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

doi:10.1007/s11705-013-1370-1

Front Chem Sci Eng

2013, Vol. 7

Issue (4) : 447-455 https://doi.org/10.1007/s11705-013-1370-1

RESEARCH ARTICLE

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.

Keywords vapor-liquid equilibrium activity coefficient carbon dioxide ammonia NRTL

Corresponding Author(s): SONG Xingfu,Email:xfsong@ecust.edu.cn

Issue Date: 05 December 2013

Cite this article:

Ze SUN,Jianguo YU,Jingcai ZHAO, et al. Simulation on thermodynamic state of ammonia carbonation at low temperature and low pressure[J]. Front Chem Sci Eng, 2013, 7(4): 447-455.

URL:

https://academic.hep.com.cn/fcse/EN/10.1007/s11705-013-1370-1
https://academic.hep.com.cn/fcse/EN/Y2013/V7/I4/447

Fig.1 NH-HO VLE data regression with different models

Tab.1 Regression result in NH-HO

Tab.2 PR equation parameters for NH-HO system

Tab.3 NH-CO-HO VLE regression by NRTL series models

Tab.4 NH-CO-HO VLE regression by E-NRTLRK

Tab.5 Binary interaction parameters of E-NRTLRK in the NH-CO-HO system

Tab.6 Parameters of electrolyte pairs (GMELCC)

Tab.7 Comparison of simulation result on ammonia carbonation product with experimental data []

