研究実績の概要 |
We compared two different force fields (reax and GAFF) to calculate the diffusion of water in plain polyamide. We parameterized the new polymer we are using for a new generation of membranes. It is a polyamide based on piperazine. We carried out the study of molecular dynamics of two different systems: perfluoroalkylated compounds and phthalate compounds. We submitted one extended abstract to participate in the Innovation Driven Desalination Conference in Jedda, but it was postponed due to COVID alert. Some of the water difussion calculations were included in the following paper: Antifouling performance of spiral wound type module made of carbon nanotubes/polyamide composite RO membrane for seawater desalinatio. Juan L Fajardo-Diaz, Aaron Morelos-Gomez, Rodolfo Cruz-Silva, Akito Matsumoto, Yutaka Ueno, Norihiro Takeuchi, Kotaro Kitamura, Hiroki Miyakawa, Syogo Tejima, Kenji Takeuchi, Koichi Tsuzuki, Morinobu Endo, Desalination, 523, 115445.
|