[Published online Journal of Computer Chemistry, Japan Vol.15, 221-222, by J-STAGE]
<Title:> 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
<Author(s):> 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
<Corresponding author E-Mill:> hatakeyama(at)aki.niche.tohoku.ac.jp
<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.
<Keywords:> Biofilm, Extracellular Polymer Substances (EPS), Ultra-Accelerated Quantum Chemical Molecular Dynamics (UA-QCMD), Kinetic Monte Carlo (KMC), Computational Fluid Dynamics (CFD)
<URL:> https://www.jstage.jst.go.jp/article/jccj/15/6/15_2016-0060/_article/-char/ja/
<Title:> 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
<Author(s):> 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
<Corresponding author E-Mill:> hatakeyama(at)aki.niche.tohoku.ac.jp
<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.
<Keywords:> Biofilm, Extracellular Polymer Substances (EPS), Ultra-Accelerated Quantum Chemical Molecular Dynamics (UA-QCMD), Kinetic Monte Carlo (KMC), Computational Fluid Dynamics (CFD)
<URL:> https://www.jstage.jst.go.jp/article/jccj/15/6/15_2016-0060/_article/-char/ja/
