화학공학소재연구정보센터
Industrial & Engineering Chemistry Research, Vol.45, No.24, 8199-8206, 2006
Investigation of critical properties and surface tensions for n-alkanes by perturbed-chain statistical associating fluid theory combined with density-gradient theory and renormalization-group theory
The perturbed-chain statistical associating fluid theory (PC-SAFT) and density-gradient theory (DGT) are used to construct an equation of state (EOS) applicable for nonuniform fluids. In the bulk phases, the nonuniform EOS reduces to PC-SAFT and the phase equilibria inside the critical region are calculated by combining the renormalization-group theory (RGT). In the vapor-liquid surface, the density profile, surface thickness, and surface tension are calculated by using the nonuniform EOS with the equilibrium bulk properties as input. Investigation shows that PC-SAFT is able to provide accurate critical properties by combining the RGT and correlating the surface tensions for both the light and heavy n-alkanes satisfactorily by combining the DGT.