Molecular dynamics simulation of quasi-two-dimensional water network on ice nucleation protein

Daisuke Murakami, Kenji Yasuoka

研究成果: Conference contribution

抄録

An ice nucleation protein induces a phase transition from liquid water to ice in air. A specific hydrophilic surface of the protein may have an influence on the network of hydrogen bonds touching on the protein. However, microscopic characteristics of the ice nucleation protein and behavior of water molecules on it have not been clarified. So we carried out molecular dynamics simulations in various quasi-two-dimensional densities of water molecules on the ice nucleation protein. The percolation threshold of water clusters was confirmed. Comparing another hydrophilic protein, the threshold density in both cases had nearly the same value. But percolation probabilities and mean cluster sizes near the threshold were different between both cases. Those results implied that the threshold density was consistent with the conventional theory, but the forming of water clusters near the threshold was influenced by the hydrophilicity on the ice nucleation protein

本文言語English
ホスト出版物のタイトルASME/JSME 2011 8th Thermal Engineering Joint Conference, AJTEC 2011
出版社American Society of Mechanical Engineers
ISBN(印刷版)9780791838921
DOI
出版ステータスPublished - 2011
イベントASME/JSME 2011 8th Thermal Engineering Joint Conference, AJTEC 2011 - Honolulu, HI, United States
継続期間: 2011 3月 132011 3月 17

出版物シリーズ

名前ASME/JSME 2011 8th Thermal Engineering Joint Conference, AJTEC 2011

Other

OtherASME/JSME 2011 8th Thermal Engineering Joint Conference, AJTEC 2011
国/地域United States
CityHonolulu, HI
Period11/3/1311/3/17

ASJC Scopus subject areas

  • エネルギー工学および電力技術

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