Perturbed Chain-Statistical Associating Fluid Theory Extended to Dipolar and Quadrupolar Molecular Fluids

摘要: The perturbed chain statistical associating fluid theory (PC-SAFT) is extended to polar molecular fluids, namely dipolar and quadrupolar fluids. extension based on the perturbation for fluids by Stell co-workers. Appropriate expressions are proposed dipole−dipole, quadrupole−quadrupole, dipole−quadrupole interactions. Furthermore, induced dipole interactions calculated explicitly in model. new PC-SAFT model relatively complex; this purpose, a truncated using only leading term polynomial expansion used calculation of thermodynamic properties various pure In all cases, agreement between experimental data predictions very good.