Application of hard-core Exponential-6 intermolecular potential function to determine the second osmotic virial coefficients of polymer solutions

Polar Hard-Core Exponential-6 Intermolecular Potential Function for Determining the Thermodynamic Properties of Polar Gases

“…Our previous investigations indicated that because of the choice of the exponential form for the repulsion term of the potential function, and furthermore, by considering a hard core for the molecules, the hard-core Exp-6 model has superiority over other potential functions such as the Lennard-Jones, Kihara, and Exp-6 models. 6,7 However, the hard-core Exp-6 model is suitable for nonpolar and slightly polar molecules. 6 For polar substances, in addition to the repulsive and attraction terms, in this work, an additional term is added to the hard-core Exp-6 model in order to consider the permanent dipole−dipole moments of the polar molecules.…”

“…In this equation, “ a ” is the hard-core diameter and “ s ” shows the steepness of the repulsive wall of the potential function. Our previous investigations indicated that because of the choice of the exponential form for the repulsion term of the potential function, and furthermore, by considering a hard core for the molecules, the hard-core Exp-6 model has superiority over other potential functions such as the Lennard-Jones, Kihara, and Exp-6 models. , However, the hard-core Exp-6 model is suitable for nonpolar and slightly polar molecules …”

“…7 The results showed that the hard-core Exp-6 model is more accurate than the Kihara and Exp-6 potential functions. 7 This superiority of the hard-core Exp-6 model over the Kihara and Exp-6 models is due to the exponential form for the repulsion term and also a hard core for each molecule. Sandouqa et al 8 studied two Kr−Kr potentials 8−10 for determining the second virial coefficient of krypton from very low to high temperatures (0.01−700 K).…”

“…Peyrovedin and Shariati modified the Exp-6 model by considering a hard core for the molecules and showed that considering a hard core for the molecules improves the accuracy of the Exp-6 model. The application of the hard-core Exp-6 model for calculating the second osmotic virial coefficients of polymer solutions was recently examined and compared to the Kihara and Exp-6 potential functions . The results showed that the hard-core Exp-6 model is more accurate than the Kihara and Exp-6 potential functions .…”

“…The application of the hard-core Exp-6 model for calculating the second osmotic virial coefficients of polymer solutions was recently examined and compared to the Kihara and Exp-6 potential functions . The results showed that the hard-core Exp-6 model is more accurate than the Kihara and Exp-6 potential functions . This superiority of the hard-core Exp-6 model over the Kihara and Exp-6 models is due to the exponential form for the repulsion term and also a hard core for each molecule.…”