Methods to the prediction of phase behavior: Predicting phase behavior with digital computers

摘要

COMMERCIALLY AVAILABLE digital computing equipment of the punch-card type1,2 permits the expeditious direct application of relatively complex analytical expressions to the evaluation of the conventional thermodynamic properties of pure substances and mixtures. In the case of hydrocarbons, the Benedict equation3,4 is of particular utility in describing the effect of pressure, temperature, and composition upon the thermodynamic properties of a system. However, the complexity of such an expression makes this application time-consuming unless automatic computing equipment is employed. Beattie5 has outlined the general nature of the calculations associated with the evaluation of the thermodynamic properties of homogeneous and heterogeneous systems. These methods apply to pure substances and multicomponent systems alike.