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...

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Bibliographische Detailangaben
Hauptverfasser: LUO XINLIANG, SHI LIPING, WANG HUIHUI, DI ZHIGANG, LIU RUI, TAN WEIMIN, CAO YACHENG, CHEN LI, RAO XINGXING, WANG YAXIN, KONG JI-WON
Format: Patent
Sprache:chi ; eng
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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