scholarly journals A global investigation of phase equilibria using the perturbed-chain statistical-associating-fluid-theory approach

2005 ◽  
Vol 123 (1) ◽  
pp. 014908 ◽  
Author(s):  
Leonid Yelash ◽  
Marcus Müller ◽  
Wolfgang Paul ◽  
Kurt Binder
Keyword(s):  
Phase Equilibria ◽  
Theory Approach ◽  
Statistical Associating Fluid Theory ◽  
Fluid Theory

Phase Equilibria for CO2-Ethanol Mixtures by Perturbed-Chain Statistical Associating Fluid Theory

2013 ◽  
Vol 411-414 ◽  
pp. 2979-2982
Author(s):  
Song Po Yang ◽  
Hong Mei Wang ◽  
Dong Fu
Keyword(s):  
Phase Equilibria ◽  
Triple Point ◽  
Binary Interaction ◽  
Statistical Associating Fluid Theory ◽  
Influence Of Temperature ◽  
Point Pressure ◽  
Binary Interaction Parameters ◽  
Fluid Theory ◽  
Temperature And Pressure ◽  
Vapor Liquid Equilibria

The perturbed-chain statistical associating fluid theory (PC-SAFT) is used to correlate and predict the phase equilibria and the triple point pressure of CO2 and ethanol binary mixtures. The binary interaction parameters (kij) are regressed by fitting to the experimental data of mixtures. The vapor-liquid equilibria and liquid-liquid equilibria of the mixtures are investigated and the influence of temperature and pressure on the phase equilibria and the triple point pressures is demonstrated. Our results show that the pressure dependent kij can describe the phase equilibria of CO2- ethanol mixtures quantitatively well.

scholarly journals Modelling of Diesel fuel properties through its surrogates using Perturbed-Chain, Statistical Associating Fluid Theory

2018 ◽  
Vol 21 (7) ◽  
pp. 1118-1133 ◽  
Author(s):  
Alvaro Vidal ◽  
Carlos Rodriguez ◽  
Phoevos Koukouvinis ◽  
Manolis Gavaises ◽  
Mark A McHugh
Keyword(s):  
Equation Of State ◽  
Diesel Fuel ◽  
Group Contribution ◽  
Operating Conditions ◽  
Fuel Properties ◽  
Liquid Density ◽  
Theory Approach ◽  
Statistical Associating Fluid Theory ◽  
Diesel Fuels ◽  
Fluid Theory

The Perturbed-Chain, Statistical Associating Fluid Theory equation of state is utilised to model the effect of pressure and temperature on the density, volatility and viscosity of four Diesel surrogates; these calculated properties are then compared to the properties of several Diesel fuels. Perturbed-Chain, Statistical Associating Fluid Theory calculations are performed using different sources for the pure component parameters. One source utilises literature values obtained from fitting vapour pressure and saturated liquid density data or from correlations based on these parameters. The second source utilises a group contribution method based on the chemical structure of each compound. Both modelling methods deliver similar estimations for surrogate density and volatility that are in close agreement with experimental results obtained at ambient pressure. Surrogate viscosity is calculated using the entropy scaling model with a new mixing rule for calculating mixture model parameters. The closest match of the surrogates to Diesel fuel properties provides mean deviations of 1.7% in density, 2.9% in volatility and 8.3% in viscosity. The Perturbed-Chain, Statistical Associating Fluid Theory results are compared to calculations using the Peng–Robinson equation of state; the greater performance of the Perturbed-Chain, Statistical Associating Fluid Theory approach for calculating fluid properties is demonstrated. Finally, an eight-component surrogate, with properties at high pressure and temperature predicted with the group contribution Perturbed-Chain, Statistical Associating Fluid Theory method, yields the best match for Diesel properties with a combined mean absolute deviation of 7.1% from experimental data found in the literature for conditions up to 373°K and 500 MPa. These results demonstrate the predictive capability of a state-of-the-art equation of state for Diesel fuels at extreme engine operating conditions.

Phase Equilibria and Surface Tensions for MDEA, DEA and their Aqueous Solutions

2013 ◽  
Vol 781-784 ◽  
pp. 2554-2559
Author(s):  
Song Tao Liu ◽  
Li Guang Qin ◽  
Dong Fu
Keyword(s):  
Experimental Data ◽  
Aqueous Solutions ◽  
Phase Equilibria ◽  
Gradient Theory ◽  
Surface Tensions ◽  
Statistical Associating Fluid Theory ◽  
Molecular Parameters ◽  
Fluid Theory ◽  
Influence Parameter ◽  
Density Gradient Theory

The phase equilibira and surface tensions of N-methyldiethanolamine (MDEA), diethanolamine (DEA) and their aqueous solutions were investigated by using the perturbed-chain statistical associating fluid theory (PC-SAFT) and density-gradient theory (DGT). The molecular parameters and influence parameter were respectively regressed by fitting to the experimental data of phase equilibria and surface tensions of pure fluids. With the molecular parameters and influence parameter as input, the surface tensions of MDEA, DEA and their aqueous solutions were correlated satisfactorily.

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