Molecular dynamics study of the aggregation rate for zwitterionic dodecyldimethylamine oxide and cationic dodecyltrimethylammonium chloride micelles

2017 ◽  
Vol 43 (13-16) ◽  
pp. 1331-1337 ◽  
Author(s):  
Kazushi Fujimoto ◽  
Yousuke Kubo ◽  
Shinji Kawada ◽  
Noriyuki Yoshii ◽  
Susumu Okazaki
Keyword(s):  
Molecular Dynamics ◽  
Dodecyldimethylamine Oxide ◽  
Aggregation Rate ◽  
Dodecyltrimethylammonium Chloride

Molecular Dynamics Study of Aggregation in Nanofluid Flow: Effects of Liquid–Nanoparticle Interaction Strength and Particles Volume Fraction

2015 ◽  
Vol 07 (01) ◽  
pp. 1550010 ◽  
Author(s):  
Habib Aminfar ◽  
Nayyer Razmara ◽  
Mousa Mohammadpourfard
Keyword(s):  
Experimental Data ◽  
Molecular Dynamics ◽  
Volume Fraction ◽  
Interaction Strength ◽  
Aggregation Process ◽  
Nanofluid Flow ◽  
Aggregation Rate ◽  
Flow Effects ◽  
Dynamics Simulations ◽  
Good Agreement

Molecular dynamics simulations (MDSs) are carried on to examine the effects of liquid–nanoparticle (NP) interaction strength, size and number of nanoparticles on the aggregation process in liquid-based nanofluid flowing inside nanochannel. The results show that the increase in liquid–NP interaction strength leads to the reduction of aggregation rate. In addition, the increase in the size and number of NPs leads to more aggregation rate. Predicted results for aggregation trend are in good agreement with experimental data. Likewise, variations of velocity profile and density distribution of liquid particles inside nanochannel are explored.

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