• Journal of Industrial Technology
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• v.9
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• pp.119-125
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• 1989

Lennard-Jones 유체 혹은 거의 구형에 가까운 분자들의 혼합물의 열역학적 성질을 예측하기 위한 용액이론이 유도되었다. 이 이론에는 에너지와 분자직경에 대한 두 개의 변수가 존재하며, 강구(hard sphere)를 중심으로 하여 동경함수(pair distribution function)를 확장시키는 교반이론(perturbation theory)에서 1/kT에 대한 일차와 이차계수의 관계로부터 얻어지는 혼합법칙을 이용하는 HSE이론과 달리 Orstein-Zernike결과와 일치되는 분자직경 변수를 먼저 구한 다음, 일차계수와 함께 얻어진 혼합법칙이 유도되었다. 이 방법으로 위 유체들의 혼합물에 적용시켰을 때, 원래의 HSE나 vdW-1의 방법보다 좋은 결과의 열역학적 성질을 예측할 수 있었다.

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

• Proceeding of EDISON Challenge
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• 2014.03a
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• pp.311-323
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• 2014

분자동역학 모의실험을 이용하여 간단한 van der Waals 상호작용하는 이성분 혼합물 계의 섞임 자유에너지 및 섞임 엔트로피 등 섞임과 관련된 열역학 함수들을 계산하는 방법을 소개한다. 각 혼합물의 과잉 자유에너지는 열역학 적분 (thermodynamic integration)방법을 이용하여 계산하고, 이성분 혼합물의 섞임 관련 열역학 함수들은 Hess의 법칙을 확장함으로써 구한다. 계산 결과로부터 온도가 증가할수록 계의 섞임 Helmholtz 자유에너지는 감소하며, 섞임 내부에너지도 감소함을 알 수 있다. 섞임 엔트로피는 온도가 증가할수록 이상기체의 섞임 엔트로피에 접근함을 알 수 있다. 섞임 Helmholtz 자유에너지에 대한 섞임 내부에너지와 섞임 엔트로피 기여도를 조사한 결과 이 계의 섞임 과정을 주도하는 추진력은 엔트로피에 의한 것임을 알 수 있다. 본 연구 방법과 결과를 이용함으로써 학부생들이 혼합물의 열역학 성질을 이해하는데 도움을 주리라 기대한다.

• Journal of the Korean Institute of Gas
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• v.18 no.5
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• pp.60-65
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• 2014

The flash point is the major physical property used to characterize the fire hazard of flammable liquid solutions. In the present study, the main focus is on measuring and estimating the flash points for binary flammable mixture. The flash points for n-propanol+propionic acid were measured by Seta flash closed cup apparatus. The experimental data were correlated with the van Laar and NRTL equations through the optimization method. The results estimated by these correlations were compared with the values calculated by the method based on Raoult's law. The optimization method were found to be better than the method based on the Raoult's law.

• Journal of the Korean Institute of Gas
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• v.11 no.3
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• pp.13-18
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• 2007

The multivariate statistical analysis, using the multiple linear regression(MLR), have been applied to analyze and predict the flash points of binary systems. Prediction for the flash points of flammable substances is important for the examination of the fire and explosion hazards in the chemical process design. In this paper, the flash points are predicted by MLR based on the physical properties of pure substances and the experimental flash points data. The results of regression and prediction by MLR are compared with the values calculated by Raoult's law and Van Laar equation.

• Journal of the Korean Institute of Gas
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• v.22 no.2
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• pp.52-58
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• 2018

The flash point is one of the most important properties to characterize fire and explosion hazard of flammable liquid mixture. In this paper, the flash points of ternary liquid mixture, n-nonane+n-decane+n-tridecane system, were measured using Seta flash closed cup tester. The measured values were compared with the calculated values using Raoult's law and multiple regression analysis. The absolute average errors(AAE) of the results calculated by Raoult's law is $0.6^{\circ}C$. The absolute average errors of the results calculated by multiple regression analysis is $0.4^{\circ}C$. As can be seen from AAE, the calculated values based on multiple regresstion analysis were found to be better than those based on Raoult's law.

• Journal of the Korean Chemical Society
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• v.17 no.5
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• pp.324-331
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• 1973

We study a mixture of ideal gases by use of recently developed methods in continuum thermodynamics of irreversible processes. A complete form of the free energy function and the gas law for each component are derived directly from an entropy production inequality by assuming that: (1) Constitutive functions depend on the mass densities, the diffusion velocities, the temperature and its gradient only. (2) Phenomenological coefficients appearing in an extra entropy flux are material constants. (3) The internal energy density per unit mass is independent of the total mass density (Joule).

• Fire Science and Engineering
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• v.29 no.2
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• pp.39-43
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• 2015

The flash point is the major property to characterize fire and explosion hazard of liquid mixtures. The flash point is the lowest temperature at which a liquid gives off enough vapor to form a flammable air-vapor mixture. The flash points of two aqueous mixtures, water-methanol and water-ethanol, were measured using Seta flash closed cup tester. A prediction method based on activity coefficient models, Wilson and UNIQUAC equations, was used to calculate the flash point. The calculated flash points were compared to the results by the calculating method using Raoult's law. The calculated values based on activity coefficients models were found to be better than those based on the Raoult's law.

• Fire Science and Engineering
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• v.32 no.1
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• pp.1-6
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• 2018

The flash point is one of the most important parameters used to characterize the ignition and explosion hazards of liquids. Flash points were measured for several binary systems containing toluene, including {methanol+toluene}, {ethanol+toluene}, and {1-propanol+toluene}. Experiments were performed according to the standard test method using a SETA closed cup flash point tester. The measured flash points were compared with the predicted values calculated using the following $G^E$ models: Wilson, NRTL, and UNIQUAC. The average absolute deviation between the predicted and measured lower flash point was less than 1.69 K.

• Journal of the Korean Institute of Gas
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• v.12 no.3
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• pp.50-55
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• 2008

The flash points for the systems, ethlybenzene+n-butanol and ethlybenzene+n-hexanol, were measured by using Tag open-cup tester (ASTM D1310-86). These binary mixtures exhibited MFPB (minimum flash point behavior), which leads to the minimum on the flash point vs composition curve. The experimental data were compared with the values calculated by the Raoult's law, the UNIQUAC equation and the NRTL equation. The calculated values based on the UNIQUAC and NRTL equations were found to be better than those based on the Raoult's law. It was concluded that the UNIQUAC and NRTL equations were more effective than the Raoult' law at describing the activity coefficients for nonideal solution such as the ethlybenzene+n-butanol and ethlybenzene+n-hexanol systems. And the predictive curve of the flash point prediction model based on the NRTL equation described the experimentally-derived data more effectively than was the case when the prediction model was based upon the UNIQUAC equation.