Comprehensive thermokinetic modelling and predictions of cellulose decomposition in isothermal, non-isothermal, and stepwise heating modes

• Published in: Journal of analytical and applied pyrolysis 2022-01, Vol.161, p.105427, Article 105427
• Main Authors: Osman, Ahmed I., Fawzy, Samer, Farrell, Charlie, Al-Muhtaseb, Ala'a H., Harrison, John, Al-Mawali, Suhaib, Rooney, David W.
• Format: Article
• Language: English
• Subjects: Cellulose; Kinetic modelling; Pyrolysis; Thermokinetic predictions
• ISSN: 0165-2370; 1873-250X
• DOI: 10.1016/j.jaap.2021.105427

The increasing significance of biomass in attaining ultimate sustainability in a multitude of vectors demands a deeper understanding of its underlying components. The pyrolytic breakdown of cellulose, a major biomass component, has been a subject of intense research since the 1950 s, and despite significant research carried out and published thus far, the kinetics of cellulose degradation continue to be a source of debate. Herein, this work investigates the pyrolytic degradation of cellulose using Advanced Kinetics and Technology Solutions (AKTS) software. Kinetic parameters were computed using three methods, Friedman’s differential iso-conversional, FWO and ASTM-E698. The results indicate Ea values of 40–181, 68–166, and 152.1 kJ/mol, using Friedman’s, FWO and ASTM-E698 methods, respectively. Based on the results obtained via Friedman’s differential iso-conversional method, predictions under isothermal, non-isothermal and stepwise heating profiles are presented. The predictions revealed that rapid degradation takes place up to 80% conversion, and a temperature of 350–400 °C is required to efficiently achieve this, while temperatures of 650 °C and higher are needed to efficiently achieve a 100% conversion in less than 2 h, under isothermal conditions. [Display omitted] •Kinetic triplet of cellulose pyrolysis using advanced computational modelling.•The differential iso-conversional method indicated an Ea range of 40–181 kJ mol-1.•The Flynn-Wall-Ozawa method indicated an Ea range of 68–166 kJ mol-1.•The ASTM-E698 method indicated an Ea value of 152.1 kJ mol-1.•Predictions for isothermal, non-isothermal and stepwise heating regimes.