• Bulletin of the Korean Chemical Society
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• 제18권8호
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• pp.841-850
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• 1997

A simple molecular theory of mixtures is formulated based on the nonrandom two-fluid lattice-hole theory of fluids. The model is applicable to mixtures over a density range from zero to liquid density. Pure fluids can be completely characterized with only two molecular parameters and an additional binary interaction energy is required for a binary mixture. The thermodynamic properties of ternary and higher order mixtures are completely defined in terms of the pure fluid parameters and the binary interaction energies. The Quantitative prediction of vapor-liquid, and solid-vapor equilibria of various mixtures are demonstrated. The model is useful, in particular, for mixtures whose molecules differ greatly in size. For real mixtures, satisfactory agreements are resulted from experiment. Also, the equation of state (EOS) is characterized well, even the liquid-liquid equilibria behaviors of organic mixtures and polymer solutions with a temperature-dependent binary interaction energy parameter.

• Bulletin of the Korean Chemical Society
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• 제23권7호
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• pp.953-956
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• 2002

Excess molar volumes (Vm E ) of binary liquid mixtures: xC6H5CH3 + (1-x1)CH3CN or + (1-x1)C6H5NO2, or + (1-x1)C2H5NO2 have been determined as a function of mole fraction of C6H5CH3 (x) at a temperature of 303.15 K over a entire range of composition. The densities of the binary liquid mixtures were determined by pycnometrically. The VmE values of the mixtures have been found to be negative over the whole composition in order of C6H5CH3 + C6H5NO2, < C6H5CH3 + CH3CN, and < C6H5CH3 + C2H5NO2. The negative magnitude of VmE suggests the presence of intermolecular interaction in the three binary liquid mixtures.

• Journal of Mechanical Science and Technology
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• 제17권6호
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• pp.935-944
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• 2003

Forced convective boiling heat transfer coefficients were predicted for an annular flow inside a horizontal tube for pure refrigerants and nonazeotropic binary refrigerant mixtures. The heat transfer coefficients were calculated based on the turbulent temperature profile in liquid film and vapor core considering the composition difference in vapor and liquid phases, and the nonlinearity in mixing rules for the calculation of mixture properties. The heat transfer coefficients of pure refrigerants were estimated within a standard deviation of 14% compared with available experimental data. For nonazeotropic binary refrigerant mixtures, prediction of the heat transfer coefficients was made with a standard deviation of 18%. The heat transfer coefficients of refrigerant mixtures were lower than linearly interpolated values calculated from the heat transfer coefficients of pure refrigerants. This degradation was represented by several factors such as the difference between the liquid and the overall compositions, the conductivity ratio and the viscosity ratio of both components in refrigerant mixtures. The temperature change due to the concentration gradient was a major factor for the heat transfer degradation and the mass flux itself at the interface had a minor effect.

• 대한화학회지
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• 제56권5호
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• pp.548-555
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• 2012

Ultrasonic velocity and density measurements have been undertaken for a number of binary liquid mixtures involving different commercial solvent extractants, LIX reagents. The binary mixtures under investigation have been classified under two categories such as polar-polar, and polar-non-polar types. Different theories and relations such as Schaaff's Collision Factor Theory (CFT), Nomoto's relation (NOM), and Van Dael & Vangeel ideal mixing relation (IMR) have been used to evaluate the velocity theoretically for all these binary systems. The relative merits of afore-mentioned theories and relations compared to experimental values of velocity have been discussed in terms of percentage variations. However, the CFT and Nomoto's relation show better agreement with the experimental findings than the ideal mixing relation for all the systems under investigation.

• Bulletin of the Korean Chemical Society
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• 제23권6호
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• pp.811-817
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• 2002

Gibbs ensemble Monte Carlo simulations were performed to calculate the vapor-liquid coexistence properties for the binary mixtures $CO_2/CH_3OH$, $CO_2/C_2H_5OH$, and $CO_2/CH_3CH_2CH_2OH.$ The configurational bias Monte Carlo method was used in the simulation of alcohol. Density of the mixture, composition of the mixture, the pressure-composition diagram, and the radial distribution function were calculated at vapor-liquid equilibrium. The composition and the density of both vapor and liquid from simulation agree considerably well with the experimental values over a wide range of pressures. The radial distribution functions in the liquid mixtures show that $CO_2$ molecules interact more stogly with methyl group than methylene group of $C_2H_5OH$ and $CH_3CH_2CH_2OH$ due to the steric effects of the alcohol molecules.

