• Journal of the Korea Academia-Industrial cooperation Society
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• v.11 no.5
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• pp.1747-1753
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• 2010

In this study, a comparative study was performed to predict the vapor-liquid equilibria with maximum azeotropic pressure for ethanol-benzene binary system between an equation of state model and a liquid activity coefficient model. Peng-Robinson equation of state model with a Panatiotopoulos mixing rules (PRP) was used and NRTL liquid activity coefficient model proposed by Renon was selected. The PRP model, even though it has only two binary adjustable parameters, was not inferior to the NRTL model to predict vapor-liquid equilibria for low pressure region of ethanol-benzene system and showed a better prediction capability for high pressure region of ethanol-benzene system than the NRTL model with three binary interaction parameters.

• Korean Chemical Engineering Research
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• v.44 no.2
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• pp.129-135
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• 2006

In this study, computer modeling and simulation works were performed to obtain nearly pure toluene product from toluene containing non-aromatic compounds using sulfolane as a solvent through an extractive distillation process. NRTL liquid activity coefficient model was adopted for phase equilibrium calculations and Aspen Plus release 12.1, a commercial process simulator, was used to simulate the extractive distillation process. In this study, it was concluded that the toluene product with a purity of 99.8 percent by weight and a recovery of 99.65 percent was obtained through an extractive distillation process.

• Korean Chemical Engineering Research
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• v.43 no.4
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• pp.474-481
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• 2005

In this study, modeling and optimization work were performed to obtain nearly pure anhydrous ethanol from aqueous ethanol mixtures using benzene as an entrainer. NRTL liquid activity coefficient model was adopted for phase equilibrium calculations and PRO/II with PROVISION 6.01, a commercial process simulator, was used to simulate the azeotropic distillation process. We used the total reboiler heat duties as an objective function and the concentration of ethanol at concentrator top as a manipulated variable. As a result, 76 mole percent of ethanol at concentrator top gave an optimum value which minimized the total reboiler heat duties of three distillation columns.

• Clean Technology
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• v.22 no.4
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• pp.241-249
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• 2016

In this study, comparative work has been performed between two-columns and three-columns configurations for an extractive distillation process to produce highly purified ethanol with not less than 99.7 wt% using dimethyl sulfoxide (DMSO) and ethylene glycol (EG) as extracting agents. Optimal ethanol concentration at a concentrator top stream which minimized the total reboiler heat duties was determined for a three-columns configuration for two different solvents. For the thermodynamic model, NRTL liquid activity coefficient model was used and PRO/II with PROVISION 9.4 at Schneider electric company was utilized. DMSO was proved to be a better solvent than EG and three-columns configuration is better than two- columns configuration in the total utility consumptions since some of the liquid water contained in the feed stream was removed at a concentrator bottom liquid stream.

• 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

• 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.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.18 no.10
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• pp.136-152
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• 2017

The thermodynamic models, PC-SAFT (Perturbed-Chain Statistical Associated Fluid Theory) state equation and the Two-model approach liquid activity coefficient model NRTL (Non Random Two Liquid) + Henry + Peng-Robinson, for modeling the Rectisol process using methanol aqueous solution as the $CO_2$ removal solvent were compared. In addition, to determine the new binary interaction parameters of the PC-SAFT state equations and the Henry's constant of the two-model approach, absorption equilibrium experiments between carbon dioxide and methanol at 273.25K and 262.35K were carried out and regression analysis was performed. The accuracy of the newly determined parameters was verified through the regression results of the experimental data. These model equations and validated parameters were used to model the carbon dioxide removal process. In the case of using the two-model approach, the methanol solvent flow rate required to remove 99.00% of $CO_2$ was estimated to be approximately 43.72% higher, the cooling water consumption in the distillation tower was 39.22% higher, and the steam consumption was 43.09% higher than that using PC-SAFT EOS. In conclusion, the Rectisol process operating under high pressure was designed to be larger than that using the PC-SAFT state equation when modeled using the liquid activity coefficient model equation with Henry's relation. For this reason, if the quantity of low-solubility gas components dissolved in a liquid at a constant temperature is proportional to the partial pressure of the gas phase, the carbon dioxide with high solubility in methanol does not predict the absorption characteristics between methanol and carbon dioxide.

• Korean Chemical Engineering Research
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• v.57 no.1
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• pp.78-84
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• 2019

Recently, bio-butanol is being promoted as environmentally friendly sustainable energy. However, some problems are still obstacle for commercialization of bio-butanol: the development of cheap biomass and enhancement of fermentation ratio and preparation of economical separation process for fermented products. In the conventional ABE biobutanol fermentation process, organic acids with acetone, butanol, and ethanol are produced. Therefore, it is necessary to study phase equilibrium data and mixture properties for the design and operation of separation process. However, there is lack of design data for organic acids except acetic acid contained system. In this study, therefore, binary solid-liquid equilibria (SLE) and mixture properties: the excess molar volumes ($V^E$), molar refraction deviation (${\Delta}R$) and deviation of viscosity (${\Delta}v$) at 298.15 for $C_3-C_6$ organic acid were reported. The experimental SLE data were correlated with the NRTL and UNIQUAC activity coefficient model with less than 0.5 K of root mean square deviation (RMSD). In addition, $V^E$, ${\Delta}R$ and ${\Delta}v$ for the same binary systems were satisfactorily fitted using the Redlich-Kister polynomial with less than ca. 0.004 standard deviation.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.19 no.6
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• pp.88-97
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• 2018

Computer modeling and optimization works have been performed for the separation of the binary mixture of 1-propanol and benzene through a pressure-swing distillation. PRO/II with PRIVISION V10.0 at Schneider Electric company and NRTL liquid activity coefficient model were utilized. The sum of the total reboiler heat duties of the low-high and high-low pressure column configurations were compared. To minimize the utility consumptions, low column, and high column to obtain pure benzene at the top, the number of theoretical stages and optimal feed tray locations for each distillation column were determined and the reflux ratios for each distillation column were also adjusted. As a result of the optimization works, the sum of the total reboiler heat duties for the high-low and low-high pressure configurations were $3.10{\times}10^6kcal/h$ and $2.75{\times}10^6kcal/h$, respectively. In the case where heat integration was applied to low-high pressure configurations, 57.36 % of the total reboiler heat duties could be saved compared to the high-low pressure configurations.