摘要
This study on thermodynamic property of NH3-CO2-H2O system provided the basic data for ammonia carbonation. Simulations on vapor-liquid equili- brium （VLE） of ammonia carbonation with different physical properties were discussed in NH3-H20 and NH3-CO2-H2O systems, respectively. The results indicated that at low temperature （303.15 K363.15 K） and pressure （0.1-0.4MPa）, 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 K363.15 K, the prediction of product component using E-NRTLRK model for ammonia carbonation agreed well with the data reported in literature.
This study on thermodynamic property of NH3-CO2-H2O system provided the basic data for ammonia carbonation. Simulations on vapor-liquid equili- brium （VLE） of ammonia carbonation with different physical properties were discussed in NH3-H20 and NH3-CO2-H2O systems, respectively. The results indicated that at low temperature （303.15 K363.15 K） and pressure （0.1-0.4MPa）, 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 K363.15 K, the prediction of product component using E-NRTLRK model for ammonia carbonation agreed well with the data reported in literature.
