Abstract
By adding an orientational free-energy term based on Maier−Saupe theory to the statistical associating fluid theory (SAFT) equation, we have developed a versatile equation of state for describing the phase behavior of carbonaceous pitches, a polydisperse class of discotic nematic liquid-crystalline materials that exhibits both thermotropic and lyotropic behavior. SAFT−liquid crystal (SAFT−LC) can be used to describe the phase behavior of carbonaceous pitches both at conditions where orientational effects are relatively minor (i.e., isotropic liquid−liquid equilibria in the presence of solvent) and at conditions where such effects dominate (e.g., the effect of pitch composition on the isotropic/nematic phase transition). SAFT−LC contains five well-behaved, adjustable parameters: three in SAFT for defining the binary interaction parameters and two in LC for describing the clearing temperature of a pitch pseudocomponent. Predictions of SAFT−LC for phase densities, product yields, and mesophase percentages o...
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