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5. Hydrogen bonding of single acetic acid with water molecules in dilute aqueous solutions

Hydrogen bonding of single acetic acid with water molecules in dilute aqueous solutions

来源 :中国科学：化学英文版 | 被引量 : 0次 | 上传用户：fangtietie

【摘 要】

：

In separation processes,hydrogen bonding has a very significant effect on the efficiency of isolation of acetic acid (HOAc) from HOAc/H2O mixtures. This intermo

【作 者】

：

Liang Pu (1) (2)  YueMing Sun 

【机 构】

：

1.SchoolofChemistryandChemicalEngineering,2.SeparationEngineeringResearchCenterofNanjingUniversity

【出 处】

：

中国科学：化学英文版

【发表日期】

：

2009年12期

【关键词】

：

acetic acid hydrogen BOND ab INITIO molecular dynamics free energy acetic acid h 

【基金项目】

：

Supported by the Jiangsu Planned Projects for Postdoctoral Research Funds (No. 0901001C),the National Natural Science Foundation of China (Grant No. 20876072),the Natural Science Foundation of Jiangsu

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In separation processes,hydrogen bonding has a very significant effect on the efficiency of isolation of acetic acid (HOAc) from HOAc/H2O mixtures. This intermolecular interaction on aggregates composed of a single HOAc molecule and varying numbers of H2O

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