Multiscale simulation of reverse osmosis carbon nanotube-polyamide nanocomposite membranes

2020 Fiscal Year Research-status Report

• Project/Area Number: 19K12001
• Research Institution: Shinshu University
• Principal Investigator: Cruz Rodolfo 信州大学, 先鋭領域融合研究群先鋭材料研究所, 特任教授 (30597878)
• Project Period (FY): 2019-04-01 – 2022-03-31
• Keywords: desalination / water diffusion / molecular dynamics / hydration / polymer network

Outline of Annual Research Achievements

Ｗｅ　ｗｉｌｌ　ｃａｒｒｙ　ｏｕｔ　ｅｘｐｅｒｉｍｅｎｔｓ　ａｎｄ　ｃｏｎｔｒａｓｔ　ｔｈｅｍ　ｗｉｔｈ　ｃｏｍｐｕｔａｔｉｏｎａｌ　ｍｏｄｅｌｓ　ｔｏ　ｕｎｄｅｒｓｔａｎｄ　ｔｈｅ　ｄｉｆｆｕｓｉｏｎ　ｏｆ　ｗａｔｅｒ　ｉｎｔｏ　ｔｈｅ　ｎａｎｏｃｏｍｐｏｓｉｔｅ　ｍｅｍｂｒａｎｅｓ．Ｗｅ　ｄｅｍｏｎｓｔｒａｔｅｄ　ｔｈａｔ　ａｒｏｍａｔｉｃ　ｐｏｌｙａｍｉｄｅ　ｒｅｉｎｆｏｒｃｅｄ　ｗｉｔｈ　ＴＥＭＰＯ－ｏｘｉｄｉｚｅｄ　ｃｒｙｓｔａｌｌｉｎｅ　ｃｅｌｌｕｌｏｓｅ　ｎａｎｏｆｉｂｅｒｓ　ｈａｖｅ　ｂｅｔｔｅｒ　ｃｈｌｏｒｉｎｅ　ｒｅｓｉｓｔａｎｃｅ，　ｐｅｒｍｅａｔｉｏｎ，　ａｎｄ　ａｎｔｉｆｏｕｌｉｎｇ　ｃｏｍｐａｒｅｄ　ｔｏ　ａｒｏｍａｔｉｃ　ｐｏｌｙａｍｉｄｅ　ｍｅｍｂｒａｎｅｓ．Ｍｏｌｅｃｕｌａｒ　ｄｙｎａｍｉｃｓ　ｓｕｇｇｅｓｔ　ｔｈａｔ　ＣＮＦ　ｒｅｄｕｃｅ　ｔｈｅ　ｐｏｌｙｍｅｒ　ｄｉｆｆｕｓｉｏｎ　ａｎｄ　ｉｎｃｒｅａｓｅ　ｔｈｅ　ｍａｔｒｉｘ　ｈｙｄｒｏｐｈｉｌｉｃｉｔｙ　ｗｉｔｈｏｕｔ　ａｆｆｅｃｔｉｎｇ　ｓｕｒｆａｃｅ　ｃｈｅｍｉｃａｌ　ｃｏｍｐｏｓｉｔｉｏｎ　ｏｆ　ｔｈｅ　ｍｅｍｂｒａｎｅ．　Ｍｅｍｂｒａｎｅ　ｍｏｒｐｈｏｌｏｇｙ　ｗａｓ　ｏｂｓｅｒｖｅｄ　ｂｙ　ｓｅｖｅｒａｌ　ｔｅｃｈｎｉｑｕｅｓ，　ｓｕｃｈ　ａｓ　ｅｌｅｃｔｒｏｎ　ａｎｄ　ｌａｓｅｒ　ｃｏｎｆｏｃａｌ　ｍｉｃｒｏｓｃｏｐｙ．　　ＣＮＦ　ｓｈｏｗｓ　ｇｒｅａｔ　ｐｏｔｅｎｔｉａｌ　ａｓ　ａ　ｎｅｗ　ｎａｎｏｒｅｉｎｆｏｒｃｉｎｇ　ｍａｔｅｒｉａｌ　ｆｏｒ　ｎａｎｏｃｏｍｐｏｓｉｔｅ　ａｒｏｍａｔｉｃ　ｐｏｌｙａｍｉｄｅ　ｍｅｍｂｒａｎｅｓ．

Current Status of Research Progress

2: Research has progressed on the whole more than it was originally planned.

