### Abstract

A new model is proposed for the calculation of activity coefficients. The proposed model is based on the quasi-chemical theory. The surface area parameters in the model depend on partner molecules and concentrations. The surface area parameters for pure components are cited from the surface area parameters of UNIQUAC model. The number of fitting parameters are three for each binary system in the model. These are q21∞ (surface area parameter of component 1 in component 2 at infinite dilution), q12∞ (surface area parameter of component 2 in component 1 at infinite dilution), and τ_{12} (interaction parameter) for component (1)+component (2) binary system. The activity coefficients of multi-component systems can be calculated with the binary parameters of constituting binary systems. The calculated results by the model are in good agreement with the experimental data of vapor-liquid and liquid-liquid equilibria for binary systems. The ternary liquid-liquid equilibria are calculated by using the binary parameters of constituting binary systems. The calculated results by the model are much better than those by NRTL and UNIQUAC models.

Original language | English |
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Pages (from-to) | 165-173 |

Number of pages | 9 |

Journal | Fluid Phase Equilibria |

Volume | 337 |

DOIs | |

Publication status | Published - Jan 1 2013 |

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### All Science Journal Classification (ASJC) codes

- Chemical Engineering(all)
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry

### Cite this

*Fluid Phase Equilibria*,

*337*, 165-173. https://doi.org/10.1016/j.fluid.2012.09.021

**Concentration dependent surface area parameter model for calculation of activity coefficients.** / Iwai, Yoshio; Yamamoto, Yuta.

Research output: Contribution to journal › Article

*Fluid Phase Equilibria*, vol. 337, pp. 165-173. https://doi.org/10.1016/j.fluid.2012.09.021

}

TY - JOUR

T1 - Concentration dependent surface area parameter model for calculation of activity coefficients

AU - Iwai, Yoshio

AU - Yamamoto, Yuta

PY - 2013/1/1

Y1 - 2013/1/1

N2 - A new model is proposed for the calculation of activity coefficients. The proposed model is based on the quasi-chemical theory. The surface area parameters in the model depend on partner molecules and concentrations. The surface area parameters for pure components are cited from the surface area parameters of UNIQUAC model. The number of fitting parameters are three for each binary system in the model. These are q21∞ (surface area parameter of component 1 in component 2 at infinite dilution), q12∞ (surface area parameter of component 2 in component 1 at infinite dilution), and τ12 (interaction parameter) for component (1)+component (2) binary system. The activity coefficients of multi-component systems can be calculated with the binary parameters of constituting binary systems. The calculated results by the model are in good agreement with the experimental data of vapor-liquid and liquid-liquid equilibria for binary systems. The ternary liquid-liquid equilibria are calculated by using the binary parameters of constituting binary systems. The calculated results by the model are much better than those by NRTL and UNIQUAC models.

AB - A new model is proposed for the calculation of activity coefficients. The proposed model is based on the quasi-chemical theory. The surface area parameters in the model depend on partner molecules and concentrations. The surface area parameters for pure components are cited from the surface area parameters of UNIQUAC model. The number of fitting parameters are three for each binary system in the model. These are q21∞ (surface area parameter of component 1 in component 2 at infinite dilution), q12∞ (surface area parameter of component 2 in component 1 at infinite dilution), and τ12 (interaction parameter) for component (1)+component (2) binary system. The activity coefficients of multi-component systems can be calculated with the binary parameters of constituting binary systems. The calculated results by the model are in good agreement with the experimental data of vapor-liquid and liquid-liquid equilibria for binary systems. The ternary liquid-liquid equilibria are calculated by using the binary parameters of constituting binary systems. The calculated results by the model are much better than those by NRTL and UNIQUAC models.

UR - http://www.scopus.com/inward/record.url?scp=84868705472&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84868705472&partnerID=8YFLogxK

U2 - 10.1016/j.fluid.2012.09.021

DO - 10.1016/j.fluid.2012.09.021

M3 - Article

AN - SCOPUS:84868705472

VL - 337

SP - 165

EP - 173

JO - Fluid Phase Equilibria

JF - Fluid Phase Equilibria

SN - 0378-3812

ER -