Determination of Ion-Specific NRTL Parameters for Predicting Phase Equilibria in Aqueous Multielectrolyte Solutions

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• 作者：Hidetoshi Kuramochi ; Masahiro Osako ; Akiko Kida ; Kazuyuki Nishimura ; Katsuya Kawamoto ; Yusuke Asakuma ; Keisuke Fukui ; and Kouji Maeda
• 刊名：Industrial & Engineering Chemistry Research
• 出版年：2005
• 出版时间：April 27, 2005
• 年：2005
• 卷：44
• 期：9
• 页码：3289 - 3297
• 全文大小：220K
• 年卷期：v.44,no.9(April 27, 2005)
• ISSN：1520-5045

文摘

To develop an activity coefficient model for aqueous multielectrolyte systems, ion-specific NRTLparameters were applied to the electrolyte-NRTL model. In total, 132 ion-specific NRTLparameters for 21 ionic species (K⁺, Na⁺, Mg²⁺, H⁺, Ca²⁺, Zn²⁺, Al³⁺, NH₄⁺, Cd²⁺, Co²⁺, Cu²⁺,Pb²⁺, Mn²⁺, Ni²⁺, Cr³⁺, Cl^-, SO₄^2-, NO₃^-, OH^-, ClO₄^-, CrO₄^2-) were determined from the binaryactivity coefficient data of aqueous electrolytes and used to predict the activity coefficients ofelectrolytes in aqueous multieletrolyte solutions without any additional parameters. Furthermore,solubilities of inorganic salts including heavy metals in aqueous mixed electrolyte systems andthe distribution ratio of Cu in a solvent extraction process containing HCl and CuCl₂ werepredicted using the activity coefficients derived from our ion-specific electrolyte-NRTL model.The results showed that the NRTL parameters obtained in this study accurately predict phaseequilibria of systems involving inorganic salts such that this model can be used in the design ofrecovery processes such as crystallization and solvent extraction.