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Journal articles on the topic 'Electrolyte-NRTL model'

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Published: 4 June 2021
Last updated: 1 February 2022

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1

Chen, Chau-Chyun, and Yuhua Song. "Generalized electrolyte-NRTL model for mixed-solvent electrolyte systems." AIChE Journal 50, no. 8 (2004): 1928–41. http://dx.doi.org/10.1002/aic.10151.

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2

Hossain, Nazir, Sanjoy K. Bhattacharia, and Chau-Chyun Chen. "Temperature dependence of interaction parameters in electrolyte NRTL model." AIChE Journal 62, no. 4 (2015): 1244–53. http://dx.doi.org/10.1002/aic.15080.

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3

Lin, Yu-Jeng, Nazir Hossain, and Chau-Chyun Chen. "Modeling dissociation of ionic liquids with electrolyte NRTL model." Journal of Molecular Liquids 329 (May 2021): 115524. http://dx.doi.org/10.1016/j.molliq.2021.115524.

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4

Yansen Hartanto, Tri Partono Adhi, and Antonius Indarto. "EVALUASI KESETIMBANGAN KELARUTAN GAS KARBON DIOKSIDA (CO2) DALAM PELARUT ALKANOLAMINA MENGGUNAKAN SIMULATOR PROSES." Jurnal Teknik Kimia USU 4, no. 4 (2015): 1–7. http://dx.doi.org/10.32734/jtk.v4i4.1506.

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Acid gas removal to remove carbon dioxide (CO2) in natural gas is one of the most important processes. The common removal process of CO2 from natural gas by using alkanolamine solution This process was adopted as basic module in commercial process simulation tools with various equilibrium models. Thus, this study was focused to evaluate the validity in certain operating condition and equilibrium model that produced by commercial simulation tools. The model in this study included coefficient activity model based on Kent-Eisenberg, Li-Mather, and Electrolyte Non Random Two Liquid (NRTL). The evaluation was conducted by doing analysis from simulation result and experiment data that have been used as reference. Furthermore, validation test in absorption process simulation was done to compare column temperature profile. The overall conclusions show that electrolyte NRTL gives the most accurate result.
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5

Bollas, G. M., C. C. Chen, and P. I. Barton. "Refined electrolyte-NRTL model: Activity coefficient expressions for application to multi-electrolyte systems." AIChE Journal 54, no. 6 (2008): 1608–24. http://dx.doi.org/10.1002/aic.11485.

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6

Chen, Chau-Chyun. "Representation of solid-liquid equilibrium of aqueous electrolyte systems with the electrolyte NRTL model." Fluid Phase Equilibria 27 (January 1986): 457–74. http://dx.doi.org/10.1016/0378-3812(86)87066-2.

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7

Chen, Chau-Chyun, Paul M. Mathias, and Hasan Orbey. "Use of hydration and dissociation chemistries with the electrolyte–NRTL model." AIChE Journal 45, no. 7 (1999): 1576–86. http://dx.doi.org/10.1002/aic.690450719.

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8

Sadeghi, Rahmat. "Modification of the NRTL and Wilson models for the representation of phase equilibrium behavior of aqueous amino acid – electrolyte solutions." Canadian Journal of Chemistry 86, no. 12 (2008): 1126–37. http://dx.doi.org/10.1139/v08-166.

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The extended NRTL and Wilson local composition models for amino acid solutions have been modified for the representation of the phase equilibrium behavior of aqueous amino acid – electrolyte solutions by considering cells with random composition for the reference Gibbs energies or enthalpies of local composition cells with a central amino acid molecule and also with a central ion. These new local composition models, which have a molecular thermodynamic framework, have been used to model the vapor–liquid and solid–liquid equilibrium behavior of amino acids and small peptides in aqueous solutions as functions of temperature, ionic strength, and amino acid compositions. The utility of the models is demonstrated with a successful representation of the activity coefficients and the solubility of several amino acids in different aqueous solutions.Key words: amino acid, NRTL, Wilson, activity coefficient, solubility, aqueous solution.
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9

Zhang, Ying, and Chau-Chyun Chen. "Thermodynamic Modeling for CO2Absorption in Aqueous MDEA Solution with Electrolyte NRTL Model." Industrial & Engineering Chemistry Research 50, no. 1 (2011): 163–75. http://dx.doi.org/10.1021/ie1006855.

