Simulation on thermodynamic state of ammonia carbonation at low temperature and low pressure

Abstract

This study on thermodynamic property of NH₃-CO₂-H₂O system provided the basic data for ammonia carbonation. Simulations on vapor-liquid equilibrium (VLE) of ammonia carbonation with different physical properties were discussed in NH₃-H₂O and NH₃-CO₂-H₂O systems, respectively. The results indicated that at low temperature (303.15 K–363.15 K) and pressure (0.1–0.4 MPa), the PR (Peng-Robinson) equation was suitable for the description of the thermodynamic state in NH₃-H₂O system. NRTL (Non-Random-Two-Liquid) series models were selected for NH₃-CO₂-H₂O mixed electrolyte solution system. VLE data regression results showed that NRTL series models were suitable for describing thermodynamic properties of NH₃-CO₂-H₂O system, because average relative error fitting with each model was about 1%. As an asymmetric electrolytes model in NRTL model, E–NRTLRK (Electrolyte NRTL Redlich Kwong) could most accurately fit VLE data of NH₃-CO₂-H₂O system, with fitting error less than 1%. In the extent temperature range of 273.15 K–363.15 K, the prediction of product component using E-NRTLRK model for ammonia carbonation agreed well with the data reported in literature.

Key words： vapor-liquid equilibrium; activity coefficient; carbon dioxide; ammonia; NRTL

Acknowledgements

The authors greatly thank the National High Technology Research and Development Program of China (No. 2011AA062315) for financial support.

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