Modeling of Semibatch Esterification Process for Poly(ethylene terephthalate) Synthesis

Abstract

The esterification kinetics of terephthalic acid (TPA) and ethylene glycol (EG) in poly(ethylene terephthalate) (PET) synthesis were studied using a semibatch reactor. Rate constants were optimized by data fitting with the oligomeric chain length, the fraction of carboxyl groups in the terminal groups (α) and the water generation curve for different EG/TPA feed ratios. The influence of the TPA particle size distribution on the solid‐liquid mass transfer rate and on acid conversion (ε) was investigated. It was observed that conversion became more sensitive towards TPA particle size as the EG/TPA feed ratio was lowered. It is advantageous to use the model based on TPA particle size for mass transfer limited esterification reactors. The effect of the monomer feed ratio on conversion, chain length and system heterogeneity can be predicted with this model.magnified image

Synthesis and kinetic modeling of biomass‐derived renewable polyesters

“…The foundations of general step‐growth polymerization kinetics were firstly established by Flory and then extended by Szabo‐Rethy by considering the effect of the water released during the polyesterification reaction. Several authors have proposed kinetic and reactor models for well‐established systems such as PET, maleic anhydride and 1,2‐propanediol or using phthalic anhydride instead of the diacid . In the 1980s, a comprehensive review of general polyesterification models and kinetic data was compiled by Fradet and Maréchal including kinetic expressions for both non‐catalyzed and catalyzed polyesterifications .…”

A kinetic study of the depolymerisation of poly(ethylene terephthalate) by phase transfer catalysed alkaline hydrolysis

“…Global growth rates are around 4% and 8% per year, respectively. 1 The wide application of PET in packaging industries is related mainly to its remarkable mechanical strength, low weight, low permeability to gases, good light transmittance, smooth surface, and the fact that it does not create a direct hazard to the environment (no side effects on humans). The interest in PET recycling is increasing owing to its substantial production and volume fraction in the waste stream and high resistance to both atmospheric and biological agents.…”

Mathematical Modeling of Polyether Production from 1,3‐Propanediol: Accounting for Linear Oligomers

“…Polymer producers care about oligomer concentrations in the polymer because linear and cyclic oligomers can evaporate and collect in downstream processing equipment and can influence the final properties of polymer products. As a result, oligomer formation and evaporation have been studied via experiments and modeling for many years . Linear oligomers are formed early in the polymerization (from monomer and other smaller oligomers) and their concentrations tend to decrease with the increasing degree of polymerization (DP), as the conversion of polymer end groups approaches unity.…”