Simulating Polymerization by Boltzmann Inversion Force Field Approach and Dynamical Nonequilibrium Reactive Molecular Dynamics

The radical polymerization process of acrylate compounds is, nowadays, numerically investigated using classical force fields and reactive molecular dynamics, with the aim to probe the gel-point transition as a function of the initial radical concentration. In the present paper, the gel-point transit...

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Detalles Bibliográficos
Autores principales: Monteferrante, Michele, Succi, Sauro, Pisignano, Dario, Lauricella, Marco
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9657578/
https://www.ncbi.nlm.nih.gov/pubmed/36365522
http://dx.doi.org/10.3390/polym14214529

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9657578/
https://www.ncbi.nlm.nih.gov/pubmed/36365522
http://dx.doi.org/10.3390/polym14214529

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