Understanding of electro-conjugate fluid flow with dibutyl decanedioate using numerical simulation—Calculating ion mobility using molecular dynamics simulation

2018 ◽  
Vol 255 ◽  
pp. 448-453 ◽  
Author(s):  
Y. Kuroboshi ◽  
K. Takemura ◽  
K. Edamura
Keyword(s):  
Numerical Simulation ◽  
Molecular Dynamics ◽  
Fluid Flow ◽  
Molecular Dynamics Simulation ◽  
Ion Mobility ◽  
Dynamics Simulation

Gas-Phase Structure of the Histone Multimers Characterized by Ion Mobility Mass Spectrometry and Molecular Dynamics Simulation

2013 ◽  
Vol 85 (8) ◽  
pp. 4165-4171 ◽  
Author(s):  
Kazumi Saikusa ◽  
Sotaro Fuchigami ◽  
Kyohei Takahashi ◽  
Yuuki Asano ◽  
Aritaka Nagadoi ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Gas Phase ◽  
Ion Mobility ◽  
Phase Structure ◽  
Dynamics Simulation ◽  
Ion Mobility Mass Spectrometry ◽  
Gas Phase Structure

EFFECTS OF HYDROPHOBIC SURFACE NANOBUBBLES ON THE FLOW IN NANOCHANNELS

2011 ◽  
Vol 25 (10) ◽  
pp. 773-780 ◽  
Author(s):  
HUI XIE ◽  
CHAO LIU
Keyword(s):  
Molecular Dynamics ◽  
Fluid Flow ◽  
Molecular Dynamics Simulation ◽  
Velocity Slip ◽  
Hydrophobic Surface ◽  
Dynamics Simulation ◽  
Attractive Force

It has been demonstrated that there are nanobubbles on hydrophobic surface. Molecular dynamics simulation was adopted to investigate the impacts of the hydrophobic surface nanobubbles on fluid flow in nanochannel. A method for calculating the velocity of nanobubbles is presented. The results show that the bubbles on two plates enhance the velocity slip and disturb the flow. The behavior is attributed to the attractive force between nanobubbles.

scholarly journals Ion mobility and clustering of sodium hydroxybenzoates in aqueous solutions: a molecular dynamics simulation study

2014 ◽  
Vol 16 (36) ◽  
pp. 19314-19326 ◽  
Author(s):  
Jure Gujt ◽  
Črtomir Podlipnik ◽  
Marija Bešter-Rogač ◽  
Eckhard Spohr
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Aqueous Solutions ◽  
Simulation Study ◽  
Ion Mobility ◽  
Cluster Formation ◽  
Dynamics Simulation ◽  
High Concentrations

At sufficiently high concentrations hydroxybenzoate anions in aqueous solutions form clusters of various sizes and shapes. Different degrees of cluster formation for each isomer lead to differences in their mobility.

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