ArticlePolymers2025
Simulation of the Pyrolysis Process of Cyclohexane-Containing Semi-Aromatic Polyamide Based on ReaxFF-MD.
Article in Polymers, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
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Who cites it
2 citing papers in PubMed.
- Insights into reaction mechanisms and kinetic characteristics of electron-beam irradiation-induced decomposition of 2,3,7,8-TCDD: a ReaxFF-based MD simulation study.Journal of molecular modeling · 2026Article
- Revealing the initial pyrolysis behavior of municipal solid waste by ReaxFF molecular dynamics simulation.Journal of molecular modeling · 2026Article
Corrections and comments
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Authors and funding
6 authors.
Funding
Abstract
Cyclohexane-containing semi-aromatic polyamides (c-SaPA) exhibit excellent comprehensive properties. Existing studies predominantly focus on synthesis and modification, while fundamental investigations into pyrolysis mechanisms remain limited, which restricts the development of advanced materials for high-performance applications such as automotive and energy systems. This study employs Reactive Force Field Molecular Dynamics (ReaxFF-MD) simulations to establish a pyrolysis model for poly(terephthaloyl-hexahydro-m-xylylenediamine) (PHXDT), systematically probing its pyrolysis kinetics and evolutionary pathways under elevated temperatures. The simulation results reveal an activation energy of 107.55 kJ/mol and a pre-exponential factor of 9.64 × 10
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Registered trials
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