Molecular dynamics simulations of the hydration of poly(vinyl methyl ether):Hydrogen bonds and quasi

• 作 者: RongLiang Wu (1) Qing Ji (1)
• 机 构: 1.BeijingNationalLaboratoryforMolecularSciences（BNLMS）
• 出 处: 中国科学：化学英文版
• 发表日期: 2008年8期
• 关键词: poly(vinyl methyl ether)(PVME) molecular dynamics computer simulation hydrogen B
• 基金项目: Supported by the National Natural Science Foundation of China (Grant Nos. 20474073, 20490220, 20674090 and 90612015),National Major Basic Research Project (Grant No. G1999064800)

Atomistic detailed hydration structures of poly(vinyl methyl ether)(PVME) have been investigated by molecular dynamics simulations under 300 K at various concentrations. Both radial distribution functions and the distance distributions between donors and