화학공학소재연구정보센터
Journal of Supercritical Fluids, Vol.147, 102-106, 2019
Analytical alpha functions in bulk phase and nanopores
Alpha functions are of critical importance to the cubic equations of state (EOSs) while most existing alpha functions are correlations in the empirical/semi-empirical formulations and limited to the bulk phase calculations. In this study, a new analytical alpha function and its nanoscale-extended formulation, which considers the strong intermolecular interactions under confinement effects, are developed based on the virial EOS and statistical thermodynamics. The proposed alpha functions, coupled with a nanoscale-extended EOS, are validated for a general use and be accurate to calculate the phase and thermodynamic properties of a wide variety of components in bulk phase and nanopores.