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10

Que, Huiling, and Chau-Chyun Chen. "Thermodynamic Modeling of the NH3–CO2–H2O System with Electrolyte NRTL Model." Industrial & Engineering Chemistry Research 50, no. 19 (2011): 11406–21. http://dx.doi.org/10.1021/ie201276m.

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11

Saravi, Sina Hassanjani, Soraya Honarparvar, and Chau-Chyun Chen. "Thermodynamic modeling of HCl-H2O binary system with symmetric electrolyte NRTL model." Journal of Chemical Thermodynamics 125 (October 2018): 159–71. http://dx.doi.org/10.1016/j.jct.2018.05.024.

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12

Yan, Yizhuan, and Chau-Chyun Chen. "Thermodynamic representation of the NaCl+Na2SO4+H2O system with electrolyte NRTL model." Fluid Phase Equilibria 306, no. 2 (2011): 149–61. http://dx.doi.org/10.1016/j.fluid.2011.03.023.

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13

Abovsky, V., Y. Liu, and S. Watanasiri. "Representation of nonideality in concentrated electrolyte solutions using the Electrolyte NRTL model with concentration-dependent parameters." Fluid Phase Equilibria 150-151 (September 1998): 277–86. http://dx.doi.org/10.1016/s0378-3812(98)00327-6.

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14

Liu, Yunda, and Suphat Watanasiri. "Representation of liquid-liquid equilibrium of mixed-solvent electrolyte systems using the extended electrolyte NRTL model." Fluid Phase Equilibria 116, no. 1-2 (1996): 193–200. http://dx.doi.org/10.1016/0378-3812(95)02887-0.

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15

Wang, Meng, Harnoor Kaur, and Chau-Chyun Chen. "Thermodynamic modeling of HNO3-H2SO4-H2O ternary system with symmetric electrolyte NRTL model." AIChE Journal 63, no. 7 (2017): 3110–17. http://dx.doi.org/10.1002/aic.15679.

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16

Papaiconomou, N., J. P. Simonin, O. Bernard, and W. Kunz. "MSA-NRTL model for the description of the thermodynamic properties of electrolyte solutions." Physical Chemistry Chemical Physics 4, no. 18 (2002): 4435–43. http://dx.doi.org/10.1039/b204841h.

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17

Huang, Jicai, Maoqiong Gong, Xueqiang Dong, Xiaodong Li, and Jianfeng Wu. "CO2 solubility in aqueous solutions of N-methyldiethanolamine+piperazine by electrolyte NRTL model." Science China Chemistry 59, no. 3 (2015): 360–69. http://dx.doi.org/10.1007/s11426-015-5508-5.

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18

Haghtalab, Ali, Abolfazl Shojaeian, and Seyed Hossein Mazloumi. "Nonelectrolyte NRTL-NRF model to study thermodynamics of strong and weak electrolyte solutions." Journal of Chemical Thermodynamics 43, no. 3 (2011): 354–63. http://dx.doi.org/10.1016/j.jct.2010.10.004.

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19

Zhang, Ying, Huiling Que, and Chau-Chyun Chen. "Thermodynamic modeling for CO2 absorption in aqueous MEA solution with electrolyte NRTL model." Fluid Phase Equilibria 311 (December 2011): 67–75. http://dx.doi.org/10.1016/j.fluid.2011.08.025.

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20

Razavi, Seyed Mohammad. "A new NRTL-based local composition model for thermodynamic modeling of electrolyte solutions." Journal of Chemical Thermodynamics 161 (October 2021): 106534. http://dx.doi.org/10.1016/j.jct.2021.106534.

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21

Bhattacharia, Sanjoy K., and Chau-Chyun Chen. "Thermodynamic modeling of KCl+H2O and KCl+NaCl+H2O systems using electrolyte NRTL model." Fluid Phase Equilibria 387 (February 2015): 169–77. http://dx.doi.org/10.1016/j.fluid.2014.12.014.

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22

Wang, Meng, Maximilian B. Gorensek, and Chau-Chyun Chen. "Thermodynamic representation of aqueous sodium nitrate and nitric acid solution with electrolyte NRTL model." Fluid Phase Equilibria 407 (January 2016): 105–16. http://dx.doi.org/10.1016/j.fluid.2015.04.015.

