Interpretation and prediction of the vapor-liquid equilibrium of formaldehyde-water-methanol ternary system by the conductor-like screening model for real solvents
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- 作者：Huihong Liua ; b ; c ; 1 ; Liuhh2@cnooc.com.cn" class="auth_mail" title="E-mail the corresponding author ; Zhenmin Baia ; b ; 1 ; 1128bj@163.com" class="auth_mail" title="E-mail the corresponding author ; Yansheng Liua ; b ; wsuper@cup.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Xuqiang Guoa ; b ; guoxq@cup.edu.cn" class="auth_mail" title="E-mail the corresponding author ; Yu'e Fuc ; Xinyun Pua ; b
- 关键词：COSMO-RS ; Phase equilibrium ; Species distribution ; Formaldehyde&ndash ; water&ndash ; methanol mixture
- 刊名：Fluid Phase Equilibria
- 出版年：2016
- 出版时间：15 December 2016
- 年：2016
- 卷：429
- 期：Complete
- 页码：233-241
- 全文大小：2027 K
文摘
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COSMO-RS predicted the thermodynamic behavior of formaldehyde–water–methanol system.
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Vapor pressures of MG and HF were calculated using quantum chemistry method.
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Average relative deviation of species distribution no greater than 10% for HF1–3 and MG1–3 were predicted.
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The maximum value of partition coefficient for formaldehyde was discussed.