Development of multiscale simulations on interfacial polymerization of polyamide desalination membranes

Research Project

Project/Area Number	25K00246
Research Category	Grant-in-Aid for Scientific Research (C)
Allocation Type	Multi-year Fund
Section	一般
Review Section	Basic Section 27010:Transport phenomena and unit operations-related
Research Institution	Kobe University
Principal Investigator	Mai Zhaohuan 神戸大学, 先端膜工学研究センター, 特命助教 (10993892)
Co-Investigator(Kenkyū-buntansha)	松山秀人神戸大学, 先端膜工学研究センター, 教授 (50181798) Guan Kecheng 神戸大学, 先端膜工学研究センター, 助教 (10912446)
Project Period (FY)	2025-04-01 – 2028-03-31
Project Status	Granted (Fiscal Year 2025)
Budget Amount *help	¥4,550,000 (Direct Cost: ¥3,500,000、Indirect Cost: ¥1,050,000) Fiscal Year 2027: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000) Fiscal Year 2026: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000) Fiscal Year 2025: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Keywords	multiscale simulation / IP reaction / polyamide membrane / molecular dynamics / DPD simulation
Outline of Research at the Start	To elucidate the nanomorphogenesis of polyamide membranes during interfacial polymerization, we will use molecular dynamics and dissipative particle dynamics simulations to clarify the nanoscopic heterogeneous structure along PA membrane thickness and the mesoscopic pattern formation on the surface.