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23

Kaur, Harnoor, and Chau-Chyun Chen. "Thermodynamic modeling of CO2 absorption in aqueous potassium carbonate solution with electrolyte NRTL model." Fluid Phase Equilibria 505 (February 2020): 112339. http://dx.doi.org/10.1016/j.fluid.2019.112339.

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24

MUZZIO, C. R., and E. O. TIMMERMANN. "EFFECT OF ELECTROLYTES ON THE TEMPERATURE PROFILE OF SALINE EXTRACTIVE DISTILLATION COLUMNS." Latin American Applied Research - An international journal 44, no. 1 (2014): 41–46. http://dx.doi.org/10.52292/j.laar.2014.417.

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The effect of electrolytes in the temperature profile of saline extractive distillation columns is analyzed using a Newton–Raphson based program (acronym GKTM) with a new increase-bystep technique and applied to the system 1-propanolwater-LiNO3. In addition, the E-NRTL model is examined in order to validate its capability of making accurate predictions of phase equilibrium behavior and its suitability for simulation of extractive distillation columns. Special aspects of the phase equilibrium of mixed solvents electrolyte systems are analyzed. These particular features determine the special temperature profile in these cases.
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25

Austgen, David M., Gary T. Rochelle, Xiao Peng, and Chau Chyun Chen. "Model of vapor-liquid equilibria for aqueous acid gas-alkanolamine systems using the electrolyte-NRTL equation." Industrial & Engineering Chemistry Research 28, no. 7 (1989): 1060–73. http://dx.doi.org/10.1021/ie00091a028.

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26

Que, Huiling, Yuhua Song, and Chau-Chyun Chen. "Thermodynamic Modeling of the Sulfuric Acid−Water−Sulfur Trioxide System with the Symmetric Electrolyte NRTL Model." Journal of Chemical & Engineering Data 56, no. 4 (2011): 963–77. http://dx.doi.org/10.1021/je100930y.

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27

Bhattacharia, Sanjoy K., Nazir Hossain, and Chau-Chyun Chen. "Thermodynamic modeling of aqueous Na + –K + –Cl − –SO 4 2− quaternary system with electrolyte NRTL model." Fluid Phase Equilibria 403 (October 2015): 1–9. http://dx.doi.org/10.1016/j.fluid.2015.05.045.

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28

Barreau, A., E. Blanchon le Bouhelec, K. N. Habchi Tounsi, P. Mougin, and F. Lecomte. "Absorption of H2S and CO2in Alkanolamine Aqueous Solution: Experimental Data and Modelling with the Electrolyte-NRTL Model." Oil & Gas Science and Technology - Revue de l'IFP 61, no. 3 (2006): 345–61. http://dx.doi.org/10.2516/ogst:2006038a.

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29

Matin, Naser S., Joseph E. Remias, and Kunlei Liu. "Application of Electrolyte-NRTL Model for Prediction of the Viscosity of Carbon Dioxide Loaded Aqueous Amine Solutions." Industrial & Engineering Chemistry Research 52, no. 47 (2013): 16979–84. http://dx.doi.org/10.1021/ie4026874.

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30

Marliacy, P., J. B. Bourdet, L. Schuffenecker, and R. Solimando. "Dissolution enthalpy of anhydrous sodium sulfate in water. Experimental measurements and treatment with the electrolyte-NRTL model." Journal of Chemical Thermodynamics 34, no. 5 (2002): 579–91. http://dx.doi.org/10.1006/jcht.2001.0889.

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31

Saien, Javad, Mahdi Fattahi, and Maryam Mozafarvandi. "The impact of uni-univalent electrolytes on (water+acetic acid+toluene) equilibria: Representation with electrolyte-NRTL model." Journal of Chemical Thermodynamics 74 (July 2014): 238–46. http://dx.doi.org/10.1016/j.jct.2014.02.005.

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32

Santiago, I., C. Pereyra, M. R. Ariza, and E. Martínez de la Ossa. "Ethanol + 2-Methyl-1-butanol + Calcium Chloride System: Vapor−Liquid Equilibrium Data and Correlation Using the NRTL Electrolyte Model." Journal of Chemical & Engineering Data 52, no. 2 (2007): 458–62. http://dx.doi.org/10.1021/je060399s.

