• Korean Chemical Engineering Research
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• v.56 no.5
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• pp.607-624
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• 2018

We review SAFT equation of state (EOS) which is based on TPT theory and statistical-mechanical principles, and confirm that it can be used as a useful tool to predict vapor-liquid phase equilibria of associating fluid mixtures. We examine theoretical structure of PC-SAFT EOS in great detail, and then assess the applicability and performance of the EOS while applying it to various mixtures containing nonpolar components, polar components and associating components in a stage-wise manner. In contrast to the conventional engineering EOS, PC-SAFT EOS can accurately predict nonideal behaviors of those mixtures without using semi-empirical binary interaction parameter. This is because the SAFT theory is based on a rigorous theoretical framework at molecular level which effectively accounts for various intermolecular interactions, and it thus provides substantial benefits in applying the SAFT EOS to complex thermodynamic phenomena of multi-component mixtures.

• 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.

• Korean Chemical Engineering Research
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• v.56 no.2
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• pp.222-228
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• 2018

Benzene is one of the most widely used basic materials in the petrochemical industry. Generally, benzene exists as a mixture with alcohols rather than as a pure substance. Further, the alcohols-added mixtures usually exhibit an azeotropic composition. In this context, knowledge of the phase equilibrium behavior of the mixture is essential for its separation and purification. In this study, the vapor-liquid equilibrium data were measured in favor of a recirculating VLE apparatus under constant pressure for the 1 - propanol / benzene system. The measured vapor - liquid equilibrium data were also correlated by using the UNIQUAC and WILSON models and the thermodynamic consistency test based on the Gibbs/Duhem equation was followed. The results of the phase equilibrium experiment revealed RMSEs (Root Mean Square Error) and AADs (Average Absolute Deviation) of less than 0.05 for both models, indicating a good agreement between the experimental value and the calculated value. The results of the thermodynamic consistency test also confirmed through the residual term within ${\pm}0.2$.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.22 no.3
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• pp.763-769
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• 2021

In this study, ionic liquids were synthesized to remove carbon dioxide (CO2) on a laboratory scale. The vapor-liquid absorption equilibrium device (VLE) was used to investigate the carbon dioxide absorption capacity. In the regeneration study, the absorption capacity after regeneration was reduced by approximately 7% for all ionic liquids, in which the anion was sulfite-based, showing excellent regeneration. Ethyl sulfite showed the highest absorption capacity of CO2 among the ionic liquids based on the sulfite anion. In particular, the absorption capacity of [beim] ethyl sulfite was 1.1 mol CO2 / mol IL at an absorption equilibrium pressure of 22 bar. In the regeneration study, the absorption capacity after regeneration was reduced by approximately 7% for all ionic liquids, in which the anion was sulfite-based, from which regeneration is outstanding. After the absorption experiment, the viscosity of the sample tended to decrease by approximately 8% compared to that before the absorption experiment. On the other hand, the absorbent was synthesized in the first step. Moreover, the raw material used is also inexpensive and has excellent reproducibility and highly stable absorbent capacity.

• Journal of the Korean Society for Marine Environment & Energy
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• v.13 no.3
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• pp.187-197
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• 2010

Carbon dioxide Capture and Storage(CCS) is regarded as one of the most promising options to response climate change. CCS is a three-stage process consisting of the capture of carbon dioxide($CO_2$), the transport of $CO_2$ to a storage location, and the long term isolation of $CO_2$ from the atmosphere for the purpose of carbon emission mitigation. Up to now, process design for this $CO_2$ marine geological storage has been carried out mainly on pure $CO_2$. Unfortunately the $CO_2$ mixture captured from the power plants and steel making plants contains many impurities such as $N_2$, $O_2$, Ar, $H_2O$, $SO_2$, $H_2S$. A small amount of impurities can change the thermodynamic properties and then significantly affect the compression, purification, transport and injection processes. In order to design a reliable $CO_2$ marine geological storage system, it is necessary to analyze the impact of these impurities on the whole CCS process at initial design stage. The purpose of the present paper is to compare and analyse the relevant physical property models including BWRS, PR, PRBM, RKS and SRK equations of state, and NRTL-RK model which are crucial numerical process simulation tools. To evaluate the predictive accuracy of the equation of the state for $CO_2-SO_2$ mixture, we compared numerical calculation results with reference experimental data. In addition, optimum binary parameter to consider the interaction of $CO_2$ and $SO_2$ molecules was suggested based on the mean absolute percent error. In conclusion, we suggest the most reliable physical property model with optimized binary parameter in designing the $CO_2-SO_2$ mixture marine geological storage process.