• Korean Chemical Engineering Research
• /
• v.50 no.1
• /
• pp.93-105
• /
• 2012

Activity coefficients and solubilities of L-Valine and L-Proline in aqueous solutions containing each of four electrolytes such as NaCl, KCl, $NaNO_3$ and $KNO_3$ were measured at 298.15 K. The measurements of activity coefficients were carried out in the electrochemical cell coupled with two ion-selective electrodes (cation and anion), and the solubilities were measured by the gravimetric analysis of saturated solutions in equilibrium with the solid phase of amino acid. The measured activity coefficients of electrolytes and amino acids were correlated with the theoretical thermodynamic model presented in the previous work [Korean Chem. Eng. Res. 48(4), 519(2010)]. It was found that the activity coefficients of amino acids and electrolytes described based on the our previous model were well agreeable with experimental data. Also the experimental solubility data of L-Valine and L-Proline were successfully correlated with the thermodynamic relation mentioned in the previous work.

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

• Journal of Industrial Technology
• /
• v.20 no.A
• /
• pp.203-209
• /
• 2000

The fluctuation integrals which give useful information in the structure of solution are associated with the mixed direct correlation integral ($C_{12}$) known. Using its weighted arithmetic mean of $C_{11}$ and $C_{22}$ and the activity coefficient model, the fluctuation integrals on solute-solute, solvent-solute, and solvent-solvent can be calculated in the function of mole fraction. In this work, several binary mixtures containing c-hexane were tested and the results on the fluctuation integrals were rather good.

• Journal of the Korean Institute of Gas
• /
• v.13 no.5
• /
• pp.20-25
• /
• 2009

Low explosion limits of flammable liquid mixtures can be calculated with the appropriate use of the fundamental laws of Raoult, Dalton, Le Chatelier and activity coefficient models. In this paper, Raoult's law, van Laar equation and Wilson equation are shown to be applicable for the prediction of the lower explosion limits for ethylacetate+ethanol and ethanol+toluene systems. The calculated values based on Raoult's law were found to be better than those based on van Laar and Wilson equations.

• Proceedings of the Korea Institute of Fire Science and Engineering Conference
• /
• 2012.04a
• /
• pp.202-205
• /
• 2012

• Korean Chemical Engineering Research
• /
• v.48 no.4
• /
• pp.519-533
• /
• 2010

Activity oefficients and solubilities of L-Alanine in aqueous solutions containing each of four electrolytes(NaCl, KCl, $NaNO_3$ and $KNO_3$) were measured at 298.15 K. The measurements of activity coefficients were carried out in the electrochemical cell coupled with two ion-selective electrodes(cation and anion), and the solubilities were measured by the gravimetric analysis of saturated solutions in equilibrium with the solid phase of L-alanine. To model the activity coefficients and solubilities of amino acid in the amino acid/electrolyte aqueous solutions, thermodynamic relations of the residual Helmholtz free energy in the amino acid/electrolyte aqueous solutions were developed based on the perturbed-chain statistical associating fluid theory(PC-SAFT) combined with the primitive mean spherical approximation(primitive-MSA). In the present model, it is assumed that the zwitterions of L-alanine are associated with each other and cross-associated with water molecules, and also cross-associated with the cation and anion dissociated from an electrolyte(inorganic salt). The activity coefficients and solubilities of L-Alanine calculated from the theoretical model proposed in this work are found to be well agreeable with experimental data.

• Korean Chemical Engineering Research
• /
• v.44 no.2
• /
• pp.129-135
• /
• 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
• /
• v.43 no.4
• /
• pp.474-481
• /
• 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
• /
• v.18 no.4
• /
• pp.347-354
• /
• 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 Energy Engineering
• /
• v.2 no.2
• /
• pp.225-230
• /
• 1993

Isothermal vapor-liquid equilibrium data have been measured for binary systems n-dodecane-1-defanol, n-doderane-1-dodecanol, and 1-decanoi-1-dodecanol at 140$^{\circ}C$ by using head space gas chromatography (H.S.G.C) as a static method. The activity coefficients, calculated taking into acount the nonideality of the liquid phase, were correlated with the conventional g$\^$E/ model, Margules, van Laar, Wilson, NRTL equations. These equilibrium data were thermodynamically consistent by Rrdlich- kister test, among these data, system n-dodecane-1-detanoi has minimum azeotrope.