Determination of ion-specific NRTL parameters for predicting phase equilibria in aqueous multielectrolyte solutions

Hidetoshi Kuramochi, Masahiro Osako, Akiko Kida, Kazuyuki Nishimura, Katsuya Kawamoto, Yusuke Asakuma, Keisuke Fukui, Kouji Maeda

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

To develop an activity coefficient model for aqueous multielectrolyte systems, ion-specific NRTL parameters were applied to the electrolyte-NRTL model. In total, 132 ion-specific NRTL parameters for 21 ionic species (K +, Na+, Mg2+, H+, Ca2+, Zn2+, Al3+, NH4+, Cd2+, Co 2+, Cu2+, Pb2+, Mn2+, Ni 2+, Cr3+, Cl-, SO42-, NO3-, OH-, ClO4-, CrO42-)were determined from the binary activity coefficient data of aqueous electrolytes and used to predict the activity coefficients of electrolytes in aqueous multieletrolyte solutions without any additional parameters. Furthermore, solubilities of inorganic salts including heavy metals in aqueous mixed electrolyte systems and the distribution ratio of Cu in a solvent extraction process containing HCl and CuCl2 were predicted 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 phase equilibria of systems involving inorganic salts such that this model can be used in the design of recovery processes such as crystallization and solvent extraction.

Original languageEnglish
Pages (from-to)3289-3297
Number of pages9
JournalIndustrial and Engineering Chemistry Research
Volume44
Issue number9
DOIs
Publication statusPublished - Apr 27 2005
Externally publishedYes

Fingerprint

phase equilibrium
Phase equilibria
activity coefficient
electrolyte
Electrolytes
Activity coefficients
aqueous solution
Ions
ion
inorganic salt
Solvent extraction
Salts
Heavy Metals
Crystallization
Heavy metals
solubility
crystallization
Solubility
parameter
heavy metal

ASJC Scopus subject areas

  • Chemical Engineering (miscellaneous)
  • Environmental Science(all)
  • Polymers and Plastics

Cite this

Determination of ion-specific NRTL parameters for predicting phase equilibria in aqueous multielectrolyte solutions. / Kuramochi, Hidetoshi; Osako, Masahiro; Kida, Akiko; Nishimura, Kazuyuki; Kawamoto, Katsuya; Asakuma, Yusuke; Fukui, Keisuke; Maeda, Kouji.

In: Industrial and Engineering Chemistry Research, Vol. 44, No. 9, 27.04.2005, p. 3289-3297.

Research output: Contribution to journalArticle

Kuramochi, Hidetoshi ; Osako, Masahiro ; Kida, Akiko ; Nishimura, Kazuyuki ; Kawamoto, Katsuya ; Asakuma, Yusuke ; Fukui, Keisuke ; Maeda, Kouji. / Determination of ion-specific NRTL parameters for predicting phase equilibria in aqueous multielectrolyte solutions. In: Industrial and Engineering Chemistry Research. 2005 ; Vol. 44, No. 9. pp. 3289-3297.
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