کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
201754 | 460568 | 2013 | 16 صفحه PDF | دانلود رایگان |
A PC-SAFT group contribution method (GCM) for polymers developed earlier [10] is extended to aromatic, oxygen- and silicon-based (co-)polymers. Polymer parameters are determined using group contributions and applying simple arithmetic and geometric combination rules. Group contributions for six new groups are identified and parameterized: >CHAr, >CAr, O, >CO, OH and >Si<. The parameterization method is applied to liquid density and binary liquid–liquid equilibria and vapor–liquid equilibria as well as to excess enthalpies of polymers containing aromatic, oxygen- and silicon-containing monomer units in an extended spectrum of nonpolar, polar and associating solvents. Modeling results using both, GCM and fitted polymer parameters, show equally-good agreement with experimental data.
► Published PC-SAFT based group contribution method for polymers (GCM-P) extended to aromatic, oxygen- and silicon-based (co-)polymers.
► Six new groups identified: >CHAr, >CAr, O, >CO, OH and >Si<.
► Applying the GCM-P good agreement between experimental and modeling data achieved.
► 21 (co-)polymer pVTs, 100 binary and 8 ternary (co-)polymer systems considered.
► Solvent spectrum (cyclic, polar, aromatic) extended for multi-component systems.
Journal: Fluid Phase Equilibria - Volume 339, 15 February 2013, Pages 89–104