Mechanistic investigation, kinetic modeling and analysis parameters of poly(3-hexylthiophene) degradation to fullerenes

• Published in: Polymer degradation and stability Vol. 94; no. 10; pp. 1839 - 1848
• Main Authors: Reddy, P. Karthik, Goutam, Prasanta J., Singh, Dilip K., Ghoshal, Aloke K., Iyer, Parameswar K.
• Format: Journal Article
• Language: English
• Published: Kidlington Elsevier Ltd 01.10.2009; Elsevier
• Subjects: Applied sciences; Carbon; Chemical reactions and properties; Degradation; Exact sciences and technology; Fullerene; Fullerenes; Genetic algorithms; Kinetic parameters; Mathematical models; Model fitting method; Model free kinetic analysis; Organic polymers; Physicochemistry of polymers; Poly (3-hexylthiophene); Reaction kinetics; Scanning electron microscopy; Thermal degradation; Fullerene; Kinetic parameters; Poly (3-hexylthiophene); Model free kinetic analysis; Model fitting method; Thermal degradation; Aromatic polymer; Experimental study; Modeling; Conducting polymers; Kinetic model; Thiophene derivative polymer; Genetic algorithm; Fullerenes; Reaction mechanism; Kinetics; Activation energy
• ISSN: 0141-3910; 1873-2321
• DOI: 10.1016/j.polymdegradstab.2009.05.018

Thermal degradation of Poly (3-hexylthiopene) (P3HT) was studied under nitrogen environment. Kinetic parameters of thermal degradation were determined using Vyazovkin model free method and model fitting method. Vyazovkin model free kinetic analysis is carried out to understand the variation of activation energy ( E α) required for degradation of polymer with conversion ( α). Various reaction models have been tested for probable reaction mechanism using hybrid genetic algorithm (HGA). Diffusion model and nucleation & growth with n = 2/3 has prominent role in thermal decomposition of P3HT. A plausible degradation route is proposed based on the experimental details acquired from gas chromatography (GC), Raman spectroscopy, FTIR spectroscopy, powder X-ray diffractometry (XRD), scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Degradation of P3HT starts at around 195 °C with release of lighter units like CS. Further increase in the temperature results in detachment of the hexyl chain from P3HT and the residue obtained at 1050 °C contains fullerenes mixed with amorphous carbon.