High-flux calculation and analysis method for water contact angle of polyurethane resin
The invention relates to a high-throughput calculation and analysis method for a water contact angle of polyurethane resin, which comprises the following steps of: firstly, constructing a to-be-detected polyurethane molecular chain through polyurethane molecular combination construction software, an...
Gespeichert in:
Hauptverfasser: | , , , , , , , , , , |
---|---|
Format: | Patent |
Sprache: | chi ; eng |
Schlagworte: | |
Online-Zugang: | Volltext bestellen |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
Zusammenfassung: | The invention relates to a high-throughput calculation and analysis method for a water contact angle of polyurethane resin, which comprises the following steps of: firstly, constructing a to-be-detected polyurethane molecular chain through polyurethane molecular combination construction software, and then constructing a to-be-detected polyurethane liquid drop model based on polymer auxiliary modeling software; the method comprises the following steps of: constructing a to-be-detected polyurethane droplet model by using a density cloud chart, then performing molecular dynamics simulation on the constructed to-be-detected polyurethane droplet model by using an LAMMPS module in Matcloud +, and finally quickly establishing a corresponding relation between a polyurethane structure and a water contact angle through the density cloud chart, thereby reducing unnecessary physical experiments, pointedly performing polyurethane resin experiment research and development, and comparing with an experiment true value to fin |
---|