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초임계기체 상평형계산에 국소몰조성 모델의 응용

Application of Local Mole Composition Model to the Prediction of Phase Equilibria in Supercritical State

HWAHAK KONGHAK, October 1989, 27(5), 698-703(6), NONE
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Abstract

초임계상태에 있는 이산화탄소-난휘발성의 유기물질과 같은 극단적인 비대칭의 혼합물과 보통압력상태에 있는 극성-극성, 극성-비극성혼합물의 상평형 관계를 Patel-Teja의 상태방정식을 이용하여 계산하기 위하여 van der Waals의 1-fluid mixing rule을 사용할 때의 압력, 기상조성의 추산값과 Wilson형의 국소몰분율을 혼합법칙에 이용할 때의 추산값을 실험값과 비교하였다. 본 연구에서 취급한 대부분의 혼합물에 대하여 종래의 비극성혼합물에 적용하던 quadratic mixing rule 보다 국소몰분율을 혼합법칙에 사용하는 것이 우수한 추산값을 나타내었다.
The phase equilibria for the systems of carbon dioxide-organic substances which are quite unsym-metric mixtures at supercritical state, polar-polar mixtures and polar-nonpolar mixtures under moderate pressure are predicted by using Patel-Teja equation of state with two different mixing rules; One is the 1-fluid quadratic mixing rule by van der Waals, that is usually applied to nonpolar mixtures, and the other is the mixing rule based on Wilson’s local mole composition model. The predicted pressure and vapor composition by using the equation of state with local composition mixing rule are in better agreement with the observed data from literature, comparing with the quadratic mixing rule.

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