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33

Sultana, Sujala T., and M. Ruhul Amin. "Aspen-Hysys Simulation Of Sulfuric Acid Plant." Journal of Chemical Engineering 26 (March 24, 2012): 47–49. http://dx.doi.org/10.3329/jce.v26i1.10182.

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This work presents a theoretical investigation of the simulation of Sulfuric acid process plant. In the production of the acid in contact process liquid sulfur is sequentially oxidized to Sulfur tri oxide via an exothermic reaction which is absorbed by 98% Sulfuric acid in an absorption tower. In this research Aspen One V7.2 has been successfully used to design every sub-process of the sulfuric acid plant in one integrated environment. In order to simulate the process as accurately as possible COM thermo was selected as advanced thermodynamics. Electrolyte NRTL and Peng-Robinson were used for liquid and vapor phase respectively as fluid package and HYSYS properties were used for simulation. The simulation of sulfuric acid process included automatic chemistry generation and the capacity of handling electrolyte reactions for all unit models. Aspen-HYSYS provides specialized thermodynamics models and built-in data to represent the non-ideal behavior of liquid phase components in order to get accurate results. Material and energy flows, sized unit operations blocks can be used to conduct economic assessment of each process and optimize each of them for profit maximization. The simulation model developed can also be used as a guide for understanding the process and the economics, and also a starting point for more sophisticated models for plant designing and process equipment specifying. DOI: http://dx.doi.org/10.3329/jce.v26i1.10182 JCE 2011; 26(1): 47-49
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34

Honarparvar, Soraya, Sina Hassanjani Saravi, Danny Reible, and Chau-Chyun Chen. "Comprehensive thermodynamic modeling of saline water with electrolyte NRTL model: A study of aqueous Sr2+-Na+-Cl−-SO42− quaternary system." Fluid Phase Equilibria 470 (August 2018): 221–31. http://dx.doi.org/10.1016/j.fluid.2017.11.025.

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35

Sakal, Salem A. "TERNARY LIQUID-LIQUID EQUILIBRIA FOR {BENZENE + CYCLOHEXANE + DIFFERENT IONIC LIQUIDS } at T= 298.2 K and P=1 atm: EFFECT OF CATION AND ANION ON SEPARATION PERFORMANCE." Scientific Journal of Applied Sciences of Sabratha University 1, no. 1 (2018): 10–24. http://dx.doi.org/10.47891/sabujas.v1i1.10-24.

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Ionic liquids (ILs) based on imidazolium and pyridinium cations and differenttypes of anions containing transition metals were investigated for extraction of benzene from cyclohexane. The Liquid-liquid equilibrium (LLE) data are presented for six ternary systems of (Cyclohexane + Benzene + an ionic Liquid) at 298.15 K and atmospheric pressure. The ILs used in these systems are [Bmim][FeCl4], [Bmim][AlCl4], [Bmim][CuCl2], [BuPy][FeCl4]), [BuPy][AlCl4], and [C6Py][FeCl4] were all prepared in the lab. The influence of cation and anion structure of ILs on the separation selectivity and capacity for aliphatic/aromatic mixtures was analyzed. The results indicate that most ILs investigated shows both higher extractive selectivity and capacity for the aromatic components for the systems studied herein, suggesting they can be used as promising extracts for the separation of aliphatic/aromatic mixtures. The LLE data were well correlated by the non-random two-liquid (NRTL) model of non-electrolyte solutions with overall ARD deviation being about 0.0001 interm of the mole fraction based activity.
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36

Ball, F. X., W. Fürst, and H. Renon. "An NRTL model for representation and prediction of deviation from ideality in electrolyte solutions compared to the models of Chen (1982) and Pitzer (1973)." AIChE Journal 31, no. 3 (1985): 392–99. http://dx.doi.org/10.1002/aic.690310306.

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37

Honarparvar, Soraya, Sina Hassanjani Saravi, Danny Reible, and Chau-Chyun Chen. "Comprehensive thermodynamic modeling of saline water with electrolyte NRTL model: A study on aqueous Ba 2+ -Na + -Cl − -SO 4 2− quaternary system." Fluid Phase Equilibria 447 (September 2017): 29–38. http://dx.doi.org/10.1016/j.fluid.2017.05.016.

