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A comparative study of thermodynamic models to describe the VLE of the ternary electrolytic mixture H2O–NH3–CO2

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Published/Copyright: February 11, 2021
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Chemical Product and Process Modeling
From the journal Chemical Product and Process Modeling Volume 17 Issue 3

Abstract

This study aims to ascertain the influence of the activity coefficient model and equation of state for predicting the vapor–liquid equilibrium (VLE) of the multi-electrolytic system H2O–NH3–CO2. The non-idealities of the liquid phase are described by the eUNIQUAC and eNRTL models. The vapor phase is modeled with the Nakamura equation, which is compared with the ideal gas assumption. The models are validated with experimental data from literature on total pressure and ammonia partial pressure. Results show that the models UNIQUAC and NRTL without dissociation can only reproduce the experimental conditions in the absence of CO2. When the electrolytic term is considered, the eUNIQUAC model is able to reproduce the experimental data with greater accuracy than the eNRTL. The equation of state which describes the vapor phase plays no major role in the accuracy of the VLE prediction in the operational conditions evaluated here. Indeed, the accuracy relies on the activity coefficient, therefore the ideal gas equation can be considered if the non-idealities of the liquid phase are described by a well-tuned model. These findings could be useful for equipment design, flowsheet simulations and large-scale simultaneous optimization problems.

Keywords: electrolytic solution; eNRTL; eUNIQUAC; ideal gas; Nakamura equation
Corresponding author: Karen V. Pontes, Industrial Engineering Graduate Program/Federal University of Bahia. Rua Aristides Novis, no 02, Federação, Salvador, 40.210-630, BA, Brazil, E-mail:

Funding source: Coordenação de Aperfeiçoamento de Pessoal de Nível Superior – Brasil (CAPES)

Award Identifier / Grant number: 001

Acknowledgements

The authors further acknowledge Fundação de Amparo à Pesquisa do Estado da Bahia (FAPESB) and Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) for grants, fellowships and financial support.

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: This study was financed in part by the Coordenação de Aperfeiçoamento de Pessoal de Nível Superior – Brasil (CAPES) – Finance Code 001.

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Received: 2020-10-22
Accepted: 2021-01-25
Published Online: 2021-02-11

© 2021 Walter de Gruyter GmbH, Berlin/Boston

Articles in the same Issue

  1. Frontmatter
  2. Research Articles
  3. Viscosity prediction of hydrocarbon binary mixture using an artificial neural network-group contribution method
  4. Design of an environmentally friendly fuel based on a synthetic composite nano-catalyst through parameter estimation and process modeling
  5. Numerical study of coupled natural convection to surface radiation in an open cavity submitted to lateral or corner heating
  6. A comparative study of thermodynamic models to describe the VLE of the ternary electrolytic mixture H2O–NH3–CO2
  7. Murphree vapor efficiency prediction in SCC columns by computational fluid dynamics analysis
  8. Retrofitting recycled stripping gas in a glycol dehydration regeneration unit
https://doi.org/10.1515/cppm-2020-0101
Keywords for this article
electrolytic solution; eNRTL; eUNIQUAC; ideal gas; Nakamura equation

Articles in the same Issue

  1. Frontmatter
  2. Research Articles
  3. Viscosity prediction of hydrocarbon binary mixture using an artificial neural network-group contribution method
  4. Design of an environmentally friendly fuel based on a synthetic composite nano-catalyst through parameter estimation and process modeling
  5. Numerical study of coupled natural convection to surface radiation in an open cavity submitted to lateral or corner heating
  6. A comparative study of thermodynamic models to describe the VLE of the ternary electrolytic mixture H2O–NH3–CO2
  7. Murphree vapor efficiency prediction in SCC columns by computational fluid dynamics analysis
  8. Retrofitting recycled stripping gas in a glycol dehydration regeneration unit
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