A METHOD FOR PHASE EQUILIBRIUM CALCULATIONS BASED ON GENERALIZED BENEDICT-WEBB-RUBIN CONSTANTS

A method based on the generalized Benedict-Webb-Rubin equation of state was used to develop the BWR constants for cis-2-butene, 1-pentene, and 1,3-butadiene. This development consisted of three steps. First, the coefficients of the reduced BWR equation of state were determined based on 1-butene and methyl-acetylene, respectively. Second, with the aid of the reduced equations of state, the BWR constants for cis-2-butene, 1-pentene, and 1,3-butadiene were established. Finally, in conjunction with the new constants, a set of temperature-dependent Co's was developed for each substance. This last step assured the accurate prediction of the vapor and liquid fugacities up to the critical point. The new BWR constants were evaluated by calculating the equilibrium constants of these components in mixtures. Predicted values were in excellent agreement with experimental results, indicating the applicability of these constants to phase equilibrium calculations. © 1968, American Chemical Society. All rights reserved.