• 산업기술연구
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• 제11권
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• pp.3-16
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• 1991

The lattice-fluid theory are adopted for modeling the phese equilibria in supercritical fluids, In order to investigate effects of the nonrandom distribution of holes in mixtures on the phase equilibria, the equation of state and the chemical potential of the binary miture are formulated with taking into account nonrandomness of holes distributions in the fluid mixture. The relations of phase equilibria formulated in this work are tested through predictions of solubility of heavy solids in supercritical fluids and predictions of high pressure phase equilibria of binary mixtures. Results obtained exhibit that the lattice fluid model with assumptions of nonrandomness of hole distributions is successful in quantatively mideling the phase equilibria of mixtures of molecules of dissimilar sizes, specifically solids-supercritical fluid mixtures.

• 산업기술연구
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• 제18권
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• pp.267-275
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• 1998

Continuous thermodynamics has been applied for modeling of phase equilibria in multicomponent mixtures, to avoid disadvantages of the pseudo-component and key-component method. In this paper continuous thermodynamic relations formulated by using the Pate-Teja equation of state were adopted for calculations of phase equilibria in natural gas mixtures, crude oil mixtures and mixtures extracted by supercritical $CO_2$ fluids. Calculations of phase equilibria were performed by two procedures ; a moment method coupled with the beta distribution function and a quadrature method combined with Gaussian-Legendre polynomials. Calculated results were compared with experimental data. It was showed that continuous thermodynamic frameworks considered in this paper were well-matched to experimental data.

• 한국초전도ㆍ저온공학회논문지
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• 제14권4호
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• pp.28-31
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• 2012

We report the solid-liquid phase equilibria on the $GdBa_2Cu_3O_{7-{\delta}}$ (GdBCO) stability phase diagram in low oxygen pressures ($PO_2$) ranging from 1 to 100 mTorr. On the basis of the GdBCO stability phase diagram experimentally determined in low oxygen pressures, the isothermal sections of three different phase fields on log $PO_2$ vs. 1/T diagram were schematically constructed within the $Gd_2O_3-Ba_2CuO_y-Cu_2O$ ternary system, and the solid-liquid phase equilibria in each phase field were described. The invariant points on the phase boundaries include the following three reactions; a pseudobinary peritectic reaction of $GdBCO{\leftrightarrow}Gd_2O_3$ + liquid ($L_1$), a ternary peritectic reaction of $GdBCO{\leftrightarrow}Gd_2O_3+GdBa_6Cu_3O_y$ + liquid ($L_2$), and a monotectic reaction of $L_1{\leftrightarrow}GdBa_6Cu_3O_y+L_2$. A conspicuous feature of the solid-liquid phase equilibria in low $PO_2$ regime (1 - 100 mTorr) is that the GdBCO phase is decomposed into $Gd_2O_3+L_1$ or $Gd_2O_3+GdBa_6Cu_3O_y+L_2$ rather than $Gd_2BaCuO_5+L$ well-known in high $PO_2$ like air.

• Bulletin of the Korean Chemical Society
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• 제12권3호
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• pp.334-342
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• 1991

To investigate the phase equilibria and structural properties of microemulsions, we study a simple phenomenological model on the basis of the cubic lattice cell with which the oil- and water-filled cells are connected one another, respectively. The surfactant is assumed to be insoluble in both oil and water, and to be adsorbed at the oil-water interface. The Schulman condition, according to which the lateral pressure of the surfactant layer is compensated by the oil-water interfacial tension, is found to hold to good approximation in the middle-phase microemulsion. Our results show that the oil- and water-filled domains in that microemulsion are about 50-150 $\AA$ across, and depend sensitively on the curvature parameters. The phase diagram is not symmetric in this model. It may be asymmetrized intrinsically by non-equivalency of oil and water. The two- and tree-phase equilibria including critical points and critical endpoints are found.

• 한국수소및신에너지학회논문집
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• 제23권6호
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• pp.660-669
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• 2012

Gas resources captured in the form of gas hydrates are an order of magnitude larger than the resources available from conventional resources. Focus of this research is to investigate the effect of DME on phase equilibria of methane hydrate, as well as the possibility of the use of the PRO/II computer simulation to estimate the phase equilibria. In systems containing water and a gaseous component like, for instance, methane, ethane, and propane, gas hydrates may occur, if conditions in terms of pressure and temperature are satisfied. Mixtures of gases, e.g. LPG or natural gas, are also able to form gas hydrates in the presence of water. The experiments presented here were performed at temperatures varying between 268.15K and 288.15K and at pressures varying between 1.88 MPa and 10.56 MPa. It was found that the phase equilibria of methane hydrate is influenced by the addition of DME to the system. The pressure for the equilibrium hydrate-liquid water-vapor (H - $L_w$ - V) in the system water + methane is reduced upon addition of DME. The phase equilibria of methane hydrate can be estimated by the PRO/II computer simulation, whereas those of methane hydrate containing DME or LPG can't be estimated properly.

