Separate molecular dynamics simulations are carried out to study interfacial interactions between various monomers of epoxies and their hardeners with T300 and CCF300 carbon fibers. Atomistic models of T300 and CCF300 carbon fibers, both in sized and unsized states, are prepared on the basis of their X-ray Photoelectron Spectroscopy data. Calorimeteric measurement of heat of adsorption is used to validate the simulated values of interfacial interactions. Results demonstrate a ranking of epoxies and hardeners on the basis of their interfacial adhesion with T300 and CCF300 carbon fibers.
LopattananonNKettleAPTripathiD. Interface molecular engineering of carbon-fiber composites. Compos Part A1999; 30: 49–57.
2.
MaderE. Study of fibre surface treatments for control of interphase properties in composites. Compos Sci Technol1997; 57: 1077–1088.
3.
ZhuangHWightmanJP. The influence of surface properties on carbon fiber/epoxy matrix interfacial adhesion. J Adhesion1997; 62(1): 213–245.
4.
ZhandarovSMaderE. Characterization of fiber/matrix interface strength: applicability of different tests, approaches and parameters. Compos Sci Technol2005; 65: 149–160.
5.
VickersPEWattsJFPerruchotC. The surface chemistry and acid–base properties of a PAN-based carbon fibre. Carbon2000; 38: 675–689.
6.
PukanszkyB. Interfaces and interphases in multicomponent materials: past, present, future. Eur Polym J2005; 41: 645–662.
7.
HamertonIHayJNHowlinBJ. Molecular modeling of interactions at the composite interfaces between electrolytically surface-treated carbon fibre and epoxy resin. J Mater Chem1997; 7(1): 169–174.
8.
AwajaFGilbertMKellyG. Adhesion of polymers. Progr Polym Sci2009; 34(9): 948–968.
9.
HeHWWangJLLiK. Mixed resin and carbon fibres surface treatment for preparation of carbon fibres composites with good interfacial bonding strength. Mater Design2010; 31: 4631–4637.
10.
LiJHuangYXuZ. High-energy radiation technique treat on the surface of carbon fiber. Mater Chem Phys2005; 94: 315–321.
ParkSJKimBJ. Roles of acidic functional groups of carbon fiber surfaces in enhancing interfacial adhesion behavior. Mater Sci Eng A2005; 408: 269–273.
14.
AllingtonRDAttwoodDHamertonI. A model of the surface of oxidatively treated carbon fibre based on calculations of adsorption interactions with small molecules. Compos Part A1998; 29(A): 1283–1290.
15.
AllingtonRDAttwoodDHamertonI. Developing improved models of oxidatively treated carbon fibre surfaces using molecular simulation. Compos Part A2004; 35: 1161–1173.
16.
AttwoodDMarshallPI. Atomistic modeling of the adsorption of epoxy and amine molecules on the surface of carbon fibres. Compos Part A1995; 27(A): 775–779.
17.
GardnerSDSingamsettyCSKBoothGL. Surface characterization of carbon fibers using angle-resolved XPS and ISS. Carbon1995; 33(5): 587–595.
18.
YangFPitchumaniR. Effects of interphase formation on the modulus and stress concentration factor of fiber-reinforced thermosetting-matrix composites. Compos Sci Technol2004; 64: 1437–1452.
19.
BaillieaCEmanuelssonbJMartonF. Building knowledge about the interface. Compos Part A2001; 32: 305–312.
20.
DrazelLTMadhukarMWaterburyMC. Adhesion to carbon fiber surfaces: Surface chemical and energetic effects. Compos Struct1994; 27: 65–71.
21.
PisanovaEZhandarovSMaderE. How can adhesion be determined from micromechanical tests. Compos Part A2001; 32: 425–434.
22.
PaivaMCBernardoCANardinM. Mechanical, surface and interfacial characterization of pitch and PAN-based carbon fibres. Carbon2000; 38: 1323–1337.
23.
MoritaKMurataYIshitaniA. Characterization of commercially available PAN (Polyacrylonitrile) - based carbon fibers. Pure Appl Chem1986; 58(3): 455–468.
24.
Imran SA, Wang XQ, Huang PC, et al. Developing an approach to calculate carbon fiber surface energy using molecular simulation and its application to real carbon fibers, J Compos Mater 2011; 46(6): 707–715.
25.
DengMTanVBCTayTE. Atomistic modeling- interfacial diffusion and adhesion of polycarbonate and silanes. Polymer2004; 45: 6399–6407.
