New Equation of State for Polymer Solutions Based on the Statistical Associating Fluid Theory (SAFT)−Dimer Equation for Hard-Chain Molecules

2007 ◽  
Vol 46 (17) ◽  
pp. 5766-5774 ◽  
Author(s):  
Aleksandra Dominik ◽  
Shekhar Jain ◽  
Walter G. Chapman
Keyword(s):  
Equation Of State ◽  
Polymer Solutions ◽  
Statistical Associating Fluid Theory ◽  
Chain Molecules ◽  
Fluid Theory ◽  
New Equation

Statistical associating fluid theory for chain molecules with attractive potentials of variable range

1997 ◽  
Vol 106 (10) ◽  
pp. 4168-4186 ◽  
Author(s):  
Alejandro Gil-Villegas ◽  
Amparo Galindo ◽  
Paul J. Whitehead ◽  
Stuart J. Mills ◽  
George Jackson ◽  
...  
Keyword(s):  
Statistical Associating Fluid Theory ◽  
Chain Molecules ◽  
Variable Range ◽  
Fluid Theory

A new equation of state for hard chain molecules

1994 ◽  
Vol 100 (9) ◽  
pp. 6633-6639 ◽  
Author(s):  
Dhananjay Ghonasgi ◽  
Walter G. Chapman
Keyword(s):  
Equation Of State ◽  
Chain Molecules ◽  
New Equation

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.

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