• Korean Chemical Engineering Research
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• 제53권3호
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• pp.302-308
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• 2015

본 연구에서는 3-Methylpentane을 포함하는 Ethylene glycol monopropyl ether ($C_3E_1$) 및 Ethylene glycol isopropyl ether ($iC_3E_1$) 계면활성제 혼합물에 대한 2성분계 기-액 상 평형을 서로 다른 온도 조건(303.15, 318.15, 333.15K)에서 측정 및 비교하였다. $C_3E_1$은 분자 내 수소결합과 분자 간 수소결합이 동시에 나타나는 자가 회합 성 물질이므로 상 평형 예측을 어렵게 하는 경향이 있다. 본 연구의 목적은 $C_3E_1$ 혼합물과 그 이성질체인 $iC_3E_1$ 혼합물의 상 평형을 각각 측정 및 비교함으로써, 자가 회합 성 물질의 이성질체가 상 평형에 어떠한 영향을 미치는지 알아보는 것이다. 측정된 시스템은 PR-WS-NRTL, PR-WS-UNIQUAC, 그리고 PR-WS-WILSON 모델을 이용하여 각각 계산하고 각 모델의 성능을 비교하였다. 계산에 사용된 모델은 대부분 좋은 결과를 보여주었으며, 특히 PR-WS-NRTL 모델이 가장 좋은 결과를 나타냈다. 또한 측정 시스템 간의 상 평형 차이가 크게 발생하지 않은 것으로 보아 자가 회합 성 물질의 이성질체가 상 평형에 끼치는 영향은 크지 않음을 알 수 있었다.

• Korean Chemical Engineering Research
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• 제54권2호
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• pp.206-212
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• 2016

Experimental data are reported on the phase equilibrium of propoxylated neopentyl glycol diacrylate in supercritical carbon dioxide. Phase equilibria data were measured in static method at a temperature of (313.2, 333.2, 353.2, 373.2 and 393.2) K and at pressures up to 27.82 MPa. At a constant pressure, the solubility of propoxylated neopentyl glycol diacrylate for the (carbon dioxide + propoxylated neopentyl glycol diacrylate) system increases as temperature increases. The (carbon dioxide + propoxylated neopentyl glycol diacrylate) system exhibits type-I phase behavior. The experimental result for the (carbon dioxide + propoxylated neopentyl glycol diacrylate) system is correlated with Peng-Robinson equation of state using mixing rule. The critical property of propoxylated neopentyl glycol diacrylate is predicted with Joback and Lyderson method.

• Macromolecular Research
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• 제11권1호
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• pp.53-61
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• 2003

A molecular-thermodynamic model is developed for the salt-induced protein precipitation. The protein molecules interact through four intermolecular potentials. An equation of state is derived based on the statistical mechanical perturbation theory with the modified Chiew's equation for the fluid phase, Young's equation for the solid phase as the reference system and a perturbation based on the protein-protein effective two body potential. The equation of state provides an expression for the chemical potential of the protein. In a single protein system, the phase separation is represented by fluid-fluid equilibria. The precipitation behaviors are simulated with the partition coefficient at various salt concentrations and degree of pre-aggregation effect for the protein particles. In a binary protein system, we regard the system as a fluid-solid phase equilibrium. At equilibrium, we compute the reduced osmotic pressure-composition diagram in the diverse protein size difference and salt concentrations.

• International Journal of Air-Conditioning and Refrigeration
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• 제11권2호
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• pp.61-66
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• 2003

In order to prevent roll-over and a rapid boil-off of LNG in tanks, the phase equilibria of carbon dioxide in liquefied natural gas components as binary mixtures at cryogenic temperatures have been experimentally measured using Fourier transform infrared spectroscopy in conjunction with a specially designed variable pressure/temperature cryostat cell (pathlength 2 mm; pressures up to 30 bar). Solid carbon dioxide has been found to be comparatively soluble in liquid nitrogen (3.25$\times$${10}^{-6}$ mole fraction), liquid methane (1.04$\times$${10}^{-4}$ mole fraction), liquid ethane (3.1$\times$${10}^{-2}$ mole fraction) and liquid propane (6.11$\times$${10}^{-2}$ mole fraction) at their normal boiling temperatures. The solubilities of carbon dioxide in various cryogens, which increased with increasing temperature, are much lower than those obtained by others using gas chromatography. The differences are attributed to infrared spectroscopy selectively measuring dissolved solute in situ whereas gas chromatography measures microscopic particulate solid in addition to dissolved solute.

• 한국분말재료학회지
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• 제6권1호
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• pp.18-35
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• 1999

Phase equilibria in the system Si3N4-TiC-TiCxN1-x-C-N were determined by thermodynamic calculations (CALPHAD-method). The reaction peaction paths for Si3N4-TiC and SiC-TiC composites in the Ti-Si-C-n system were simulated at I bar N2-pressure and varying terpreatures. At a temperature of 1923 K two tie-triangles (TiC0.34N0.66+SiC+C and TiC0.13N0.87+SiC+Si3N4) and two 2-phase fieds (TiCxN1-x+SiC; 0.13