TY - GEN
T1 - Molecular dynamics simulations of furan resin (Polyfurfuryl alcohol)
T2 - 36th Technical Conference of the American Society for Composites 2021: Composites Ingenuity Taking on Challenges in Environment-Energy-Economy, ASC 2021
AU - Kemppainen, Josh
AU - Gallegos, Ivan
AU - Deshpande, Prathamesh
AU - Gissinger, Jacob
AU - Odegard, Gregory
N1 - Publisher Copyright:
© 2021 36th Technical Conference of the American Society for Composites 2021: Composites Ingenuity Taking on Challenges in Environment-Energy-Economy, ASC 2021. All Rights Reserved.
PY - 2021
Y1 - 2021
N2 - Furan resins can be used as precursor resin for Carbon-Carbon Composites but has also been used in adhesives, acid/corrosion resistant materials, and as an alternative fuel precursor [15]. This paper contains the most current understanding of the structure of furan resin and a Molecular Dynamics workflow for computationally simulating its polymerization with the 'fix bond/react' command implemented in LAMMPS. The predicted mechanical properties of the polymerized resin are in good agreement with the literature values.
AB - Furan resins can be used as precursor resin for Carbon-Carbon Composites but has also been used in adhesives, acid/corrosion resistant materials, and as an alternative fuel precursor [15]. This paper contains the most current understanding of the structure of furan resin and a Molecular Dynamics workflow for computationally simulating its polymerization with the 'fix bond/react' command implemented in LAMMPS. The predicted mechanical properties of the polymerized resin are in good agreement with the literature values.
UR - http://www.scopus.com/inward/record.url?scp=85120502819&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85120502819&partnerID=8YFLogxK
M3 - Conference contribution
AN - SCOPUS:85120502819
T3 - 36th Technical Conference of the American Society for Composites 2021: Composites Ingenuity Taking on Challenges in Environment-Energy-Economy, ASC 2021
SP - 1422
EP - 1428
BT - 36th Technical Conference of the American Society for Composites 2021
A2 - Ochoa, Ozden
Y2 - 20 September 2021 through 22 September 2021
ER -