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publicationDate 2019-12-10-04:00^^<http://www.w3.org/2001/XMLSchema#date>
publicationNumber CN-110556168-A
titleOfInvention A simulation method for analyzing the diffusion properties of water-soluble monomers in gel films
abstract The invention belongs to the field of environmental materials, and discloses a simulation method for analyzing the diffusion properties of water-soluble monomers in a gel film. The specific steps are as follows: 1) selecting the gel film materials and water-soluble monomers to be simulated and analyzed; 2) constructing 3) Optimize the molecular dynamics model of the gel film system; 4) Perform molecular dynamics simulation on the optimized model; 5) Draw the MSD- t curve; Diffusion coefficients in film systems. The invention analyzes the diffusion performance of the water-soluble monomer molecules in the gel film system at the molecular level, and can quantitatively obtain the diffusion coefficient of the water-soluble monomer molecules in the gel film system, so as to know the influence of the hydrogel on the interfacial polymerization reaction. Provide data support for the preparation of high-performance membrane materials from hydrogels.
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