간단한 격자유체모델에 의한 고분자용액과 고분자 블랜드의 액체-액체 상거동 연구

신헌용; Hun Yong Shin

HWAHAK KONGHAK, Vol.41, No.6, 717-721, December, 2003

Export Citation

간단한 격자유체모델에 의한 고분자용액과 고분자 블랜드의 액체-액체 상거동 연구

Liquid-Liquid Phase Equilibria of Polymer Solutions and Blends by Simplified Lattice Fluid Model

신헌용 ^†

서울산업대학교 화학공학과, 139-743 서울시 노원구 공릉2동 172

Hun Yong Shin^†

Department of Chemical Engineering, Seoul National University of Technology, 172, Kongneung-2-dong, Nowon-gu, Seoul 139-743, Korea

E-mail:

초록

간단한 형태의 격자모델인 MF-NLF(multi-fluid nonrandom lattice fluid)상태방정식을 이용하여 고분자 용액과 블랜드의 액체-액체 평형(liquid-liquid equilibrium)을 계산하였다. MF-NLF 상태방정식은 비무질서 격자유체이론의 다유체 근사에 기초하여 유도되었으며 순수한 r-mer에 대하여 분자의 크기와 에너지를 나타내는 두 개의 분자 매개변수를 필요로 한다. 액-액 상분리 조성인 바이노달(binodal)조성의 실험값 최적화를 통하여 구한 이성분 매개변수를 이용하여 액-액 상평형 계산을 하였다. 상대적으로 넓은 범위의 온도 영역에서 좋은 계산결과를 얻기 위하여 온도의 존성을 가지는 이성분 매개변수를 이용하였으며, 고분자 용액과 블랜드의 액-액 상평형 실험데이터와 계산 결과가 잘 일치하였다.

Simplified lattice model was extended to calculate LLE (liquid-liquid equilibrium) of polymer solutions and blend. The EOS (equation of state) was derived based on the multi-fluid approximation of the nonrandom lattice fluid theory. The EOS requires two molecular parameters for a pure r-mer which representing molecular sizes and energies. The liquid-liquid phase equilibriums were calculated with the binary parameters which were obtained by optimization of experimental binodal compositions. Temperature dependent binary parameters were used for more good results for wide range of temperatures and pressures. The model gives good correlations for the selected LLE of polymer solutions and blend systems.

Keywords:Lattice Theory;Equation of State;Polymer Solution;Liquid-Liquid Equilibira

[References]

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You SS, Yoo KP, Lee CS, J. Supercrit. Fluids, 6, 69 (1993)
You SS, Yoo KP, Lee CS, Fluid Phase Equilib., 93, 193 (1994)
You SS, Yoo KP, Lee CS, Fluid Phase Equilib., 93, 215 (1994)
Yoo KP, Shin HY, Lee CS, Bull. Korean Chem. Soc., 18(8), 841 (1997)
Yoo KP, Shin HY, Lee CS, Bull. Korean Chem. Soc., 18(9), 965 (1997)
Yoo KP, Shin HY, Lee CS, J. Supercrit. Fluids, 13(1), 55 (1998)
Shin HY, Yoo KP, Lee CS, Tamura K, Arai Y, Korean J. Chem. Eng., 15(1), 15 (1998)
Yoo KP, Lee CS, Korean J. Chem. Eng., 17(3), 257 (2000)
Wilson GM, J. Am. Chem. Soc., 86, 127 (1964)
Zoller P, Walsh DJ, Standard Pressure-Volume-Temperature Data for Polymers, Technomic Pub. Co. Inc. Basel (1995)
Rodgers PA, J. Appl. Polym. Sci., 48, 1061 (1993)
Shin HY, "Generalized Formulation of New Lattice Theory for Phase Equilibria of Complex System," Ph.D. Dissertation, Sogang University, Seoul (1999)
Kleintjens LA, Koningsveld R, Colloid Polym. Sci., 258, 711 (1980)
Lee KJ, Shin HY, Kim HS, Joung SN, Kim SY, Theor. Appl. Chem. Eng., 8(2), 3633 (2002)
Rostami S, Walsh DJ, Macromolecules, 18, 1228 (1985)

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[1] Lee BC, Danner RP, AIChE J., 42(11), 3223 (1996)

[2] Wang W, Tree DA, High MS, Fluid Phase Equilib., 114(1-2), 47 (1996)

[3] Folie B, Radosz M, Ind. Eng. Chem. Res., 34(5), 1501 (1995)

[4] Flory PJ, J. Chem. Phys., 9, 660 (1941)

[5] Flory PJ, Disc. Faraday Soc., 49, 7 (1971)

[6] Huggins ML, J. Phys. Chem., 46, 51 (1942)

[7] Abrams DS, Prausnitz JM, AIChE J., 21, 116 (1975)

[8] Sanchez IC, Lacombe RH, J. Phys. Chem., 80, 2352 (1976)

[9] Sanchez IC, Lacombe RH, J. Phys. Chem., 80, 2568 (1976)

[10] Okada M, Nose T, Polym. J., 13, 399 (1981)

[11] Okada M, Nose T, Polym. J., 13, 591 (1981)

[12] Panayiotou C, Vera JH, Polym. J., 14, 681 (1982)

[13] Kumar SK, Suter UW, Reid RC, Ind. Eng. Chem. Res., 26, 2532 (1987)

[14] You SS, Yoo KP, Lee CS, J. Supercrit. Fluids, 6, 69 (1993)

[15] You SS, Yoo KP, Lee CS, Fluid Phase Equilib., 93, 193 (1994)

[16] You SS, Yoo KP, Lee CS, Fluid Phase Equilib., 93, 215 (1994)

[17] Yoo KP, Shin HY, Lee CS, Bull. Korean Chem. Soc., 18(8), 841 (1997)

[18] Yoo KP, Shin HY, Lee CS, Bull. Korean Chem. Soc., 18(9), 965 (1997)

[19] Yoo KP, Shin HY, Lee CS, J. Supercrit. Fluids, 13(1), 55 (1998)

[20] Shin HY, Yoo KP, Lee CS, Tamura K, Arai Y, Korean J. Chem. Eng., 15(1), 15 (1998)

[21] Yoo KP, Lee CS, Korean J. Chem. Eng., 17(3), 257 (2000)

[22] Wilson GM, J. Am. Chem. Soc., 86, 127 (1964)

[23] Zoller P, Walsh DJ, Standard Pressure-Volume-Temperature Data for Polymers, Technomic Pub. Co. Inc. Basel (1995)

[24] Rodgers PA, J. Appl. Polym. Sci., 48, 1061 (1993)

[25] Shin HY, "Generalized Formulation of New Lattice Theory for Phase Equilibria of Complex System," Ph.D. Dissertation, Sogang University, Seoul (1999)

[26] Kleintjens LA, Koningsveld R, Colloid Polym. Sci., 258, 711 (1980)

[27] Lee KJ, Shin HY, Kim HS, Joung SN, Kim SY, Theor. Appl. Chem. Eng., 8(2), 3633 (2002)

[28] Rostami S, Walsh DJ, Macromolecules, 18, 1228 (1985)