Excess properties of non-ideal binary mixtures containing water, methanol and ethanol by molecular simulation
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- 作者：Svetlana Miroshnichenko ; Jadran Vrabec ; jadran.vrabec@upb.de" class="auth_mail" title="E-mail the corresponding author
- 关键词：Molecular modeling and simulation ; Excess properties ; Excess volume ; Excess enthalpy ; Water ; Methanol ; Ethanol
- 刊名：Journal of Molecular Liquids
- 出版年：2015
- 出版时间：December 2015
- 年：2015
- 卷：212
- 期：Complete
- 页码：90-95
- 全文大小：381 K
文摘
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Excess volume and excess enthalpy are obtained by Monte Carlo simulation for seven liquid binary mixtures
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A S-shaped composition dependence of excess properties of mixtures containing water, methanol or ethanol is predicted
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The excess properties are highly sensitive on the unlike intermolecular interactions