DISSIPATIVE PARTICLE DYNAMICS METHOD FOR SIMULATING INTERFACIAL POLYMERIZATION PROCESS OF HYDROGEL MEMBRANE

摘要

The present invention relates to a dissipative particle dynamics (DPD) method for simulating an interfacial polymerization process of a hydrogel membrane. The method includes the following steps: 1) selecting various components with chemical structures thereof in a hydrogel phase and an organic phase of an interfacial polymerization system; 2) constructing a DPD model of solvent, hydrogel membrane material and water-soluble monomer in the hydrogel phase and a DPD model of organic solvent and oil-soluble monomer in the organic phase; 3) establishing a DPD model of the interfacial polymerization system composed of the hydrogel phase and the organic phase; 4) calculating an interaction parameter between DPD beads, that is, a conservative force parameter; 5) performing a DPD simulation by using Materials Studio software; and 6) evaluating an influencing factor determining the performance of the separation layer during the interfacial polymerization process according to the calculation file.