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Molecular thermodynamics of binary polymer solutions using modified double lattice model: Chain length dependence of primary lattice
Author(s) -
Chang Bong Ho,
Bae Young Chan
Publication year - 1999
Publication title -
journal of applied polymer science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.575
H-Index - 166
eISSN - 1097-4628
pISSN - 0021-8995
DOI - 10.1002/(sici)1097-4628(19990923)73:13<2627::aid-app10>3.0.co;2-s
Subject(s) - helmholtz free energy , thermodynamics , monte carlo method , polymer , binary number , lattice (music) , flory–huggins solution theory , solvent , entropy of mixing , lattice model (finance) , lattice constant , statistical physics , chemistry , materials science , enthalpy , physics , mathematics , organic chemistry , quantum mechanics , diffraction , statistics , arithmetic , acoustics
Abstract In a previous study we modified a double lattice model by introducing a new interaction parameter, which improved the mathematical approximation defect, and gave a new expression for the Helmholtz energy of mixing. In the model the universal constants C β and C γ in the primary lattice were determined by comparing them with literature Monte Carlo simulation data, which is the only case for r 1 = 1 and r 2 = 100 (case I). In this study we introduce new universal constants, C β and C γ , as a function of the chain length of a polymer in a solvent (case II) by comparing them with other literature simulation data for various polymer chain lengths. The proposed model is compared with polymer–solvent systems. In an upper critical solution temperature phase behavior the theoretical results of case II were improved over those of case I. However, in a lower critical solution temperature phase behavior those of case I were not very sensitive to C β and C γ . © 1999 John Wiley & Sons, Inc. J Appl Polym Sci 73: 2627–2633, 1999