• Title/Summary/Keyword: UNIQUAC model

Search Result 12, Processing Time 0.024 seconds

The Measurement and Estimation of Minimum Flash Point Behavior for Binary Mixtures Using Tag Open-Cup Tester (Tag 개방식 장치를 이용한 이성분계 혼합물의 최소인화점 현상의 측정 및 예측)

  • Ha, Dong-Myeong;Lee, Sung-Jin
    • Journal of the Korean Institute of Gas
    • /
    • v.12 no.3
    • /
    • pp.50-55
    • /
    • 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.

  • PDF

The Measurement and Estimation of Lower Flash Points for n-Propanol+Acetic acid and n-Propanol+n-Propionic Systems (n-Propanol+acetic acid 및 n-propanol+n-propionic acid 계의 하부 인하점 측정 및 예측)

  • Ha, Dong-Myeong;Lee, Sung-Jin
    • Journal of the Korean Society of Safety
    • /
    • v.22 no.4
    • /
    • pp.37-42
    • /
    • 2007
  • Flash points for the flammable binary systems, n-propanol+acetic acid and n-propanol+n-propionic acid, were measured by Cleveland open cup tester. The Raoult's law, the van Laar equation and the UNIQUAC equation were used for predicting flash points and were compared with experimentally-derived data. The calculated values based on the van Laar and UNIQUAC equations were found to be better than those based on the Raoult's law. And the predictive curve of the flash point prediction model based on the UNIQUAC equation described the experimentally-derived data more effectively than was the case when the prediction model was based upon the the van Laar equation.

Optimization of Extended UNIQUAC Parameter for Activity Coefficients of Ions of an Electrolyte System using Genetic Algorithms

  • Hashemi, Seyed Hossein;Dehghani, Seyed Ali Mousavi;Khodadadi, Abdolhamid;Dinmohammad, Mahmood;Hosseini, Seyed Mohsen;Hashemi, Seyed Abdolrasoul
    • Korean Chemical Engineering Research
    • /
    • v.55 no.5
    • /
    • pp.652-659
    • /
    • 2017
  • In the present research, in order to predict activity coefficient of inorganic ions in electrolyte solution of a petroleum system, we studied 13 components in the electrolyte solution, including $H_2O$, $CO_2$ (aq), $H^+$, $Na^+$, $Ba^{2+}$, $Ca^{2+}$, $Sr^{2+}$, $Mg^{2+}$, $SO_4$, $CO_3$, $OH^-$, $Cl^-$, and $HCO_3$. To predict the activity coefficient of the components of the petroleum system (a solid/liquid equilibrium system), activity coefficient model of Extended UNIQUAC was studied, along with its adjustable parameters optimized based on a genetic algorithm. The total calculated error associated with optimizing the adjustable parameters of Extended UNIQUAC model considering the 13 components under study at three temperature levels (298.15, 323.15, and 373.15 K) using the genetic algorithm is found to be 0.07.

A Study on the Recovery of Acetonitrile in the Process of Acrylonitrile (Acrylonitrile 제조공정에서 Acstonitrile의 회수에 관한 연구)

  • Lee, Jin-Woo;Park, Dong-Won
    • Applied Chemistry for Engineering
    • /
    • v.5 no.6
    • /
    • pp.1016-1023
    • /
    • 1994
  • In process of manufacturing acrylonitrile azeotrope of acetonitrile-water was come into being as by-product. For the purpose of recovering acetonitrile through solvent extraction process benzene, toluene, o-xylene, ethylacetate and monochlorobenzene as solvents were selected in order to separate acetonitrile from azeotrope of acetonitrile-water. In this study liquid-liquid equilibrium data were determined and consistency of the experimental data was investigated. The tie line and plait point for solvent(1)-water(2)-acetonitrile(3) system were determined at $25^{\circ}C$. The parameters in the NRTL, UNIQUAC and modified UNIQUAC model were predicted, distribution coefficient and selectivity of each solvent were determined respectively.

  • PDF

The Measurement and Prediction of Minimum Flash Point Behaviour for Flammable Binarry Solution Using Pensky-Martens Closed Cup Tester

  • Ha, Dong-Myeong;Choi, Yong-Chan;Lee, Sung-Jin
    • International Journal of Safety
    • /
    • v.9 no.2
    • /
    • pp.6-10
    • /
    • 2010
  • The flash point of liquid solution is one of the most important flammability properties that used in hazard and risk assessments. Minimum flash point behaviour (MFPB) is showed when the flash point of a liquid mixture is below the flash points of the individual components. In this paper, the lower flash points for the flammable binary system, n-decane+n-octanol, were measured by Pensky-Martens closed cup tester. This binary mixture exhibited MFPB. The measured flash points were compared with the values calculated by the Raoult's law and the optimization method using van Laar and UNIQUAC equations. The optimization method were found to be better than those based on the Raoult's law, and successfully estimated MFPB. The opimization method based on the van Laar equation described the experimentally-derived data more effectively than was the case when the prediction model was based upon the UNIQUAC.

The Measurement of Flash Point for Unflammable-Flammable Binary Mixtures(CCl4+o-Xylene and CCl4+p-Xylene) Using Open Cup Tester (개방식 장치를 이용한 난연성-가연성 이성분계 혼합물(CCl4+o-Xylene and CCl4+p-Xylene)의 인화점 측정)

  • Kim, Chang-Seob;Lee, Sungjin;Ha, Dong-Myeong
    • Journal of Energy Engineering
    • /
    • v.24 no.4
    • /
    • pp.18-23
    • /
    • 2015
  • The flash point is used to categorize inflammable liquids according to their relative flammability. The flash point is important for the safe handling, storage, and transportation of inflammable liquids. The flash point temperature of two binary liquid mixtures($CCl_4+o-xylene$ and $CCl_4+p-xylene$) has been measured for the entire concentration range using Tag open cup tester. The flash point temperature was estimated using Raoult's law, UNIQUAC model and empirical equation. The experimentally derived flash point was also compared with the predicted flash point. The empirical equation is able to estimate the flash point fairly well for $CCl_4+o-xylene$ and $CCl_4+p-xylene$ mixture.

