoran Sun ◽  
Guozhu Jia
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Microwave Power ◽  
Dynamics Simulation ◽  
Ethanol Mixture

Simulation Study of the Volume Properties and Diffusion of 1-Butyl-3-Methylimidazolium Tetrafluoroborate/Ethanol Mixture

2015 ◽  
Vol 1095 ◽  
pp. 363-366
Author(s):  
Guo Cai Tian ◽  
Ding Wang
Keyword(s):  
Molecular Dynamics ◽  
Diffusion Coefficient ◽  
Molecular Dynamics Simulation ◽  
Mole Fraction ◽  
Simulation Study ◽  
Simulation Method ◽  
Dynamics Simulation ◽  
Ethanol Mixture ◽  
Volume Properties ◽  
And Diffusion

The molecular dynamics simulation method is used to study volume properties and diffusion of 1-butyl-3-methylimidazolium tetrafluoroborate ([Bmim][BF4])/ethanol mixture with different molar fractions of ethanol. It is found that the density of the mixture decrease with the increasing of the mole fraction of ethanol, whereas the diffusion coefficient increases. The excess molar volume all appear negative over the entire mole fraction of ethanol which agree well with experimental results.

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