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

• Published in: Frontiers of chemical science and engineering 2013-12, Vol.7 (4), p.447-455
• Main Authors: Zhao, Jingcai, Song, Xingfu, Sun, Ze, Yu, Jianguo
• Format: Article
• Language: English
• Subjects: Chemistry; Chemistry and Materials Science; Industrial Chemistry/Chemical Engineering; Nanotechnology; Research Article
• ISSN: 2095-0179; 2095-0187
• DOI: 10.1007/s11705-013-1370-1

This study on thermodynamic property of NH 3 -CO 2 -H 2 O system provided the basic data for ammonia carbonation. Simulations on vapor-liquid equilibrium (VLE) of ammonia carbonation with different physical properties were discussed in NH 3 -H 2 O and NH 3 -CO 2 -H 2 O 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 NH 3 -H 2 O system. NRTL (Non-Random-Two-Liquid) series models were selected for NH 3 -CO 2 -H 2 O mixed electrolyte solution system. VLE data regression results showed that NRTL series models were suitable for describing thermodynamic properties of NH 3 -CO 2 -H 2 O 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 NH 3 -CO 2 -H 2 O 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.