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38

Kuswandi, K., Ali Altway, and Yuni Kurniati. "Experimental and Estimation of Vapor-Liquid Equilibria in AqueousElectrolyte System: CO2-K2CO3-MDEA+DEA-H2O." Modern Applied Science 9, no. 7 (2015): 183. http://dx.doi.org/10.5539/mas.v9n7p183.

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Absorption with chemical reaction process of CO2 gas using K2CO3solution or known as hot potassiumcarbonate promoted with amine was widely used in many chemical industries. DEA and MDEA mixture wasproposed as promoter. Vapor-liquid equilibrium (VLE) data of CO2-K2CO3-MDEA+DEA-H2O system areneeded for rational design and optimal operation of CO2 removal unit. The purpose of this research is todertermine solubility data of CO2 gas in aqueous solution of potassium carbonate with DEA and MDEA as apromotor at various temperatures of 30-50°C with 30% K2CO3, 1-3% MDEA and 1-3% DEA. The CO2solubility is very important property when establishing thermodynamics models for the VLE. In order to obtainthe CO2 solubility, the normal procedure is to use the N2O analogy since the CO2 solubility cannot be directlymeasured. Solubility was measured volumetrically in absorption flask using a shaking waterbath. The increase ofDEA concentration in solution gives higher Henry’s constant or lower gas solubility. It also makes the empiricalcorrelation between Henry’s constant andtemperature in various concentrations of MDEA and DEA. The resultsof N2O analogy experiment were used to calculate the vapor liquid equilibria of CO2-K2CO3-MDEA+DEA-H2Osystem by using the electrolyte NRTL model. The model gives a good representation of the experimental VLEdata for CO2 partial pressures with Root Mean Square Deviation (RMSD) of 5.93%.
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39

Zong, Li, and Chau-Chyun Chen. "Thermodynamic modeling of CO2 and H2S solubilities in aqueous DIPA solution, aqueous sulfolane–DIPA solution, and aqueous sulfolane–MDEA solution with electrolyte NRTL model." Fluid Phase Equilibria 306, no. 2 (2011): 190–203. http://dx.doi.org/10.1016/j.fluid.2011.04.007.

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40

Oko, Eni, Toluleke E. Akinola, Chin-Hung Cheng, Meihong Wang, Jian Chen, and Colin Ramshaw. "Experimental study of CO2 solubility in high concentration MEA solution for intensified solvent-based carbon capture." MATEC Web of Conferences 272 (2019): 01004. http://dx.doi.org/10.1051/matecconf/201927201004.

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The solvent-based carbon capture process is the most matured and economical route for decarbonizing the power sector. In this process, aqueous monoethanolamine (MEA) is commonly used as the solvent for CO2 scrubbing from power plant and industrial flue gases. Generally, aqueous MEA with 30 wt% (or less) concentration is considered the benchmark solvent. The CO2 solubility data in aqueous MEA solution, used for modelling of the vapour-liquid equilibria (VLE) of CO2 in MEA solutions, are widely published for 30 wt% (or less) concentration. Aqueous MEA with higher concentrations (from 40 to 100 wt%) is considered in solvent-based carbon capture designs with techniques involving process intensification (PI). PI techniques could improve the process economics and operability of solvent-based carbon capture. Developing PI for application in capture process requires CO2 solubility data for concentrated MEA solutions. These data are however limited in literature. The modelling of the vapour-liquid equilibria (VLE) of CO2 in MEA solutions for PI-based solvent capture techniques involving stronger MEA solution of about 80 wt% concentration requires solubility data at the concentration. In this study, the data for 80 wt% MEA is presented for 40,60, 100 and 120oC. The experimental technique and analytical procedure in this study were validated by comparing the measurements for 30 wt% MEA with data from the literature. The data from this study can be fitted to VLE models such as electrolyte NRTL, extended UNIQUAC etc. which is an important component of solvent-based capture model using MEA as the solvent. More accurate VLE models will improve the prediction accuracy of capture level, rich loading etc. using PI-based solvent-based capture model.
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41

Maeda, Kouji, Parviz Safaeefar, Ha-Ming Ang, et al. "Prediction of Solid−Liquid Phase Equilibrium in the System of Water (1) + Alcohols (2) + MgSO4·7H2O (3) + MnSO4·H2O (4) by the Ion-Specific Electrolyte NRTL Model†." Journal of Chemical & Engineering Data 54, no. 2 (2009): 423–27. http://dx.doi.org/10.1021/je800457g.

