A study of polymerization processes as investigated by integrated computational chemistry method

Akira Endou, Shigekazu Hayashi, Huifeng Zhong, Taro Kawarasaki, Malani Hema, Hideyuki Tsuboi, Michihisa Koyama, Hiromitsu Takaba, Momoji Kubo, Carlos A. Del Carpio, Akira Miyamoto

研究成果: Paper査読

抄録

An improvement of polymerization processes is still important practically although it has been rather empirical. A prediction method for properties of polymers has been also demanded. In this study, we integrated our original computational chemistry simulators, e.g., classical molecular dynamics simulator with chemical reaction extension, thermal conductivity simulator, viscosity simulator, accelerated quantum chemical molecular dynamics simulator, and electrical conductivity simulator, in order to theoretically study the polymerization processes.

本文言語English
ページ2693-2694
ページ数2
出版ステータスPublished - 2006 12月 1
イベント55th Society of Polymer Science Japan Symposium on Macromolecules - Toyama, Japan
継続期間: 2006 9月 202006 9月 22

Other

Other55th Society of Polymer Science Japan Symposium on Macromolecules
国/地域Japan
CityToyama
Period06/9/2006/9/22

ASJC Scopus subject areas

  • 工学(全般)

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