Materials Science and Engineering Commons^™

Evolution Of Glassy Carbon Derived From Pyrolysis Of Furan Resin, Josh Kemppainen, Ivan Gallegos, Aaron Krieg, Jacob R. Gissinger, Kristopher E. Wise, Margaret Kowalik, Julia A. King, S. Gowtham, Adri Van Duin, Gregory Odegard

Michigan Tech Publications, Part 2

Glassy carbon (GC) material derived from pyrolyzed furan resin was modeled by using reactive molecular dynamics (MD) simulations. The MD polymerization simulation protocols to cure the furan resin precursor material are validated via comparison of the predicted density and Young's modulus with experimental values. The MD pyrolysis simulations protocols to pyrolyze the furan resin precursor is validated by comparison of calculated density, Young's modulus, carbon content, sp carbon content, the in-plane crystallite size, out-of-plane crystallite stacking height, and interplanar crystallite spacing with experimental results from the literature for furan resin derived GC. The modeling methodology established in this work can …