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Received September 9, 2004
Accepted November 12, 2004
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회합성 유체의 상태방정식 및 회합성 유체 혼합물의 기-액 평형
An Equation of State for Associating Fluids and Vapour-Liquid Equilibria of Associating Mixtures
강원대학교 화학공학과, 200-701 강원도 춘천시 효자2동 192-1
Department of Chemical Engineering, Kangwon National University, 192-1, Hyoja-2 dong, Chunchon 200-701, Korea
kichang@kangwon.ac.kr
Korean Chemical Engineering Research, December 2004, 42(6), 673-683(11), NONE Epub 11 January 2005
Abstract
본 연구에서는 회합성 유체에 적용 가능한 상태방정식을 모델링하기 위하여 3차 상태방정식인 Peng-Robinson식에 SAFT 모델의 회합 항을 결합한 셩태의 PRPA 상태방정식(Peng-Robinson-Plus-Association EoS)을 정의하였으며, 이 상태방정식은 회합성 유체의 경우 파라미터의 수는 5개이고 유체의 부피에 대하여는 비 3차(non-cubic)의 관계를 갖는다. 본 연구의 상태방정식을 회합성 유체인 알코올, 아민, 유기산 및 물 등의 화합물의 PVT 데이터에 적용하여 5개의 순 성분 파라미터를 추진하였으며 또한 추산된 파라미터 값의 분포를 화학종 별로 분석하여 상태방정식의 파라미터를 3개로 줄일 수 있었다. 본 연구의 5-파라미터 및 3-파라미터의 상태방정식 관계는 모두 회합성 유체의 포화증기압 및 액체 몰부피의 예측에 양호한 결과를 보였다. 한편, 본 연구의 상태방정식 관계를 이용하여 회합성 유체의 혼합물인 알코올/알코올, 알코올/아민, 알코올/유기산 및 알코올/물 계의 기액 평형을 계산하였으며, 계산 결과는 공비 혼합물인 ethanol/water 계를 제외한 모든 계에서 양호한 결과를 보였다.
The equation of state which combines Peng-Robinson EoS and the association term of SAFT model was presented for describing thermodynamic properties and phase behaviors of associating fluids. The resulting EoS(Peng-Robinson-Plus-Association) is not cubic with respect to volume and contains five pure compound parameters. 5-parameters of pure chemical compounds were estimated with correlations of both saturated vapour pressures and liquid volumes for alcohols, primary amines, carboxyl acids and water. A method to reduce the number of adjustable pure compound parameters from five to three was considered, and then the 3-parameters EoS model was obtained. This 3-parameter model maintained the good correlations of saturated vapour pressures and liquid volumes. Additionally the equation of state proposed in this work was applied to calculations of vapour-liquid equilibria for the binary mixtures containing associating chemicals, the result showed a good agreement with experimental data for all binary mixtures except for the ethanol/water system, examined in this work.
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Kraska T, Gubbins KE, Ind. Eng. Chem. Res., 35(12), 4727 (1996)
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Economou IG, Donohue MD, Ind. Eng. Chem. Res., 31(10), 2388 (1992)
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