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42

Haghtalab, Ali, Vladimiros G. Papangelakis, and Xuetang Zhu. "The electrolyte NRTL model and speciation approach as applied to multicomponent aqueous solutions of H2SO4, Fe2(SO4)3, MgSO4 and Al2(SO4)3 at 230–270°C." Fluid Phase Equilibria 220, no. 2 (2004): 199–209. http://dx.doi.org/10.1016/j.fluid.2004.03.013.

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43

Kurniati, Yuni, and Lailatul Qomariyah. "Prediksi Solubilitas (Absorpsi) Gas CO2 Dalam Larutan Potassium Karbonat (K2CO3) dan MDEA Menggunakan Simulasi ASPEN." Jurnal Teknik Kimia dan Lingkungan 2, no. 1 (2018): 1. http://dx.doi.org/10.33795/jtkl.v2i1.19.

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Gas karbon dioksida (CO2) merupakan gas asam (acid gas), karena sifatnya yang asam. Karena sifat asamnya ini, CO2 tergolong gas impurities yang sangat merugikan. Kecenderungan proses removal gas CO2 dari gas proses yang banyak diaplikasikan di industri kimia adalah absorpsi CO2 dalam larutan yang disertai reaksi kimia dengan menggunakan pelarut potasium karbonat (K2CO3) dengan penambahan amine sebagai promotor. Salah satu amine yang umum digunakan dalam industri kimia yaitu MDEA, dimana dikenal dengan proses Benfield. Data kesetimbangan fase uap-cair sistem CO2-K2CO3-MDEA-H2O dibutuhkan untuk perancangan yang rasional dan operasi yang optimal dari unit CO2 removal. Penelitian ini bertujuan untuk memprediksi data solubilitas gas CO2 di dalam larutan potasium karbonat dengan promotor MDEA pada tekanan 1 atm serta komposisi K2CO3-MDEA yaitu 30% massa K2CO3–2% massa MDEA pada temperatur 30, 50 dan 70oC dengan menggunakan model elektrolit-NRTL. Perhitungan ini menggunakan program ASPEN PLUS V7.3, kemudian selanjutnya digunakan untuk membandingkan hasilnya dengan penelitian terdahulu secara eksperimen dan simulasi menggunakan MATLAB. Hasil prediksi dibandingkan dengan data eksperimen dengan ARD tekanan parsial CO2 22,5%. Pada penelitian ini, kenaikan CO2 loading pada rentang 0,0117-0,0187 menyebabkan kenaikan kelarutan CO2 dan tekanan parsial CO2 sebesar 2-3%. Selain itu, dengan adanya kenaikan temperatur dari 30-70°C menyebabkan kenaikan tekanan parsial CO2 sebesar 2-3%.Carbon dioxide gas (CO2) is an acid gas, because of its acidic nature. CO2 is classified as a very harmful impurities gas. The tendency of CO2 removal process from process gas which is widely applied in chemical industry is chemical absorption using K2CO3 as solvent and amine as promoter. One of the amines that can be used is MDEA, which is known as Benfield process. The vapor-liquid phase data of the CO2-K2CO3-MDEA-H2O system are required for the rational design and optimal operation of the CO2 removal unit. This study aimed to predict solubility data of CO2 gas in potassium carbonate solution with MDEA promoter at 30% K2CO3-2% MDEA with various temperatures of 30, 50, and 70oC and 1 atm using the Electrolyte Non-Random Two Liquid (ENRTL) model. This calculation used ASPEN PLUS V7.3 program, then subsequently used to compare the results with previous experimental and simulated studies using MATLAB. The predicted results were compared with experimental data with ARD mole fraction CO2 22.5% by CO2 loading 0,0117-0.0187 . In this study, the increase of CO2 loading led to increased CO2 solubility and CO2 partial pressures . The increase in CO2 loading results in increased CO2 solubility and CO2 partial pressure 2-3%. Besides, in temperature rise causes an increase in CO2 partial pressure.
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44

Sadeghi, Rahmat. "Extension of the electrolyte NRTL and Wilson models for correlation of viscosity of strong electrolyte solutions at different temperatures." Fluid Phase Equilibria 259, no. 2 (2007): 157–64. http://dx.doi.org/10.1016/j.fluid.2007.07.008.

