A simplified and effective molecular-level kinetic model for plastic pyrolysis. (31st December 2022)

• Record Type: Journal Article
• Authors: Hua, Fang; Fu, Zhe; Cheng, Yi
• Is Part Of: Chemical engineering science. Volume 264(2022)
• Publication Date: 2022-12-31
• Subjects: Molecular-level kinetic model -- Plastic pyrolysis -- Automatically generated network -- Network visualization -- Genetic algorithm; Chemical engineering -- Periodicals; Génie chimique -- Périodiques; Chemical engineering; Periodicals; Electronic journals; 660
• DOI: 10.1016/j.ces.2022.118146
• Languages: English
• ISSNs: 0009-2509

Abstract

Highlights: Established a simplified and effective molecular-level kinetic model for polystyrene pyrolysis. Realized well correspondence to the experimental data by the concept of intermediate monomer. Visualized partially the automatic generated network with 3, 008 substances and 15, 025 reactions. Gave an insight into the pyrolysis of polystyrene through the evaluation, validation, and application of the model. Abstract: Industrialization and development of the global economy have boosted the production of plastics, leading to an explosive growth in the generation of plastic wastes. This work aims to establish a molecular-level kinetics model to understand the pyrolysis of polystyrene as a representative case for waste plastic. As a huge number of molecules in waste plastics make models extreme complex with stiff equations, the conception of intermediate monomer is proposed to construct the simplified model. The automatically generated network containing 3, 008 substances and 15, 025 reactions is partially visualized. The simulation results correspond well to the experimental data at different conditions. Through the evaluation, validation, and application of the model, it is clear that the molecular-level model behaves exquisite and requires low computation power but can give an insight into the pyrolysis of polystyrene.