Molecular Dynamics Simulation of Interfacial Phenomena in Two-Phase Flow: A Review

2010 ◽  
Vol 1 (3) ◽  
pp. 219-244
Author(s):  
S. Jesseela ◽  
C. Sobhan
2005 ◽  
Vol 19 (01n03) ◽  
pp. 679-681
Author(s):  
D. L. ZENG ◽  
X. M. ZHANG ◽  
D. M. WANG ◽  
J. F. LIU

A molecular dynamics simulation (MDS) was performed to investigate the characteristics of the interfacial feature between coexisting phases in equilibrium. It is considered that the interface is a fractal surface. The fractal configuration and the dimension of it were presented in the paper.


Micromachines ◽  
2021 ◽  
Vol 12 (8) ◽  
pp. 883
Author(s):  
Haicheng Lv ◽  
Zhirong Yang ◽  
Jing Zhang ◽  
Gang Qian ◽  
Xuezhi Duan ◽  
...  

Based on the split-and-recombine principle, a millimeter-scale butterfly-shaped microreactor was designed and fabricated through femtosecond laser micromachining. The velocity fields, streamlines and pressure fields of the single-phase flow in the microreactor were obtained by a computational fluid dynamics simulation, and the influence of flow rates on the homogeneous mixing efficiency was quantified by the mixing index. The flow behaviors in the microreactor were investigated using water and n-butanol, from which schematic diagrams of various flow patterns were given and a flow pattern map was established for regulating the flow behavior via controlling the flow rates of the two-phase flow. Furthermore, effects of the two-phase flow rates on the droplet flow behavior (droplet number, droplet size and standard deviation) in the microreactor were investigated. In addition, the interfacial mass transfer behaviors of liquid–liquid flow were evaluated using the standard low interfacial tension system of “n-butanol/succinic acid/water”, where the dependence between the flow pattern and mass transfer was discussed. The empirical relationship between the volumetric mass transfer coefficient and Reynold number was established with prediction error less than 20%.


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