TY - JOUR
T1 - Curing reaction of epoxy resin composed of mixed base resin and curing agent
T2 - Experiments and molecular simulation
AU - Okabe, Tomonaga
AU - Takehara, Tomohiro
AU - Inose, Keisuke
AU - Hirano, Noriyuki
AU - Nishikawa, Masaaki
AU - Uehara, Takuya
N1 - Funding Information:
T.O. and M.N. acknowledge the support of the Ministry of Education, Culture, Sports, Science and Technology of Japan under a Grant-in-Aid for Scientific Research (No. 22360352 ). T.O. also acknowledges the financial support of Tray Composite (America).
PY - 2013/8/2
Y1 - 2013/8/2
N2 - In this study, we investigated the influence of base resin and curing agent and their mixture on the curing characteristics by performing experiments and molecular simulations. In the curing experiment of epoxy resin, we used differential scanning calorimetry (DSC) to obtain the conversion by mixing curing agents and base resins. We used the molecular orbital method (MO) and the molecular dynamics method (MD) to simulate the curing reaction in molecular scale and investigate the effect of differences in resin composition on the curing characteristics. This simulation took into consideration activation energy, heat of formation, and polarization in the curing reaction. The simulation captures the trend of curing reaction obtained by the experiment. We found that the selection and mixture of curing agents are very important when controlling the curing characteristics of epoxy resin.
AB - In this study, we investigated the influence of base resin and curing agent and their mixture on the curing characteristics by performing experiments and molecular simulations. In the curing experiment of epoxy resin, we used differential scanning calorimetry (DSC) to obtain the conversion by mixing curing agents and base resins. We used the molecular orbital method (MO) and the molecular dynamics method (MD) to simulate the curing reaction in molecular scale and investigate the effect of differences in resin composition on the curing characteristics. This simulation took into consideration activation energy, heat of formation, and polarization in the curing reaction. The simulation captures the trend of curing reaction obtained by the experiment. We found that the selection and mixture of curing agents are very important when controlling the curing characteristics of epoxy resin.
KW - Curing characteristics
KW - Molecular dynamics
KW - Thermosetting resin
UR - http://www.scopus.com/inward/record.url?scp=84880924885&partnerID=8YFLogxK
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U2 - 10.1016/j.polymer.2013.06.026
DO - 10.1016/j.polymer.2013.06.026
M3 - Article
AN - SCOPUS:84880924885
SN - 0032-3861
VL - 54
SP - 4660
EP - 4668
JO - Polymer
JF - Polymer
IS - 17
ER -