화학공학소재연구정보센터
Industrial & Engineering Chemistry Research, Vol.43, No.17, 5380-5388, 2004
Nonideal solution limitations to the use of quadrature in some differential phase equilibrium computations
This paper demonstrates that the use of quadrature to designate pseudocomponents of continuous systems in solid-fluid phase equilibrium computations can lead to results that would be inconsistent with what one would expect from actual (more continuous) descriptions. Differential distillation (liquid + vapor) and differential crystallization (liquid + solid) computations are performed using two compositional representations: (1) a 94-component integer mixture of n-paraffinic species and (2) a 12-component quadrature representation of the same n-paraffinic mixture. Results for the differential distillation process do not vary significantly between the two representations; however, corresponding results for the differential crystallization process are dramatically different. Computations suggest that strong nonideality in a mixture phase can render its pseudocomponent description inadequate, leading to unrealistic results when that phase equilibrates with another.