Reason

Ｌａｓｔ　ｙｅａｒ　ｔｈｅ　ｐｒｏｊｅｃｔ　ｗａｓ　ｓｌｉｇｈｔｌｙ　ｄｉｓｒｕｐｔｅｄ　ｂｙ　ｔｈｅ　ＣＯＶＩＤ－１９　ｅｍｅｒｇｅｎｃｙ．　Ｗｅ　ｈａｄ　ｔｏ　ｗｏｒｋ　ｆｒｏｍ　ｈｏｍｅ　ｆｏｒ　ａ　ｓｈｏｒｔ　ｐｅｒｉｏｄ　ｏｆ　ｔｉｍｅ　ｉｎ　Ｍａｙ　２０２０，　ｈｏｗｅｖｅｒ，　Ｉ　ｔｏｏｋ　ａｄｖａｎｔａｇｅ　ｔｏ　ｌｅａｒｎ　ｎｅｗ　ｃｏｍｐｕｔａｔｉｏｎａｌ　ｃｈｅｍｉｓｔｒｙ　ｔｏｏｌｓ．　Ａｆｔｅｒ　ｗｅ　ｒｅｔｕｒｎｅｄ　ｔｏ　ｗｏｒｋ　ｉｔ　ｗａｓ　ｄｉｆｆｉｃｕｌｔ　ａｌｓｏ　ｔｏ　ｃｏｕｎｔ　ｗｉｔｈ　ｔｈｅ　ｓｕｐｐｏｒｔ　ｏｆ　ｓｔｕｄｅｎｔｓ　ａｓ　ｔｈｅ　ａｔｔｅｎｄａｎｃｅ　ｏｆ　ｐｅｏｐｌｅ　ｗａｓ　ｒｅｓｔｒｉｃｔｅｄ．　Ｈｏｗｅｖｅｒ，　ｗｅ　ｆｏｃｕｓｅｄ　ｏｎ　ｄｅｖｅｌｏｐｉｎｇ　ｔｈｅ　ｐｒｏｊｅｃｔ　ｂｙ　ｍｅａｎｓ　ｏｆ　ｃｏｍｐｕｔａｔｉｏｎａｌ　ｐｈｙｓｉｃｓ　ａｎｄ　ａｄｄｉｔｉｏｎａｌ　ｗｏｒｋｓｔａｔｉｏｎｓ　ｗｅｒｅ　ｐｕｒｃｈａｓｅｄ．　Ｗｅ　ｈａｖｅ　ｎｅｗ　ａｎｄ　ｅｘｃｉｔｉｎｇ　ｒｅｓｕｌｔｓ　ｔｈａｔ　ｗｉｌｌ　ｂｅ　ｐｕｂｌｉｓｈｅｄ　ｓｏｏｎ．

