CONTINUOUS THERMODYNAMICS FOR POLYMER SOLUTIONS II . LATTICE FLUID MODEL  

CONTINUOUS THERMODYNAMICS FOR POLYMER SOLUTIONS Ⅱ.LATTICE-FLUID MODEL

作　　者：胡英 英徐根 D.T.Wu J.M.Prausnitz 

机构地区：[1]Marshall Laboratory.E.I.Du Pont de Nemours & Company Philadelphia,PA 19146,USA [2]Department of Chemical Engineering,University of California,Berkeley Berkeley,CA 94720,USA

出　　处：《Chinese Journal of Chemical Engineering》1995年第1期14-25,共12页中国化学工程学报（英文版）

摘　　要：Using lattice-fluid model, a continuous thermodynamic framework is presented for phase-equilibrium calculations for binary solutions with a polydisperse polymer solute. A two-step process is designed to form a real polymer solution containing a solvent and a polydisperse polymer solute occupying a volume at fixed temperature and pressure. In the first step, close-packed pure components including solvent and polymers with different molar masses or different chain lengths are mixed to form a closed-packed polymer solution. In the second step, the close-packed mixture, considered to be a pseudo-pure substance is mixed with holes to form a real polymer solution with a volume dependent on temperature and pressure. Revised Freed's model developed previously is adopted for both steps. Besides pure-component parameters, a binary size parameter cr and a binary energy parameter e12 are used. They are all temperature dependent. The discrete-multicomponent approach is adopted to derive expressions for chemical potentials, spinodals and critical points. The continuous distribution function is then used in calculations of moments occurring in those expressions. Computation procedures are established for cloud-point-curve, shadow-curve, spinodal and critical-point calculations using standard distribution or arbitrary distribution on molar mass or on chain length. Illustrative examples are also presented.Using lattice-fluid model,a continuous thermodynamic framework is presented forphase-equilibrium calculations for binary solutions with a polydisperse polymer solute.A two-stepprocess is deslgned to form a real polymer solution containing a solvent and a polydisperse polymersolute occupying a volume at fixed temperature and pressure.In the first step,close-packed purecomponents including solvent and polymers with different molar masses or different chain lengths aremixed to form a closed-packed polymer solution.In the second step,the close-packed mixture,con-sidered to be a pseudo-pure substance is mixed with holes to form a real polymer solution with a vol-ume dependent on temperature and pressure.Revised Freed’s model developed previously is adoptedfor both steps.Besides pure-component parameters,a binary size parameter c_r and a binary energyparameter ε₁₂ are used.They are all temperature dependent.The discrete-multicomponent approach isadopted to derive expressions for chemical potentials。

关 键 词：continuous thermodynamics polymer SOLUTION polydispersity lattice-fluid model CLOUD-POINT CURVE shadow CURVE SPINODAL upper-critical-solution temperatures lower-critical-solution temperature. 

分 类 号：O631.4[理学—高分子化学]