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Frontiers of Chemical Science and Engineering

ISSN 2095-0179

ISSN 2095-0187(Online)

CN 11-5981/TQ

邮发代号 80-969

2019 Impact Factor: 3.552

Frontiers of Chemical Science and Engineering  2013, Vol. 7 Issue (4): 447-455   https://doi.org/10.1007/s11705-013-1370-1
  RESEARCH ARTICLE 本期目录
Simulation on thermodynamic state of ammonia carbonation at low temperature and low pressure
Simulation on thermodynamic state of ammonia carbonation at low temperature and low pressure
Jingcai ZHAO, Xingfu SONG(), Ze SUN, Jianguo YU
National Engineering Research Center for Integrated Utilization of Salt Lake Resource, East China University of Science and Technology, Shanghai 200237, China
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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 wordsvapor-liquid equilibrium    activity coefficient    carbon dioxide    ammonia    NRTL
收稿日期: 2013-03-05      出版日期: 2013-12-05
Corresponding Author(s): SONG Xingfu,Email:xfsong@ecust.edu.cn   
 引用本文:   
. Simulation on thermodynamic state of ammonia carbonation at low temperature and low pressure[J]. Frontiers of Chemical Science and Engineering, 2013, 7(4): 447-455.
Jingcai ZHAO, Xingfu SONG, Ze SUN, Jianguo YU. Simulation on thermodynamic state of ammonia carbonation at low temperature and low pressure. Front Chem Sci Eng, 2013, 7(4): 447-455.
 链接本文:  
https://academic.hep.com.cn/fcse/CN/10.1007/s11705-013-1370-1
https://academic.hep.com.cn/fcse/CN/Y2013/V7/I4/447
Fig.1  
Model305 K340 K382 K
RSSlRSSvSRSSlRSSvSRSSlRSSvS
LKP0.002490.03410.06710.004070.1670.6030.0009960.05982.045
PR0.001030.003920.01440.0007260.0460.1734.179E-050.009690.722
RKS0.001770.03400.06260.01730.07660.8560.0009860.08773.015
PSRK0.001300.008510.02570.0004380.1060.3900.0001890.06572.632
SRK0.001770.03260.06050.01710.07500.8220.0009380.08232.882
Literature------0.02270.17115.526
Tab.1  
ParametersRKSKIJ H2ORKSKIJ NH3PRKIJ H2OPRKIJ NH3
RKSKIJ H2O1-0.2791-0.251
RKSKIJ NH3-0.2790-0.2510
Tab.2  
MethodNH3CO2H2O
error (l) /%error (v) /%error (l) /%error (v) / %error (l) /%error (v) /%
NRTL0.920.580.318.900.517.48
NRTL-RK0.920.610.308.900.527.33
E-NRTL0.920.610.308.890.527.33
E-NRTLRK0.790.720.3611.010.4211.49
Liter0.84a1.03a
Tab.3  
T/KP/MPaNH3(l)CO2(l)H2O(l)NH3(v)CO2(v)H2O(v)
exp.cal.exp.cal.exp.cal.exp.cal.exp.cal.exp.cal.
303.150.1010.3000.3030.2000.2000.5000.4980.9750.9720.0010.0010.0240.027
303.150.1960.3750.3780.2000.2000.4250.4220.9900.9900.0000.0000.0100.010
313.150.1010.2650.2570.2000.2030.5350.5400.9400.9330.0100.0060.0500.061
313.150.1010.2750.2720.2500.2520.4750.4760.9400.9330.0110.0080.0490.059
313.150.1960.3280.3300.2000.1990.4720.4710.9750.9780.0010.0010.0240.021
313.150.1960.3350.3390.2500.2490.4150.4120.9760.9780.0020.0020.0230.020
323.150.290.3420.3390.2500.2510.4080.4100.9720.9720.0050.0040.0230.023
323.150.290.3550.3540.3000.3000.3450.3450.9740.9740.0060.0060.0200.020
323.150.390.3760.3730.2000.2000.4240.4270.9830.9830.0020.0020.0160.015
323.150.390.3780.3820.2500.2490.3720.3690.9830.9840.0020.0020.0150.014
333.150.290.3050.3050.2500.2500.4450.4450.9470.9450.0160.0160.0370.039
333.150.290.3200.3230.3000.2990.3800.3780.9500.9470.0180.0200.0320.033
333.150.390.3400.3400.2500.2500.4100.4100.9650.9660.0090.0090.0260.025
333.150.390.3500.3560.3000.2980.3500.3470.9670.9660.0100.0120.0230.022
343.150.290.2930.2910.3000.3020.4070.4070.8520.8590.1020.0870.0460.054
343.150.290.3130.3090.3500.3530.3370.3380.8320.8470.1270.1100.0410.042
343.150.390.3180.3200.3000.2990.3820.3810.9120.9120.0500.0520.0380.036
343.150.390.3400.3400.3500.3480.3100.3120.9090.9110.0560.0610.0350.027
353.150.290.2320.2360.2500.2490.5180.5150.6920.6540.2280.2400.0800.106
353.150.290.2460.2470.3000.3000.4540.4530.5800.5630.3560.3490.0640.088
353.150.390.2720.2710.2500.2500.4780.4780.8100.8120.1250.1220.0650.066
353.150.390.2900.2890.3000.3000.4100.4120.7800.7810.1620.1670.0580.053
363.150.390.2200.2200.2000.2000.5800.5800.6500.6420.2450.2390.1050.119
363.150.390.2300.2290.2500.2500.5200.5210.5300.5230.3850.3770.0850.100
Tab.4  
Component iNH3NH3CO2H2OH2OH2OH2O
Component jCO2H2OH2ONH4+NH2COO-HCO3-CO32-
Temperature units°C°C°C°C°C°C°C
AIJ33.21611.480-15.7200000
AJI22.393-11.73937.70140000
BIJ-14913.300-4198.1404945.8920000
BJI-6475.1704354.897-11840.1000000
CIJ0.20.20.20.30.30.30.3
Tab.5  
Molecule i or Electrolyte iMolecule j or Electrolyte jValue
H2OH3O+NH2COO-8.045
H2OH3O+OH-8.045
H2OHCO3-8.045
H2OCO32-8.045
H2ONH4+NH2COO-4.669
H2ONH4+OH-8.045
H2ONH4+HCO3-4.654
H2ONH4+CO32-8.045
H3O+NH2COO-H2O-4.072
H3O+OH-H2O-4.072
H3O+HCO3-H2O-4.072
H3O+CO32-H2O-4.072
NH4+NH2COO-H2O-2.929
NH4+OH-H2O-4.072
NH4+HCO3-H2O-1.761
NH4+CO32-H2O-4.072
NH3NH4+NH2COO-10
NH4+NH2COO-NH3-2
NH3NH4+HCO3-10
NH4+HCO3-NH3-2
CO2H3O+OH-15
H3O+OH-CO2-8
CO2H3O+HCO3-15
H3O+HCO3-CO2-8
CO2H3O+CO32-15
H3O+CO32-CO2-8
Tab.6  
CNH3 /mol-1CCO32- /mol-1 (cal.)CCO32-/mol-1 (exp.)Average relative deviation
1.310.10.10.015
1.990.150.15
2.70.210.21
3.430.260.26
4.180.310.32
4.980.360.38
Tab.7  
Fig.2  
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