Study of Raw and Recycled Polyethylene Terephthalate by Meaning of TGA and Computer Simulation

Abstract

The pyrolysis method of both raw and recycled polyethylene terephthalate was studied using the nonisothermal thermogravimetric analysis (TGA) at different five heating rates (10, 15, 20, 25, and 30 K/min) for each element. Without using any mathematical equations, the kinetic parameters of polyethylene terephthalate pyrolysis were obtained by applying the modified distributed activation energy model (DAEM). Furthermore, the glass transition temperature (Tg) of polyethylene terephthalate was simulated using the computer simulation with different methods. The effect of energy in the Tg process was enhanced. The mechanical properties of polyethylene terephthalate were computed. Our simulated values were compared with available data in literature.

Energetic and Structural Characterizations of the PET–Water Interface as a Key Step in Understanding Its Depolymerization

“…The predicted elastic properties by MD simulation with the PCFF+ force field of PET at 300 K are given in Table 1. We can see that our results are in good agreement with both previous results 68 and experiments. 69−71 The Young's modulus (E), bulk modulus, and Poisson's ratio are very close to the values measured and calculated in other works.…”

“…69−71 The Young's modulus (E), bulk modulus, and Poisson's ratio are very close to the values measured and calculated in other works. 68 The value obtained for the Young's modulus is very satisfactory and matches very well with experiments. This reinforces our confidence in the choice of the force field for the extraction of a monomer from the bulk.…”

Thermal Degradation and Organic Chlorine Removal from Mixed Plastic Wastes

“…After around 8 min, when the temperature reaches ~260 • C, the mass loss starts to increase due to the release of volatiles. This behavior can be attributed to the thermal degradation of PE or PVC, since these polymers would start to decompose at similar temperatures [21,35], while PP, PEVA and PET would only start decomposing at higher temperatures in the absence of oxygen [35][36][37]. The mass loss increases as time increases and reaches around 83% after 900 min.…”

Determination of Kinetic and Thermodynamic Parameters of Biomass Gasification with TG-FTIR and Regression Model Fitting

“…Consequently, alternative approaches such as machine learning techniques and fitting non-linear process models have been suggested to describe thermal degradation [5]. Additionally, the identification of the kinetic parameters for additively overlapping TGA steps is a complex problem and, to the authors' current knowledge, is possible only through non-linear optimization techniques [6]. Therefore, alternatives have been proposed to describe the thermal degradation of materials by using machine learning techniques and the fitting of non-linear process models.…”

“…Varying approaches have been applied to the use of logistic regression models in TGA, with some being used to estimate the kinetic parameters of Arrhenius kinetic models describing the degradation, while others are used to directly estimate mass changes in the investigated material as a function of time or temperature [5]. In the latter case, logistic mixture models have been proposed to estimate thermal degradation as a time series process when multiple overlapping degradation steps may be present [6,9].…”