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45

Shariatmadar Tehrani, Mohammad Amin, and Ali Haghtalab. "Correlation of Ternary Aqueous Two-Phase Systems Containing Ionic Liquids and Salts Using Symmetric Electrolyte Local Composition Models: NRTL-NRF, UNIQUAC-NRF, and UNIQUAC." Journal of Chemical & Engineering Data 64, no. 12 (2019): 5448–61. http://dx.doi.org/10.1021/acs.jced.9b00612.

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46

Lins, Igor E. S., Natan S. Cruz, Gloria M. N. Costa, and Silvio A. B. Vieira de Melo. "Correlation and prediction of surface tension in single and mixed aqueous electrolyte solutions based on the mean ionic activity coefficient: A comparative analysis of Pitzer, E-NRTL and E-UNIQUAC models." Fluid Phase Equilibria 516 (July 2020): 112618. http://dx.doi.org/10.1016/j.fluid.2020.112618.

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47

Esmaeili, Arash, Zhibang Liu, Yang Xiang, Jimmy Yun, and Lei Shao. "Assessment of carbon dioxide separation by amine solutions using electrolyte non-random two-liquid and Peng-Robinson models: Carbon dioxide absorption efficiency." Journal of Construction Materials 2, no. 3 (2021). http://dx.doi.org/10.36756/jcm.v2.3.10.

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Abstract:
A high pressure carbon dioxide (CO2) absorption from a specific gas in a conventional column has been evaluated by the Aspen HYSYS simulator using a wide range of single absorbents and blended solutions to estimate the outlet CO2 concentration, absorption efficiency and CO2 loading to choose the most proper solution in terms of CO2 capture for environmental concerns. The property package (Acid Gas-Chemical Solvent) which is compatible with all applied solutions for the simulation in this study, estimates the properties based on an electrolyte non-random two-liquid (E- NRTL) model for electrolyte thermodynamics and Peng-Robinson equation of state for the vapor and liquid hydrocarbon phases. Among all the investigated single amines as well as blended solutions, piperazine (PZ) and the mixture of piperazine and monoethanolamine (MEA) have been found as the most effective absorbents respectively for CO2 absorption with high reactivity based on the simulated operational conditions.
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48

Jaime-Leal, José Enrique, and Adrián Bonilla-Petriciolet. "Correlation of Activity Coefficients in Aqueous Solutions of Ammonium Salts Using Local Composition Models and Stochastic Optimization Methods." Chemical Product and Process Modeling 3, no. 1 (2008). http://dx.doi.org/10.2202/1934-2659.1237.

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Abstract:
In this study, several local composition models and stochastic optimization methods have been used and compared in data fitting of activity coefficients in aqueous electrolytes. We have utilized the electrolyte-NRTL model of Chen et al. and the modified Wilson models proposed by Xu and Macedo, and Zhao et al. to fit the activity coefficients of several quaternary ammonium salts in water at 25°C. These electrolytes have interesting properties for their application as ionic liquids. However, the modeling of their thermodynamic behavior using local composition models is a global optimization problem. In this study, several stochastic optimization methods have been used to solve this optimization problem and their numerical performances have been compared. Specifically, we have tested the classical Simulated Annealing and the hybrid methods: Direct Search Simulated Annealing, Simplex Coding Genetic Algorithm, Simulated Annealing Heuristic Pattern Search, and Directed Tabu Search. Our results show that Simulated Annealing is a suitable tool for data fitting of the activity coefficients of aqueous electrolytes. Finally, the tested models can satisfactorily correlate the mean activity coefficients of electrolytes treated in this study, and are suitable for process design.
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49

Kim, Kang-Il, Jong-Hyok Ri, Se-Ung Kim, and Il-Hyok Kim. "Estimation of interaction parameters of electrolyte NRTL model based on NaCN and Na2CO3 solubility in water–ethanol mixed solvent and process simulation for separation of NaCN/Na2CO3." SN Applied Sciences 2, no. 12 (2020). http://dx.doi.org/10.1007/s42452-020-03914-5.

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