• Korean Chemical Engineering Research
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• v.46 no.5
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• pp.903-914
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• 2008

This study was undertaken for the production capacity expansion and energy saving through entire process simulation and optimization for the commercial process of manufacturing monoethylene glycol as a staple from ethylene oxide. Aspen $Plus^{TM}$(ver. 2006) was employed in the simulation and optimization work. The multicomponent vapor-liquid equilibria involved in the process were calculated using the NRTL-RK equation. As for the binary interaction parameters required for a total of 91 binary systems, those for 8 systems were self-supplied by the simulator, those for 28 systems were estimated through regression of the VLE data in the literature, and the remainder were estimated with the estimation system built in the simulator. Subsequent to ascertaining the accuracy of the generated parameters through comparison between actual and simulated process data, sensitive variables highly affecting the process were searched and selected using sensitivity analysis tool in the simulator. The optimum operating conditions minimizing the total heat duty of the process were investigated using the optimization tool based on the successive quadratic programming in the simulator.

• Clean Technology
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• v.18 no.4
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• pp.347-354
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• 2012

In this study, simulation works have been performed for the $CO_2$ removal process contained in the DME production process using NMP (N-methyl-2-pyrrolidone) as a solvent. PRO/II with PROVISION release 9.1 at Invensys was used as a chemical process simulator and NRTL activity coefficient model with Henry's law option and Soave-Redlich-Kwong equation of state were used for thermodynamic models. For the determination of the binary interaction parameters in NRTL model, regression works have been performed to match the experimental thermodynamic data. Optimal feed tray location which minimizes the reboiler heat duty was determined.

• Journal of the Korean Institute of Gas
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• v.3 no.3 s.8
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• pp.34-38
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• 1999

To propose a model equation, an acetic acid and n-heptane binary vapor liquid equilibrium system were investigated at 298.15K and 318.15K. Pressure was theoretically estimated using an association model based on the chemical theory, in conjunction with Margules, Wilson, NRTL models. Results were compared with those of calculated values without considering association. The theoretically calculated results of association model equations show a good agreement with the experimentally observed values.

• Korean Chemical Engineering Research
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• v.44 no.5
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• pp.444-452
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• 2006

This paper reports experimental excess molar volumes $V^E_m$ using a digital vibrating-tube densimeter and excess molar enthalpies $H^E_m$ by means of an isothermal microcalorimeter with a flow mixing cell for the binary mixtures{1,2-dichloropropane + 2-(2-methoxyethoxy)ethanol} and {1,2-dichloropropane + 2-(2-ethoxyethoxy)ethanol} at 298.15 K under atmospheric pressure. All the $V^E_m$ and $H^E_m$ of the two binary mixtures showed S-shaped forms, being negative for poor and positive for rich 1,2-dichloropropane mole fractions. These show that the excess properties were shown to be negative deviation from ideality due to the strong self-association effect among 2-(2-alkoxyethoxy)ethanol molecules at an early stage of mixing, a relatively high energy then is needed to break hydrogen bonds of 2-(2-alkoxyethoxy)ethanol with an increase ofhalogenated hydrocarbon molecular at high mole fraction of 1,2-dichloropropane. The values of excess molar properties($V^E_m$ and $H^E_m$) were fitted by the Redlich-Kister equation using Nelder-Mead's simplex pattern search method. The Wilson, NRTL, and UNIQUAC models were used to correlate the $H^E_m$ values.

• Journal of the Korean Institute of Gas
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• v.10 no.2 s.31
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• pp.22-26
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• 2006

In this study, modeling and simulation works using Aspen Plus were carried out for DME separation and purification process of pilot plant for the daily production of 50 kg of DME. For modeling of the entire DME separation unit, NRTL liquid activity coefficient model was used for the prediction of liquid phase non-idealities, Henry's law option was also used for the estimation of solubilities of light gases in solvents and SRK equation of state model was utilized for the description of vapor phase non-idealities. DME having over 98 wt% purity was obtained as a side distillate product in a DME purification column.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.11 no.2
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• pp.590-596
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• 2010