Fig.2 Process conditions of (NH)CO production simulation

1	Wu Y, Wang Y F, Zeng Q H, Gong X, Yu Z H. Experimental study on capturing CO₂ greenhouse gas by mixture of ammonia and soil. Frontiers of Chemical Engineering in China , 2009, 3(4): 468–473 doi: 10.1007/s11705-009-0257-7
2	Marc S, Frank B, Thomas H. Evaluation of strategies for the subsequent use of CO₂. Frontiers of Chemical Engineering in China , 2010, 4(2): 172–183 doi: 10.1007/s11705-009-0236-z
3	Jiri P, Benjamin C, Lu Y. Vapor-liquid equilibriums in system ammonia-water at 14.69 and 65 psia. Journal of Chemical & Engineering Data , 1975, 20(2): 182–183 doi: 10.1021/je60065a005
4	Liang Q, Tong A Y, Su Y G. Isobaric vapor-liquid equilibrium for NH₃-CO₂-H₂O system. Gaoxiao Huaxue Gongcheng Xuebao , 1990, 4(3): 196–206 (in Chinese)
5	Badger E H M, Wilson D S. Vapour pressures of ammonia and carbon dioxide in equilibrium with aqueous solutions. Part VI. Journal of the Society of Chemical Industry , 1947, 66(3): 84–86 doi: 10.1002/jctb.5000660305
6	Otsuka E, Yoshimura S, Yakabe M, Inoue S. Equilibrium of the NH₃-CO₂-H₂O. Kogyo Ka gaku Zasshi , 1960, 62: 1214–1218
7	Alain V, Antonin C, Christophe C, Patrice P, Dominique R. Vapour-liquid equilibria in the carbon dioxide-water system, measurement and modeling from 278.2 to 318.2K. Fluid Phase Equilibria , 2004, 226(10): 333–344
8	Kaj T, Peter R. Modeling of vapor-liquid-solid equilibrium in gas-aqueous electrolyte systems. Chemical Engineering Science , 1999, 54(12): 1787–1802 doi: 10.1016/S0009-2509(99)00019-6
9	Gross J, Sadowski G. Perturbed-chain SAFT: An equation of state based on a perturbation theory for chain molecules. Industrial & Engineering Chemistry Research , 2001, 40(4): 1244–1260 doi: 10.1021/ie0003887
10	Gross J, Sadowski G. Application of the perturbed-chain SAFT equation of state to associating system. Industrial & Engineering Chemistry Research , 2002, 41(22): 5510–5515 doi: 10.1021/ie010954d
11	Saul M L, Mario G R T, Pieter J, van D. An empirical thermodynamic model for the ammonia-water-carbon dioxide system at urea synthesis conditions. Journal of Applied Chemistry and Biotechnology , 1973, 23(1): 63–76
12	Thorin E, Dejfors C, Svedberg G. Thermodynamic properties of ammonia-water mixtures for power cycles. International Journal of Thermophysics , 1998, 19(2): 501–510 doi: 10.1023/A:1022525813769
13	Zeng J J, Yang J M, Zhang W, Hao M L. HAO Z J, Lü J. Vapor-liquid equilibrium model for ammonia-water system. Chemical Industry and Engineering Process , 2010, 29: 87–90 (in Chinese)
14	Smolen T M, Manley D B, Poling B E. Vapor-liquid equilibrium data for the NH₃-H₂O systems and its description with a modified cubic equation of state. Journal of Chemical & Engineering Data , 1991, 36(2): 202–208 doi: 10.1021/je00002a017
15	HoSeok P.Young M J, Jong K Y, Won H H, Kim J N. Analysis of the CO₂ and NH₃ reaction in an aqueous solution by 2D IR COS: Formation of bicarbonate and carbonate. Journal of Physical Chemistry A , 2008, 112(29): 6558–6562 doi: 10.1021/jp800991d
16	Nichola M, Duong P, Wang X G, William C, Robert B, Moetaz A, Graeme P, Marcel M. Kinetics and mechanism of carbonate formation from CO₂ (aq), carbonate species, and monoethanolamine in aqueous solution. Journal of Physical Chemistry A , 2009, 113(17): 5022–5029 doi: 10.1021/jp810564z
17	Hsunling B, An C Y. Removal of CO₂ greenhouse gas by ammonia scrubbing. Industrial & Engineering Chemistry Research , 1997, 36(6): 2490–2493 doi: 10.1021/ie960748j
18	Alice H E, Andrew M D, Craig P S, Janel S U, David P, Richard J S. On the hydration and hydrolysis of carbon dioxide. Chemical Physics Letters , 2011, 514(4–6): 187–195 doi: 10.1016/j.cplett.2011.08.063
19	Zuo Y X, Guo T M. Description of vapor-liquid equilibrium for weak electrolyte NH₃-CO₂-H₂O system using a new equation of state. Journal of Chemical Industry and Engineering (China) , 1990, 41(2): 162–170 (in Chinese)
20	Jadwiga K. New approach to simplify the equation for the excess Gibbs free energy of aqueous solutions of electrolytes applied to the modeling of the NH₃-CO₂-H₂O vapour-liquid equilibria. Fluid Phase Equilibria , 1999, 163(2): 209–229 doi: 10.1016/S0378-3812(99)00225-3
21	Ghaemi A. shahhoseini S, Ghannadi M M, and Farrokhi M. Prediction of vapor- liquid for aqueous solution of electrolytes using artificial neural networks. Journal of Applied Sciences , 2008, 8(4): 615–621 doi: 10.3923/jas.2008.615.621
22	Bernardis M, Carvoli G, Delogu P. NH₃-CO₂-H₂O VLE calculations using an extended unique equation. AIChE Journal. American Institute of Chemical Engineers , 1989, 35(2): 314–317 doi: 10.1002/aic.690350217
23	Victor D, Willy J M W, Erling H S, Kaj T. Modeling of carbon dioxide absorption by aqueous solutions using the extended UNIQUAC model. Industrial & Engineering Chemistry Research , 2010, 49(24): 12663–12674 doi: 10.1021/ie1009519
24	Pazuki G R, Pahlevanzadeh H A, Mohseni A. Solubility of CO₂ in aqueous ammonia solution at low temperature. Fluid Phase Equilibria , 2006, 24(2): 57–64 doi: 10.1016/j.fluid.2006.01.002
25	Wei S A, Zhang H J. Calculation of H₂O-NH₃-CO₂ Vapor liquid equilibria at high concentration conditions. Chinese Journal of Chemical Engineering , 2004, 12(1): 134–136
26	Hanna K, Erik T H, Inna K, Tore H W, Hallvard F S. Vapor liquid equilibrium in the sodium carbonate sodium bicarbonate-water-CO₂ system. Chemical Engineering Science , 2010, 65(6): 2218–2226 doi: 10.1016/j.ces.2009.12.024
27	Zhang L Y. Chemical Engineering Process Simulation Using Aspen Plus. 1st ed. Beijing: Chemical Industry Press, 2012, 22 (in Chinese)
28	Que H L, Chen C C. Thermodynamic modeling of the NH₃-CO₂-H₂O system with electrolyte NRTL model. Industrial & Engineering Chemistry Research , 2011, 50(11): 11406–11421 doi: 10.1021/ie201276m
29	Chen C C, Song Y H. Generalized electrolyte-NRTL model for mixed-solvent electrolyte systems. AIChE Journal , 2004-8, 50 (8): 1928–1942
30	Jaretun G A, Aly G. New local composition model for electrolyte solution: Multicomponent, system. Fluid Phase Equilibria , 2000, 175(1–2): 213–228 doi: 10.1016/S0378-3812(00)00450-7
31	Tian Y L, Han M, Chen L, Feng J J. Qin Ying. Study on vapor-liquid phase equilibria for CO₂-C₂H₅OH system. Acta Physico-Chimica Sinica , 2001, 17(2): 155–160 (in Chinese)
32	Hsieh C M, Lin S T. Prediction of liquid-liquid equilibrium from the Peng-Robinson+COSMOSAC equation of state. Chemical Engineering Science , 2010, 65(6): 1955–1963 doi: 10.1016/j.ces.2009.11.036
33	Claudio A, Faúndez J O V. Low pressure vapor-liquid equilibrium in ethanol+congener mixtures using the Wong-Sandler mixing rule. Thermochimica Acta , 2009, 490(1–2): 37–42 doi: 10.1016/j.tca.2009.02.007
34	Rizvi S S H, Hdidemann R A. Vapor-liquid equilibria in the ammonia-water system. Journal of Chemical & Engineering Data , 1987, 32(2): 183–191 doi: 10.1021/je00048a017
35	Zhao Q, Wang S, Qin F, Chen C. Composition analysis of CO₂-NH₃-H₂O system based on Raman spectra. Industrial & Engineering Chemistry Research , 2011, 50(9): 5316–5325 doi: 10.1021/ie1010178
36	Guo J S. Phase diagram law guidance for bicarbonate production. Henan Chemical Engineering , 1987, 4: 33–37 (in Chinese)

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