Molecular Simulation Study of the Adhesion Work for the Water Droplets on the Water Monolayer at Room Temperature

2021 ◽  
Author(s):  
Mengyang Qu ◽  
Bo Zhou ◽  
Chunlei Wang
Keyword(s):  
Molecular Simulation ◽  
Simulation Study ◽  
Room Temperature ◽  
Water Droplets ◽  
Adhesion Work

Molecular Simulation of the Contact Angle of Water Droplet on a Platinum Surface

2005 ◽  
Author(s):  
Bo Shi ◽  
Shashank Sinha ◽  
Vijay K. Dhir
Keyword(s):  
Contact Angle ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Water Droplet ◽  
Solid Wall ◽  
Contact Angles ◽  
Water Droplets ◽  
Platinum Surface

This paper presents a molecular simulation study of the contact angles of water droplets on a platinum surface for a range of temperatures. SPC/E and Z-P model are used for the water-water and water-platinum potentials, respectively. The results show that the contact angle decreases with the increase of system temperatures and increases when the potential decreases. When the temperature is high enough, the contact angles drop to zero degrees. The results were compared with the argon-virtual solid wall and water-Aluminum results, a similar trend was found.

Monte Carlo Molecular Simulation Study of Carbon Dioxide Sequestration into Dry and Wet Calcite Pores Containing Methane

2021 ◽  
Author(s):  
Srikanth Ravipati ◽  
Mirella Simoes Santos ◽  
Ioannis G. Economou ◽  
Amparo Galindo ◽  
George Jackson ◽  
...  
Keyword(s):  
Carbon Dioxide ◽  
Monte Carlo ◽  
Molecular Simulation ◽  
Simulation Study ◽  
Carbon Dioxide Sequestration
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