Through this study, we have attempted the thermodynamic analysis on the dimethyl ether (DME) separation process, which can be used for diesel alternative fuel, additive to LPG and natural gas. And we also have completed the simulation of DME separation process using PRO/II with PROVISION. As an appropriate thermodynamic models, we selected NRTL liquid activity coefficient model to describe the non-ideality between methanol and water. To estimate the vapor phase non-idealities, we have chosen the Peng-Robinson equation of state model. And we also use the Henry's law option to predict the solubilities of non-condensible gases like CO, $CO_2$, $H_2$, $CH_2$ and $N_2$ in methanol solvent. Case study showed that optimal solvent to feed molar ratio was 3.40

• Applied Chemistry for Engineering
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• v.21 no.3
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• pp.295-300
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• 2010

A binary system of 1-propanol and bromochloromethane which exhibits an azeotropic point and a considerable nonideal phase behavior probably due to the large boiling point difference is not amenable in the actual chemical processes such as the distillation tower and absorber. Therefore, experimental data of phase behavior data of this mixture are indispensable in understanding the inherent thermodynamic characteristics for an efficient application of the system in the industrial processes. In this work, the isobaric vapor-liquid equilibrium of a binary mixture consisting of 1-propanol and bromochloromethane was measured by using a recirculating equilibrium cell at various pressures ranging from 30 to 70 kPa. The measured VLE data were correlated in a satisfactory manner by using the UNIQUAC and NRTL models along with the thermodynamic consistency test based on Gibbs/Duhem equation. In addition, the excess molar volume of the mixture was also measured by using a vibrating densitometer and correlated with a Redlich-Kister polynomial.

• Clean Technology
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• v.14 no.4
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• pp.287-292
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• 2008

In this study, computer simulation works have been performed for the capture process of the $CO_2$ and $H_{2}S$ gases contained in the effluent stream using methanol aqueous solution. In order to increase the solubilities of the $CO_2$ and $H_{2}S$ in the methanol aqueous stream, the operating pressure of the absorber was raised to 30 bar and the feeding temperature of the solvent was lowered to $-20^{\circ}C$ by using refrigeration cycle. NRTL liquid activity coefficient model was used to estimate the liquid phase nonidealities for methanol and water. Soave-Redlich-Kwong equation of state was used for the vapor phase nonidealities. Henry's law option was also used to calculate the solubilities of the supercritical noncondensible gases into the methanol aqueous solvent stream.

• Korean Chemical Engineering Research
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• v.53 no.3
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• pp.302-308
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• 2015

Isothermal vapor liquid equilibria for the binary system of 3-methylpentane with ethylene glycol monopropyl ether ($C_3E_1$) and ethylene glycol isopropyl ether ($iC_3E_1$) were measured at 303.15, 318.15, and 333.15K. In our previous work, phase equilibria for the binary system of $C_3E_1$ mixtures were investigated according to the chain length of alkane, alcohol or those isomer. But in this study, we discussed the different effect of $C_3E_1$ and its isomer, $iC_3E_1$, on the phase equilibria. The measured systems were correlated with a Peng-Robinson equation of state (PR EOS) combined with Wong-Sandler mixing rule for the vapor phase, and NRTL, UNIQUAC, and Wilson activity coefficient models for the liquid phase. All the measured systems showed good agreement with the correlation results. And it was found that the phase equilibria showed very little difference between the $iC_3E_1$ mixture system and the $C_3E_1$ mixture system.

• Korean Chemical Engineering Research
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• v.57 no.1
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• pp.73-77
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• 2019

Isothermal (vapor + liquid) equilibrium data measurements were undertaken for the binary mixtures of (propylene oxide + 1-pentanol) system at three different temperatures (303.15, 318.15, and 333.15) K. The Peng-Robinson-Stryjek-Vera equation of state (PRSV EOS) was used to correlate the experimental data. The van der Waals one-fluid mixing rule was used for the vapor phase and the Wong-Sandler mixing rule, which incorporates the non-random two liquid (NRTL) model, the universal quasi-chemical (UNIQUAC) model and the Wilson model, was used for the liquid phase. The experimental data were in good agreement with the correlation results.