• Bulletin of the Korean Chemical Society
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• 제21권11호
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• pp.1133-1137
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• 2000

Gibbs ensemble Monte Carlo simulations were performed to calculate the vapor- liquid coexistence properties for the binary mixtures $CO_2/C_3H8$, $CO_2/CH_3OCH_3$, and $CO_2/CH_3COCH_3.$ For all the molecules the potential between sites in different molecules was simply calculated by the Lennard-Jones potential. Density of the mixture, composition of the mixture, the pressure-composition diagram, the chemical potential of component, and the radial distribution function were calculated at vapor- liquid equilibrium. The composition and the density of both vapor and liquid from simulation agreed considerably well with the experimental values over a wide range of pressures. The radial distribution functions in the liquid mixtures showed that $CO_2$ molecules tended to form cluster with each other and $C_3H8$ molecules also aggregated each other due to the weak interaction between $CO_3$ and $C_3H8$ molecule. However the interaction potentials between the same components were similar to those between the different components in the liquid mixtures $CO_2/CH_3OCH_3$ and $CO_2/CH_3COCH_3$.

• 대한기계학회논문집
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• 제14권5호
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• pp.1337-1348
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• 1990

본 연구에서는 Peng-Robinson 상태 방정식을 기본으로 하여 먼저 단일 성분의 냉매에 대한 열역학적 물성치를 구한 뒤 그 정확도를 검증하고, 동일한 형태의 상태식 과 적절한 혼합 법칙을 통해 혼합냉매의 기액 평형 상태와 냉동 및 열펌프 사이클 해 석에 필요한 엔탈피와 엔트로피 등의 열역학적 물성치를 추산하고자 한다.단일 성 분의 냉매로서는 R13B1, R22, R12, R152a, R114를 택하였고, 혼합냉매로서는 앞의 단 일성분 냉매를 혼합한 것 중에서 그 기초적인 실험 자료가 아미 알려진 R13B1/R114, R22/R114, R12/R114 R152a/R114, R13B1/R152a 및 R13B1/R12를 택하였다. 이는 추후 상이한 냉매를 단일식으로 나타낼 수 있는 대응상태의 원리를 사용한 열물성 계산의 기반이 될 수 있을 것이다.

• 설비공학논문집
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• 제16권10호
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• pp.942-951
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• 2004

This paper presents the results of a theoretical study of the effect of radiation during free convective laminar film boiling for methanol/water binary mixtures on an isothermal vertical wall at atmospheric pressure. With the well-known boundary layer theory as a basis, a theoretical model has been formulated into consideration for mass diffusion at liquid phase. The equations are numerically solved by a similarity method to investigate the effects of radiation emissivity on the surface with various parameters such as wall superheat and composition of more volatile component at liquid phase far from the wall. From the results, the distributions of the physical quantifies are investigated in both phases. New correlations are proposed to predict the heat transfer coefficient of binary mixtures. It is shown that the proposed correlations are in good agreement with numerical results and with Bromley's correlation within maximum $11\%$ errors. It is also found that as the wall superheat is increased, radiation effect becomes more important.

• 청정기술
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• 제26권4호
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• pp.279-285
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• 2020

Laboratories and industrial processes typically involve the use of flammable substances. An important property used to estimate fire and explosion risk for a flammable liquid is the flash point. In this study, flash point data at 101.3 kPa were determined using a SETA closed cup flash point tester on the following solvent mixtures: {2,2,4-trimethylpentane + methylcyclohexane}, {2,2,4-trimethylpentane + ethylbenzene}, and {2,2,4-trimethylpentane + p-xylene}. The purpose of this work is to obtain flash point data for binary mixtures of 2,2,4-trimethylpentane with three hydrocarbons (methylcyclohexane, ethylbenzene, and p-xylene), which are representative compounds of the main aromatic hydrocarbon fractions of petroleum. The measured flash points are compared with the predicted values calculated using the GE models' activity coefficient patterns: the Wilson, the Non-Random Two-Liquid (NRTL), and the UNIversal QUAsiChemical (UNIQUAC) models. The non-ideality of the mixture is also considered. The average absolute deviation between the predicted and measured lower flash point s is less than 1.99 K, except when Raoult's law is calculated. In addition, the minimum flash point behavior is not observed in any of the three binary systems. This work's predicted results can be applied to design safe petrochemical processes, such as identifying safe storage conditions for non-ideal solutions containing volatile components.

• 대한기계학회논문집
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• 제15권6호
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• pp.2189-2205
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• 1991

본 연구에서는 혼합냉매의 열역학적 물성치를 정확하게 예측하기 위하여 척력 과 인력항으로 된 간단한 형태의 상태방정식을 택하고 이를 이용하여 순수성분에 대한 열역학적 물성치 자료와 혼합냉매에 대한 기액평형상태 자료를 이용하여 혼합물에 대 한 열역학적 물성치를 보다 더욱 정확하게 예측 할 수 있는 방법에 관해 연구하고자 한다.혼합냉매에 대한 상태방정식과 이상기체 상태의 비열자료를 기초로 열역학적 관계식을 이용하여, 압력-엔탈피, 온도-엔트로피 관계를 공식화하며, 혼합냉매에 대한 열펌프 및 냉동사이클 해석에 필요한 자료를 제시한다.