マルチスケール計算化学に基づく汚れ付着シミュレーション技術の開発

畠山 望; 長山 千恵子; 畑 北斗; 石澤 由紀江; 佐藤 亮; ボノー パトリック; 三浦 隆治; 鈴木 愛; 宮本 明

doi:10.2477/jccj.2016-0060

Letters (Selected Paper)

Development of Biofilm Growth Simulation based on Multiscale Computational Chemistry

Nozomu HATAKEYAMA, Chieko NAGAYAMA, Hokuto HATA, Yukie ISHIZAWA, Ryo SATO, Patrick BONNAUD, Ryuji MIURA, Ai SUZUKI, Akira MIYAMOTO

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Nozomu HATAKEYAMA
New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
Chieko NAGAYAMA
New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
Hokuto HATA
New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
Yukie ISHIZAWA
New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
Ryo SATO
New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
Patrick BONNAUD
New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
Ryuji MIURA
New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
Ai SUZUKI
New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
Akira MIYAMOTO
New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan

Keywords: Biofilm, Extracellular Polymer Substances (EPS), Ultra-Accelerated Quantum Chemical Molecular Dynamics (UA-QCMD), Kinetic Monte Carlo (KMC), Computational Fluid Dynamics (CFD)

JOURNAL FREE ACCESS FULL-TEXT HTML

2016 Volume 15 Issue 6 Pages 221-222

DOI https://doi.org/10.2477/jccj.2016-0060

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Abstract

Plumbing stains grow up from invisible attachment of urea and urolith in the molecular level to biofilms in which bacteria adsorb such nutrients and secrete extracellular polymer substances. In order to understand and control such biofilm growth, we have developed a multiscale simulation that can analyze from adhesion of stains on the molecular scale to accumulation of biofilm on actual scale. In the present study, the biofilm growth and peeling by shear flow was successfully simulated for the condition of typical toilet use.

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