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Nano-droplet contact angle acquiring method based on molecular dynamics simulation

A molecular dynamics and acquisition method technology, applied in the field of nano-droplet contact angle acquisition based on molecular dynamics simulation, can solve the problems of large measurement error and low data reliability, and achieve the effect of solving the large measurement error

Active Publication Date: 2020-02-11
ANHUI POLYTECHNIC UNIV MECHANICAL & ELECTRICAL COLLEGE
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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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  • Nano-droplet contact angle acquiring method based on molecular dynamics simulation
  • Nano-droplet contact angle acquiring method based on molecular dynamics simulation
  • Nano-droplet contact angle acquiring method based on molecular dynamics simulation

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Embodiment Construction

[0022] In order to make the object, technical solution and advantages of the present invention clearer, the present invention will be further described in detail below in conjunction with the accompanying drawings and embodiments. It should be understood that the specific embodiments described here are only used to explain the present invention, not to limit the present invention.

[0023] figure 1 The flow chart of the method for obtaining the contact angle of nano-droplets in molecular dynamics simulation provided by the embodiment of the present invention, the method specifically includes the following steps:

[0024] S1. Use the LAMMPS software to output the position and number density data of the droplet molecules at equilibrium, store them in the txt text, then add the corresponding file headers, and import them into TECPLOT;

[0025] S2, TECPLOT divides the number density data into different number density regions, uses the number density contour where the number densi...

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Abstract

The invention is applicable to the field of measurement technologies, and provides a nano-droplet contact angle acquiring method based on molecular dynamics simulation. The method comprises the stepsthat LAMPPS software is used to output the position and number density of droplet molecules at equilibrium, and TECLPOT software is imported; the TECLPOT software divides the imported number density into different number density regions; the number density contour where the median number density is located is used as the liquid-gas surface and the solid-gas surface, and data points located on thenumber density contour are extracted, wherein the data points are composed of wet length and droplet height and imported into MATLAB; a MATLAB polynomial fitting method is used to perform liquid-gas fit curve and solid-gas fit curve fitting on the imported data points, and the intersection of two fitted curves is determined; the tilt angles of the intersection on the two fitted curves are determined; and the absolute value of the difference between the two tilt angles is the static contact angle of the droplet. By capturing the appropriate liquid-gas and solid-gas interface, the calculation ofthe droplet contact angle is more credible. The problems of large measurement errors and low data reliability of artificial measurement of static contact angle are solved.

Description

technical field [0001] The invention belongs to the technical field of measurement, and provides a method for obtaining the contact angle of nano-droplets based on molecular dynamics simulation. Background technique [0002] Droplet wetting covers multiple scales (macroscopic, mesoscopic, and microscopic), and is a key research direction for basic research and engineering applications, such as pesticide deposition, aircraft fuselage anti-icing, internal combustion engine fuel wall adhesion, and micro-nano machine adhesion failure And other issues. In pesticide spraying, the more hydrophilic the pesticide droplets, the larger the contact area between the pesticide and the plant leaves, and the more obvious the insecticidal effect. For aircraft fuselage anti-icing, internal combustion engine fuel sticking to the wall, and micro-nano machine adhesion failure, if the droplet can present a hydrophobic or super-hydrophobic shape when the wall is still, the droplet is likely to re...

Claims

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G16C10/00G01N13/00G01N13/02
CPCG16C10/00G01N13/00G01N13/02G01N2013/0208
Inventor 尹宗军王玲芝许星月洪雨孙鹏
Owner ANHUI POLYTECHNIC UNIV MECHANICAL & ELECTRICAL COLLEGE
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