Method for Obtaining Contact Angle of Nano-droplets Based on Molecular Dynamics Simulation

Abstract

The invention is applicable to the field of measurement technology, and provides a method for obtaining the contact angle of nano-droplets based on molecular dynamics simulation, comprising: using LAMMPS software to output the position and number density of droplet molecules in equilibrium, and importing them into TECPLOT software; The imported number density is divided into different number density regions, and the number density contour line where the median value of the number density is located is used as the liquid-gas surface and the solid-gas surface, and the data points located on the number density contour line are extracted. The composition of length and droplet height is imported into MATLAB; the imported data points are fitted by the liquid-gas fitting curve and the solid-gas fitting curve, and the intersection point of the two fitting curves is determined; the intersection point is determined between the two fitting curves. The inclination angle on the curve, the absolute value of the difference between the two inclination angles is the static contact angle of the droplet. By capturing the appropriate liquid-gas and solid-gas interfaces, the calculation of the droplet contact angle is more credible, and the problems of large measurement error and low data reliability in artificially measuring the static contact angle are solved.

Description

Technical field [0001] The present invention belongs to the field of measurement, and provides a method of obtaining a nanofluid contact angle acquisition based on molecular dynamics simulation. Background technique [0002] Droplets Wetting Multiple Scales (Macro, Entering, and Micro), is the focus of basic research and engineering applications, such as pesticide deposition, airborne body anti-ice, internal combustion adhesive walls, micro-machine adhesion failure And other issues. In the pesticide spray, the pesticide droplets are proceeding, the larger the contact area of ​​the pesticide and plant leaves, the more obvious insecticidal effect. For the aircraft fuselage, the adhesion of the internal fuel adhesive wall and the micro-engine fuel adhesive wall and the micro-nano-machine can exhibit hydrophobic or superhydrophobic morphology when the wall is stationary. Wall, this will benefit engineering needs. In recent years, molecular dynamics simulation methods have been used, ...

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Problems solved by technology

[0004] The embodiment of the present invention provides a method for obtaining the contact angle of nano-droplets based on molecular dynamics simulation, which aims to solve the problems of large measurement errors and low data reliability in the artificial measurement of static contact angles

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