Determination of Perturbed-Chain Statistical Association Fluid Theory Parameters for Pure Substances, Single Carbon Number Groups, and Petroleum Fractions Using Cubic Equations of State Parameters

Abstract

A new-generation equation of state, perturbed-chain statistical association fluid theory (PC-SAFT), has attracted much attention to modeling the phase behavior of fluids using molecular-based equations of state. A set of three pure component parameters is needed for non-associative compounds, conventionally determined by fitting vapor pressure and liquid density data simultaneously. Unfortunately, experimental data are scarce, and the number of pure substances is too large. Thus, it is indispensable for developing predictive methods to determine the pure component parameters. In the present paper, a new model has been developed to estimate PC-SAFT parameters for different pure components, single carbon number (SCN) groups, and petroleum fractions through the connection established between classical and molecular corresponding states theories and creating a relationship between cubic equation-of-state parameters (critical pressure, critical temperature, and acentric factor) and PC-SAFT parameters. Accordin...