Work

Computational Insights into Tunable Reversible Network Materials: Accelerated ReaxFF Kinetics of Furan-Maleimide Diels–Alder Reactions for Self-Healing and Recyclability

Year: 2024

Type: article

Source: The Journal of Physical Chemistry A

DOI: 10.1021/acs.jpca.4c05470

Authors: L. Vermeersch, T. Wang, N. Van den Brande, F. De Vleeschouwer, A. C. T. van Duin

Institutions: Vrije Universiteit Brussel, Pennsylvania State University

Language: English

Topic: Polymer composites and self-healing

Subfield: Polymers and Plastics

Field: Materials Science

Domain: Physical Sciences

Open Access status: closed

Funders: National Science Foundation, Fonds Wetenschappelijk Onderzoek, Vrije Universiteit Brussel

Awards: Accelerating the Diels-Alder kinetics of self-healing polymer network: new insights from a combined density functional theory and molecular dynamics approach., Accelerating the Diels-Alder kinetics of self-healing polymer network: new insights from a combined density functional theory and molecular dynamics approach., MRSEC: Center for Nanoscale Science

OpenAlex ID: W4404599446

FWCI: 0.628

Cites: 33

Cited by: 6

Related to: 10