Molecular dynamics study of 2,2′-difurylmethane and n-propanol binary mixture

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• 作者：Otsile William Kgagodi ; ^{otsile.kgagodi@studentmail.biust.ac.bw} ; Foster Mbaiwa
• 关键词：Molecular dynamics simulation ; n-Propanol ; 2 ; 2&prime ; -difurylmethane ; Binary mixture ; Excess molar volume ; Radial distribution function
• 刊名：Journal of Molecular Liquids
• 出版年：2017
• 出版时间：February 2017
• 年：2017
• 卷：227
• 期：Complete
• 页码：366-372
• 全文大小：773 K
• 卷排序：227

文摘

Investigation of thermodynamic properties and the structural aspects of [DFM/n-propanol] binary mixture The calculated results are in agreement with qualitative experimental excess molar volumes data. Evidence of hydrogen bonding between acidic n-propanol hydrogen and one of 2,2′-difurylmethane oxygen atom