Binary Vapor-Liquid Equilibria and Ternary Liquid-Liquid Equilibria for NMF Contained Systems (NMF를 포함하는 이성분계의 등온 기-액 평형과 삼성분계 액-액 평형)

  • Park, So-Jin;Han, Kyu-Jin;Won, Dong-Bok;Oh, Jong-Hyeok;Choi, Young-Yoon
    • Korean Chemical Engineering Research
    • /
    • v.43 no.2
    • /
    • pp.259-265
    • /
    • 2005
  • Binary isothermal vapor-liquid equilibrium(VLE) data were measured for water+n-methylformamide(NMF), benzene+NMF and toluene+NMF systems by using headspace gas chromatography(HSGC) at 353.15K. Additionally, the ternary liquid-liquid Equilibrium(LLE) data were determined by measuring of tie-line for the systems of NMF+benzene+n-heptane and NMF+toluene+n-heptane at 298.15 K. The measured isothermal binary VLE data have no azeotropes and were correlated well with $g^E$ model equations of Margules, van Laar, Wilson, NRTL and UNIQUAC. The experimental ternary tie line data were also correlated well with NRTL and UNIQUAC models. Besides their accuracy was analyzed by Hirata-Fujita and Maior-Swenson equations.

Excess Molar Enthalpies and Excess Molar Volumes for the Binary Mixtures {1,2-dichloropropane+2-(2-methoxyethoxy)ethanol, and +2-(2-ethoxyethoxy)ethanol} at 298.15 K (2성분계 {1,2-dichloropropane+2-(2-methoxyethoxy)ethanol 및 + 2-(2-ethoxyethoxy)ethanol}에 대한 298.15 K에서의 과잉몰엔탈피 및 과잉몰부피)

  • Kim, Jaewon;Kim, Moongab
    • Korean Chemical Engineering Research
    • /
    • v.44 no.5
    • /
    • pp.444-452
    • /
    • 2006
  • This paper reports experimental excess molar volumes $V^E_m$ using a digital vibrating-tube densimeter and excess molar enthalpies $H^E_m$ by means of an isothermal microcalorimeter with a flow mixing cell for the binary mixtures{1,2-dichloropropane + 2-(2-methoxyethoxy)ethanol} and {1,2-dichloropropane + 2-(2-ethoxyethoxy)ethanol} at 298.15 K under atmospheric pressure. All the $V^E_m$ and $H^E_m$ of the two binary mixtures showed S-shaped forms, being negative for poor and positive for rich 1,2-dichloropropane mole fractions. These show that the excess properties were shown to be negative deviation from ideality due to the strong self-association effect among 2-(2-alkoxyethoxy)ethanol molecules at an early stage of mixing, a relatively high energy then is needed to break hydrogen bonds of 2-(2-alkoxyethoxy)ethanol with an increase ofhalogenated hydrocarbon molecular at high mole fraction of 1,2-dichloropropane. The values of excess molar properties($V^E_m$ and $H^E_m$) were fitted by the Redlich-Kister equation using Nelder-Mead's simplex pattern search method. The Wilson, NRTL, and UNIQUAC models were used to correlate the $H^E_m$ values.

Phase Equilibrium of Binary Mixture for the (propylene oxide + 1-pentanol) System at Several Temperatures

  • Kim, Jeong-lae;Kim, Hakmin;Park, Su In;An, Gyu Min;Kim, Min Gi;Shin, Moon Sam
    • Korean Chemical Engineering Research
    • /
    • v.57 no.1
    • /
    • pp.73-77
    • /
    • 2019
  • Isothermal (vapor + liquid) equilibrium data measurements were undertaken for the binary mixtures of (propylene oxide + 1-pentanol) system at three different temperatures (303.15, 318.15, and 333.15) K. The Peng-Robinson-Stryjek-Vera equation of state (PRSV EOS) was used to correlate the experimental data. The van der Waals one-fluid mixing rule was used for the vapor phase and the Wong-Sandler mixing rule, which incorporates the non-random two liquid (NRTL) model, the universal quasi-chemical (UNIQUAC) model and the Wilson model, was used for the liquid phase. The experimental data were in good agreement with the correlation results.

Measurements and Correlations of Isobaric Vapor-Liquid Equilibrium for Glycerol-Water Systems (Glycerol-물 계에 대한 등압 기액평형의 측정과 상관관계)

  • Rho, Seon-Gyun;Kang, Choon-Hyoung
    • Applied Chemistry for Engineering
    • /
    • v.8 no.6
    • /
    • pp.893-900
    • /
    • 1997
  • In this study, vapor-liquid equilibria of a binary system, which consists of glycerol and water, are measured using a vaporrecirculating modified Othmer still at various subatmospheric pressures. The constituent components of the binary system considered in this study exhibit a large difference in the boiling temperatures. Since it is generally observed that the properties of a mixture greatly differ from those of the pure components, the phase equilibrium characteristics of a mixture can not be predicted from the properties of the pure components. Furthermore, an abrupt increase in the boiling temperature occurs as the concentration of the higher boiling component exceeds a certain value. Therefore, it is essential to acquire realistic phase equilibrium data of the mixture for industrial applications. Using the UNIQUAC model, the experimental vapor-liquid equilibrium data are correlated with good accuracy. The thermodynamic consistency test is also performed to ensure soundness of the data.

  • PDF