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Application of Multi Fluid Nanrandom Lattice Fluid Model to Complex Systems. 열역학 물성 연구회 2004 년 1 월 29 일 신헌용 서울산업대학교 화학공학과. Historical Background of MF-NLF-HB EOS. NLF EOS Fluid Phase Equilibria, 93, 193(1994): 93, 215(1994):
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Application of Multi Fluid Nanrandom Lattice Fluid Model to Complex Systems 열역학 물성 연구회 2004년 1월 29일 신헌용 서울산업대학교 화학공학과
Historical Background of MF-NLF-HB EOS NLF EOS Fluid Phase Equilibria, 93, 193(1994): 93, 215(1994): 95, 2773(1995): 151, 191-198 (1998) J. of Supercritical Fluids (1993, 1995) Int. J. of Thermodynamics (1995) etc. NLF-HB EOS Fluid Phase Equilibria, 158, 143-149, (1999) Fluid Phase Equilibira, 4883, 1-9 (2001) MF-NLF EOS Bull. of Korea Chem. Soc.18, 841-850 (1997): 18, 965-872 (1997) Fluid Phase Equilibria, 150-151, 191 (1998), etc MF-NLF-HB EOS J. of Supercritical Fluids, 189, 49-61. (2001) Korean J. Chem. Eng. 20, 911-915 (2003)
The NLF-HB Equation of State The MF-NLF-HB Equation of State
Liquid Liquid Equilibiria of Polymer Solutions • -LLE of high Pressure • -LLE of high molecular weight component • High Pressure VLE of hydrogen bonding components • -water + hydrocarbon systems • -critical loci
Liquid-Liquid Equilibria (LLE) : Binodal composition : Spinodal composition : Phase split Three Different Types of chemical potentials as a function of composition in Liquid-Liquid Equilibria
Fig. Chemical Potential of each component as a function of composition in a binary system where phase splitting occurs
Binary parameters and error % for liquid-liquid equilibria of polymer solution
Fig. Calculated and experimental temperature-pressure-volume relations of PIB.
High Pressure VLE -water + hydrocarbon systems (near critical region) -critical loci Pure Parameter Estimation • Previous Method Pure component below its critical point • Liquid densities and vapor pressures were usedfor each Isotherm • New Method • Determined volume parameter at its critical point • (2) Energy parameters were obtained from experimental vapor • pressure data for each isotherm
V* Fig. Phase behavior of water + decane system
물+탄화수소계 상거동
Table. Binary parameters and average deviation for the MF-NLF-HB EOS X = Y =
Critical Loci of water + hydrocarbon system Binary Interaction Parameters of MF-NLF EoS
Fig. Three dimensional phase diagram of water+decane system. A: vapor pressure of decane; B: vapor pressure of water; C, D : critical loci; E1 : gas-liquid equilibria at 580 K; E2 : gas-liquid and liquid-liquid equilibria at 580 K; F1: gas-liquid equilibria at 634 K; F2 : liquid-liquid equilibria at 634 K; G: liquid-liquid equilibria at 700 K
Fig.. Critical loci of water + ethylbenzene system (kij= 0.22)
Fig. Critical loci of water + 1-methylnaphthalene system (kij= 0.22)
Concluding Remarks • Good results for high pressure LLE of polymer solutions • were obtained • New pure parameter estimation method was applied • for near critical VLE of water + hydrocarbon systems