Strategy for Future Research Activity

Ｉｎ　ｔｈｅ　ｆｉｎａｌ　ｙｅａｒ　ｗｅ　ｗｉｌｌ　ｃｏｎｔｉｎｕｅ　ａｓ　ｐｌａｎｎｅｄ　ｉｎ　ｔｈｅ　ｏｒｉｇｉｎａｌ　ｐｒｏｐｏｓａｌ．　Ｗｅ　ｗｉｌｌ　ｃａｒｒｙ　ｏｕｔ　ｅｘｐｅｒｉｍｅｎｔｓ　ａｎｄ　ｃｏｎｔｒａｓｔ　ｔｈｅｍ　ｗｉｔｈ　ｃｏｍｐｕｔａｔｉｏｎａｌ　ｍｏｄｅｌｓ　ｔｏ　ｕｎｄｅｒｓｔａｎｄ　ｔｈｅ　ｄｉｆｆｕｓｉｏｎ　ｏｆ　ｗａｔｅｒ　ｉｎｔｏ　ｔｈｅ　ｎａｎｏｃｏｍｐｏｓｉｔｅ　ｍｅｍｂｒａｎｅｓ．　Ｗｅ　ａｒｅ　ｐｒｅｐａｒｉｎｇ　ａ　ｃｏｕｐｌｅ　ｏｆ　ｐａｐｅｒｓ　ｂａｓｅｄ　ｉｎ　ＣＮＴ－ＰＡ　ａｎｄ　ａ　ｃｒｉｔｉｃａｌ　ｒｅｖｉｅｗ　ｏｆ　ｔｈｅ　ｔｏｐｉｃ

Causes of Carryover

Ｉ　ａｍ　ｐｌａｎｎｉｎｇ　ｔｏ　ｂｕｙ　ｏｎｅ　ａｄｄｉｔｉｏｎａｌ　ｌａｐｔｏｐ．　Ｉ　ｅｘｐｅｃｔ　ｂｙ　ｔｈｅ　ｅｎｄ　ｏｆ　ｔｈｅ　ｆｉｓｃａｌ　ｙｅａｒ，　ｔｒａｖｅｌｉｎｇ　ａｒｅ　ｒｅｓｕｍｅｄ　ａｎｄ　Ｉ　ｃａｎ　ａｔｔｅｎｄ　ａｎ　ｉｎｔｅｒｎａｔｉｏｎａｌ　ｃｏｎｆｅｒｅｎｃｅ．　Ｔｈｅ　ｒｅｓｔ　ｏｆ　ｔｈｅ　ｍｏｎｅｙ　ｗｉｌｌ　ｂｅ　ｕｓｅｄ　ｔｏ　ｂｕｙ　ｅｘｐｅｒｉｍｅｎｔａｌ　ｍａｔｅｒｉａｌ　ｆｏｒ　ｔｈｅ　ｌａｂｏｒａｔｏｒｙ　ａｎｄ　ｐｒｏｖｉｄｅ　ａ　ｓｃｈｏｌａｒｓｈｉｐ　ｆｏｒ　ａ　ｓｔｕｄｅｎｔ　ｗｏｒｋｉｎｇ　ａｓ　ｐａｒｔ　ｔｉｍｅ．

Research Products

• [Journal Article] Nanocomposite desalination membranes made of aromatic polyamide with cellulose nanofibers: synthesis, performance, and water diffusion study (2020)
  • Author(s): Rodolfo Cruz-Silva, Kazuo Izu , Jun Maeda, Shigeru Saito, Aaron Morelos-Gomez, Celia Aguilar, Yoshihiro Takizawa, Ayaka Yamanaka, Syogo Tejiima, Kazunori Fujisawa, Kenji Takeuchi, Takuya Hayashi, Toru Noguchi, Akira Isogai, Morinobu Endo
  • Journal Title: Nanoscale Volume: 38 Pages: 19628-19637
  • DOI: 10.1039/D0NR02915G
  • Peer Reviewed / Int'l Joint Research
• [Presentation] Synthesis and Characterization of Cellulose Nanofiber Reinforced Aromatic Polyamide Membranes (2020)
  • Author(s): Rodolfo Cruz-Silva, Kazuo Izu, Jun Maeda, Shigeru Saito, Aaron Morelos-Gomez, Celia Aguilar, Yoshihiro Takizawa, Yamanaka Ayaka, Syogo Tejima, Kazunori Fujisawa, Kenji Takeuchi, Takuya Hayashi, Toru Noguchi, Akira Isogai, Morinobu Endo
  • Organizer: 2020 Virtual MRS Spring/Fall Meeting & Exhibit, Boston USA
  • Int'l Joint Research