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个人信息Personal Information
教授
博士生导师
硕士生导师
性别：男
毕业院校：大连理工大学
学位：博士
所在单位：能源与动力学院
学科：能源与环境工程
办公地点：能动大楼810
联系方式：songyc@dlut.edu.cn
电子邮箱：songyc@dlut.edu.cn
Formation of water and glucose clusters by hydrogen bonds in glucose aqueous solutions
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论文类型：期刊论文
发表时间：2012-03-15
发表刊物：COMPUTATIONAL AND THEORETICAL CHEMISTRY
收录刊物：SCIE
卷号：984
页面范围：85-92
ISSN号：2210-271X
关键字：Glucose; Hydrogen bond; Molecular dynamics simulation; Cluster
摘要：Glucose aqueous solutions with different concentrations have been studied using molecular dynamics simulation methods to analyze hydrogen bond clusters. Density profiles analysis revealed that there is local clustering of glucose and water molecules in the higher concentration systems. Hydrogen bonds analysis found that as glucose concentration increases, the glucose-water and glucose-glucose hydrogen bond interactions increase. Percolation analysis showed that the percolation threshold for water clusters is around 0.151. The percolation threshold for glucose clusters has also been discussed. (C) 2012 Elsevier B.V. All rights reserved.