### Abstract

This is the first of two papers in which critical point calculations in binary systems were performed utilizing cubic equations of state (EOS) combined with excess energy models using the Wong-Sandler mixing rule. In this paper, the van der Waals equation of state is combined with the NRTL model in order to investigate the influence of the model parameters on the shapes of the calculated critical phase diagrams. Due to the large number of parameters in the model, it is not possible to obtain a two-dimensional global phase diagram, however the results indicate that many different types of critical phase diagrams can be obtained from the model. Due to comparatively simple functional form of the van der Waals EOS, no attempt was made to compare the calculated critical phase diagrams with experimental data. Such a comparison is made on the second paper of this series, in which the Peng Robinson EOS is combined with the NRTL model and the resulting model is used in the computation of the critical loci of several real systems.

Original language | English |
---|---|

Pages (from-to) | 3393-3399 |

Number of pages | 7 |

Journal | Chemical Engineering Science |

Volume | 52 |

Issue number | 19 |

DOIs | |

Publication status | Published - Oct 1997 |

Externally published | Yes |

### Fingerprint

### Keywords

- Critical phenomena
- Equations of state
- Excess free energy
- Local composition
- Mixing rules
- Phase diagrams

### ASJC Scopus subject areas

- Chemical Engineering(all)

### Cite this

*Chemical Engineering Science*,

*52*(19), 3393-3399. https://doi.org/10.1016/S0009-2509(97)00142-5

**Critical points with the Wong-Sandler mixing rule-I. Calculations with the Van der Waals equation of state.** / Castier, Marcelo; Sandler, Stanley I.

Research output: Contribution to journal › Article

*Chemical Engineering Science*, vol. 52, no. 19, pp. 3393-3399. https://doi.org/10.1016/S0009-2509(97)00142-5

}

TY - JOUR

T1 - Critical points with the Wong-Sandler mixing rule-I. Calculations with the Van der Waals equation of state

AU - Castier, Marcelo

AU - Sandler, Stanley I.

PY - 1997/10

Y1 - 1997/10

N2 - This is the first of two papers in which critical point calculations in binary systems were performed utilizing cubic equations of state (EOS) combined with excess energy models using the Wong-Sandler mixing rule. In this paper, the van der Waals equation of state is combined with the NRTL model in order to investigate the influence of the model parameters on the shapes of the calculated critical phase diagrams. Due to the large number of parameters in the model, it is not possible to obtain a two-dimensional global phase diagram, however the results indicate that many different types of critical phase diagrams can be obtained from the model. Due to comparatively simple functional form of the van der Waals EOS, no attempt was made to compare the calculated critical phase diagrams with experimental data. Such a comparison is made on the second paper of this series, in which the Peng Robinson EOS is combined with the NRTL model and the resulting model is used in the computation of the critical loci of several real systems.

AB - This is the first of two papers in which critical point calculations in binary systems were performed utilizing cubic equations of state (EOS) combined with excess energy models using the Wong-Sandler mixing rule. In this paper, the van der Waals equation of state is combined with the NRTL model in order to investigate the influence of the model parameters on the shapes of the calculated critical phase diagrams. Due to the large number of parameters in the model, it is not possible to obtain a two-dimensional global phase diagram, however the results indicate that many different types of critical phase diagrams can be obtained from the model. Due to comparatively simple functional form of the van der Waals EOS, no attempt was made to compare the calculated critical phase diagrams with experimental data. Such a comparison is made on the second paper of this series, in which the Peng Robinson EOS is combined with the NRTL model and the resulting model is used in the computation of the critical loci of several real systems.

KW - Critical phenomena

KW - Equations of state

KW - Excess free energy

KW - Local composition

KW - Mixing rules

KW - Phase diagrams

UR - http://www.scopus.com/inward/record.url?scp=0031260345&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0031260345&partnerID=8YFLogxK

U2 - 10.1016/S0009-2509(97)00142-5

DO - 10.1016/S0009-2509(97)00142-5

M3 - Article

VL - 52

SP - 3393

EP - 3399

JO - Chemical Engineering Science

JF - Chemical Engineering Science

SN - 0009-2509

IS - 19

ER -