• Clean Technology
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• v.11 no.4
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• pp.165-170
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• 2005

The aim of this study is to provide vapor-liquid equilibrium (VLE) information for the study of process which directly synthesize dimethyl carbonate (DMC) from $CO_2$. For this study we collected some necessary VLE systems data of Methanol-Water, Methanol-DMC, $CO_2$-DMC, $CO_2$-Methanol, $CO_2$-Methanol, and performed VLE calculation with Peng-Robinson equation of state, Wong-Sandler mixing rules that widely used in chemical industry. These calculation results relatively agreed with VLE data well. Optimized Parameters of EoS given through this calculation will be used as some valuable information for fundamental study, process development and process optimization of DMC direct synthesis.

• Journal of the Korean Institute of Gas
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• v.14 no.2
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• pp.22-26
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• 2010

In this study, experimental vapor pressures and densities of vapor and liquid phases versus temperature were estimated using PC-SAFT equation. The estimated results were compared with those using PR equation of state. For the vapor phase densities, both equations well predicted the literature data. However, PC-SAFT equation showed better prediction capability for liquid phase densities. In the comparison of vapor-liquid equilibrium prediction capability for the binary systems of methane and ethane, PC-SAFT equation was better than the PR equation.

• 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.

• Journal of the Korea Academia-Industrial cooperation Society
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• v.13 no.2
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• pp.906-918
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• 2012

In this study, we compared with results simulated by EOS(Equation of State) using Peng-Robinson model and GERG-2004 model for estimating vapor pressure, latent heat of vaporation, liquid density, and binary isotherm vapor-liquid equilibrium on pure components composing natural gases. We obtained the simulated results that while EOS using GERG-2004 model is more accurate than EOS using Peng-Robinson model for estimating liquid density, but rather it is less accurate for estimating binary isotherm vapor-liquid equilibrium. On the other hand, the use of Costald model in EOS using Peng-Robinson model for increasing more accuracy to calculate liquid density is almost same as EOS using GERG-2004 model within the error of 1 % compared with experimental data. Also, we confirmed that on the estimation of binary isotherm vapor-liquid equilibrium, EOS using GERG-2004 model is more accurate than EOS using Peng-Robinson model, but they are almost same.

• Journal of the Korean Institute of Gas
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• v.14 no.5
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• pp.32-37
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• 2010

In this study, vapor-liquid equilibrium (VLE) data at several isothermal temperatures for carbon dioxide and ethane binary systems were estimated using binary interaction parameters (BIP's) in Peng-Robinson (PR) equation of state built-in PRO/II with PROVISION (PRO/II) process simulator. Moreover, BIP's in PR equation of state were newly determined by regressing the experimental VLE data for carbon dioxide and ethane systems for each different isothermal temperatures using the summation of squares of the bubble point deviations as an objective function. Comparative works have been performed for absolute average deviation % (AAD(%)) between experimental and predicted bubble pressures using built-in BIP's in PRO/II and newly regressed one, respectively. Our calculation results gave a better estimation result than the simulation result using an existing parameter built-in PRO/II.

• 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.

• Clean Technology
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• v.17 no.1
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• pp.19-24
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• 2011

The bubble point pressures of binary mixtures of carbon dioxide ($CO_2$) and N,N-dimethylformamide (DMF) were measured by using a high-pressure experimental apparatus equipped with a variable-volume view cell, at various $CO_2$ compositions in the range of temperatures above the critical temperature of $CO_2$ and below the critical temperature of DMF. The experimental bubble point pressure data were correlated with the Peng-Robinson equation of state (PR-EOS) to estimate the corresponding dew point compositions at equilibrium with the bubble point compositions. The experimentally measured bubble point pressures gave good agreement with those calculated by the PR-EOS. The variable-volume view cell equipment was verified to be an easy and quick way to measure the bubble point pressures of high-pressure compressible fluid mixtures.

• Transactions of the Korean Society of Automotive Engineers
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• v.12 no.2
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• pp.69-75
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• 2004

The present study is numerically investigated for the high pressure effects on the vaporization process of the DME droplet. The evaporation rate of DME droplets is about twice that of dodecane droplets at the same chamber condition. The DM droplet vaporization characteristics is parametrically studied for the wide range of the operating conditions encountered with the high pressure combustion process.

• Transactions of the Korean Society of Mechanical Engineers B
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• v.22 no.8
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• pp.1121-1131
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• 1998

The present study is numerically investigated for the high-pressure effects on the vaporization process in the convection-dominating flow field. Numerical results agree well with the available experimental data. The fuel droplet vaporization characterization is parametrically studied for the wide range of the operating conditions encountered with the high-pressure combustion process of turbocharged diesel engines.

• Korean Chemical Engineering Research
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• v.43 no.5
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• pp.579-587
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• 2005

Phase separations of Poly(4-vinylphenol)(PVPh)/acetone and PVPh/methyl ethyl ketone solutions were measured using the thermal optical analysis (TOA) method. The phase separations of these system showed the behaviors of LCST-type (lower critical solution temperature). The measured cloud temperatures were lowered with increasing molecular weight of PVPh, and cloud temperatures of PVPh/MEK solutions shifted to higher temperature regions, compared to the PVPh/acetone solutions. Phase equilibria of PVPh/ketone solutions were described with taking account of self-associations of PVPh and cross-associations between PVPh and solvent, by using the PC-SAFT equation of state. PC-SAFT EoS parameters of PVPh and cross-association parameters were determined by simultaneously fitting liquid density data of PVPh and VLE data of the PVPh/acetone system. The estimated parameters of PVPh and cross-association parameters were utilized to calculations of the binodal and spinodal curves, and the calculated binodal curves were in good agreements with the experimental cloud temperatures.