Pressure-volume-temperature and excess molar volume prediction of amorphous and crystallizable polymer blends by equation of state

doi:10.1016/j.cjche.2013.12.002

Abstract

Abstract: In this work the statistical mechanical equation of state was developed for volumetric properties of crystalline and amorphous polymer blends. The Ihm-Song-Mason equations of state (ISMEOS) based on temperature and density at melting point (T_m and ρ_m) as scaling constants were developed for crystalline polymers such as poly(propylene glycol)+poly(ethylene glycol)-200 (PPG+PEG-200), poly(ethylene glycol) methyl ether-300 (PEGME-350)+PEG-200 and PEGME-350+PEG-600. Furthermore, for amorphous polymer blends containing poly(2,6-dimethyl-1,4-phenylene oxide) (PPO)+polystyrene (PS) and PS+poly(vinylmethylether) (PVME), the density and surface tension at glass transition (ρ_g and γ_g) were used for estimation of second Virial coefficient. The calculation of second Virial coefficients (B₂), effective van derWaals co-volume (b) andcorrection factor (α) was required for judgment about applicability of this model. The obtained results by ISMEOS for crystalline and amorphous polymer blends were in good agreement with the experimental data with absolute average deviations of 0.84% and 1.04%, respectively.

Key words: Amorphous polymer, Crystalline polymer, Equation of state, Second Virial coefficient

摘要： In this work the statistical mechanical equation of state was developed for volumetric properties of crystalline and amorphous polymer blends. The Ihm-Song-Mason equations of state (ISMEOS) based on temperature and density at melting point (T_m and ρ_m) as scaling constants were developed for crystalline polymers such as poly(propylene glycol)+poly(ethylene glycol)-200 (PPG+PEG-200), poly(ethylene glycol) methyl ether-300 (PEGME-350)+PEG-200 and PEGME-350+PEG-600. Furthermore, for amorphous polymer blends containing poly(2,6-dimethyl-1,4-phenylene oxide) (PPO)+polystyrene (PS) and PS+poly(vinylmethylether) (PVME), the density and surface tension at glass transition (ρ_g and γ_g) were used for estimation of second Virial coefficient. The calculation of second Virial coefficients (B₂), effective van derWaals co-volume (b) andcorrection factor (α) was required for judgment about applicability of this model. The obtained results by ISMEOS for crystalline and amorphous polymer blends were in good agreement with the experimental data with absolute average deviations of 0.84% and 1.04%, respectively.

关键词: Amorphous polymer, Crystalline polymer, Equation of state, Second Virial coefficient

Fakhri Yousefi, Hajir Karimi, Maryam Gomar. Pressure-volume-temperature and excess molar volume prediction of amorphous and crystallizable polymer blends by equation of state[J]. , 2015, 23(3): 541-551.

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