Development and extension of PSRK/UNIQUAC model to methane and nitrogen gases
Fluid Phase Equilibria, 1998Abstract Two successful procedures for matching the equation of state (EOS) and the excess Gibbs energy model at zero pressure belong to Michelsen [M.L. Michelsen, Fluid Phase Equilibria, 60 (1990) 213] and Holderbaum-Gmehling [T. Holderbaum, J. Gmehling, Fluid Phase Equilibria, 70 (1991) 251]. These procedures lead to volume independent mixing rules
A. Keshtkar, F. Jalali, M. Moshfeghian
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Abstract The extended UNIQUAC model [K. Thomsen, P. Rasmussen, Chem. Eng. Sci. 54 (1999) 1787–1802] was applied to the thermodynamic representation of carbon dioxide absorption in aqueous monoethanolamine (MEA), methyldiethanolamine (MDEA) and varied strength mixtures of the two alkanolamines (MEA–MDEA).
Leila Faramarzi +3 more
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Modeling of Carbon Dioxide Absorption by Aqueous Ammonia Solutions Using the Extended UNIQUAC Model
Industrial & Engineering Chemistry Research, 2010An upgraded version of the extended UNIQUAC thermodynamic model for the carbon dioxide−ammonia−water system has been developed, on the basis of the original version proposed by Thomsen and Rasmussen (Chem. Eng. Sci. 1999, 54, 1787). The original model was valid in the temperature range 0−110 °C, the pressure range 0−10 MPa, and the concentration range ...
Victor Darde +3 more
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Calculation of infinite dilution activity coefficients by the NRTL and UNIQUAC models
The Canadian Journal of Chemical Engineering, 1990AbstractInfinite dilution activity coefficients have been calculated for 42 binary systems using the NRTL and UNIQUAC models. Temperature dependent parameters of the models are used in the calculations. These parameters have been estimated by using excess Gibbs free energy and enthalpy of mixing data simultaneously.
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Molecular solvent design for liquid–liquid extraction using the UNIQUAC model
Fluid Phase Equilibria, 1999Abstract In this work molecular solvent design for liquid–liquid extraction using a chemical graphics system is presented. Solvent structures are generated according to specified combinatorial rules and the screening of the solvent is performed using the UNIQUAC model where the required molecular interaction parameters are directly obtained from a ...
A.-H Meniai, D.M.T Newsham
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Calculation of enthalpy of mixing at infinite dilution by the nrtl and uniquac models
Thermochimica Acta, 1990Abstract Enthalpies of mixing at infinite dilution have been calculated for 42 binary systems of liquid mixtures using the NRTL and UNIQUAC models. Temperature-dependent parameters of the models are used in the calculations. These parameters have been estimated by regressing excess Gibbs energy, gE, and enthalpy of mixing, hE, data simultaneously ...
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Prediction of the melting behavior of edible fats using UNIFAC and UNIQUAC models
Fluid Phase Equilibria, 2019Abstract Algorithms for solid-liquid equilibrium (SLE) calculations are essential tools for describing physical properties of food systems and for developing formulations of new food products. In this work, SLE was applied to describe the melting behavior of edible fats of relevance to the food industry.
Ericsem Pereira +3 more
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Modeling of CO2 solubility in pyridinium-based ionic liquids using UNIQUAC
AIP Conference Proceedings, 2016Reliable predictive methods for estimating experimental results over wide range of operating conditions are useful and highly desirable. In this paper, the solubility of CO2 in 1-butylpyridinium bis(trifluoromethylsulfonyl)imide, [C4py][Tf2N] and 1-dodecylpyridinium bis(trifluoromethylsulfonyl)imide, [C12py][Tf2N] ionic liquids have been measured ...
Normawati M. Yunus +3 more
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Evaluation of the thermodynamic models UNIQUAC and UNIFAC using artificial neural networks
Proceedings of 1993 International Conference on Neural Networks (IJCNN-93-Nagoya, Japan), 2005The purpose of this paper is the formulation and implementation of a neural network for the evaluation of the thermodynamic models UNIQUAC and UNIFAC, so that their performance in the calculation of vapor-liquid equilibria, a very important aspect of chemical process design, can be estimated.
L.C. Borges, M. Castier
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Representation of phase equilibria using a modified form of the extended uniquac model
Thermochimica Acta, 1995Abstract Binary infinite-dilution activity coefficients and LLE data for 14 systems (five aqueous systems, five alcohol + hydrocarbon systems, acetonitrile + n -hexane, and three nitroethane + hydrocarbon systems) are simultaneously correlated with a modification of the extended uniquac model, which also reproduces well binary and ternary VLE data
Isamu Nagata, Kaoru Tada
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