Evaluation of composite interfacial properties based on carbon fiber surface chemistry and topography: Nanometer-scale wetting analysis using molecular dynamics simulation

Published on Feb 8, 2019in Composites Science and Technology7.094
· DOI :10.1016/J.COMPSCITECH.2018.12.028
Peng Xu4
Estimated H-index: 4
(Huada: Beijing University of Chemical Technology),
Yunhua Yu27
Estimated H-index: 27
(Huada: Beijing University of Chemical Technology)
+ 3 AuthorsXiaoping Yang54
Estimated H-index: 54
(Huada: Beijing University of Chemical Technology)
Sources
Abstract
Abstract According to surface chemistry and topography of different high-modulus carbon fiber (HMCF), interfacial properties of various HMCF composite were evaluated, and nanoscale wetting analysis of HMCF were studied using experimental methods and molecular dynamics simulation. Hierarchical amount of active functional groups and nanoscale grooves were detected on the surface of pristine HMCF (p-HMCF), anodic oxidized HMCF (a-HMCF) and sized HMCF (s-HMCF). Remarkable enhancements in interfacial properties of a-HMCF and s-HMCF composites were obtained, which was ascribed to free-void interface from improved surface energy and wettability. Poor interfacial bonding of p-HMCF composites was due to generation of many nanobubbles with pinned contact lines during the wetting of the surface microgrooves with high aspect ratio and chemical inertness. Schematic of interfacial compatibility mechanisms was proposed to illustrate the correlation between surface features of carbon surface and interfacial properties of their composites.
📖 Papers frequently viewed together
2021
2009
1 Author (Risto Pajarre)
1996
7 Citations
References30
Newest
#1Marziyeh Jannesari (Sharif University of Technology)H-Index: 3
#2Omid Akhavan (Sharif University of Technology)H-Index: 66
Last. Hamid Reza Madaah Hosseini (Sharif University of Technology)H-Index: 17
view all 3 authors...
Abstract Spontaneous generation of nanobubbles (NBs) was developed by using a controllable platform of superfast microvortices, based on turbulent jet flows in the presence of graphene oxide (GO) sheets. Very high energy dissipation rates through discharging warm water into cold N2 aqueous solutions resulted in creation of micro/submicro-vortices. Shear stresses in these domains generated gas local supersaturations, leading to the formation of high concentration (∼109 mL−1) of stable NBs. Introd...
5 CitationsSource
#1Won Kyu Lee (NU: Northwestern University)H-Index: 19
#2Woo-Bin Jung (KAIST)H-Index: 13
Last. Teri W. Odom (NU: Northwestern University)H-Index: 66
view all 8 authors...
: This paper describes polymeric nanostructures with dynamically tunable wetting properties. Centimeter-scale areas of monolithic nanoridges can be generated by strain relief of thermoplastic polyolefin films with fluoropolymer skin layers. Changing the amount of strain results in polyolefin ridges with aspect ratios greater than four with controlled feature densities. Surface chemistry and topography are demonstrated to be able to be tailored by SF6 -plasma etching to access multiple wetting st...
22 CitationsSource
#1Peng XuH-Index: 4
#2Yunhua YuH-Index: 27
Last. Xiaoping YangH-Index: 54
view all 6 authors...
Abstract Tailored-modulus epoxy matrix was designed on basis of surface analysis of high-modulus carbon fibers (HMCF), and the effects of modulus intermediate layer on interfacial and mechanical properties of HMCF composites were investigated. Narrow grooves and active functional groups were detected on HMCF surface. The modulus of epoxy was tuned by stiff organic molecular structure of cycloaliphatic epoxy (CE) and amide acid (AA). Modulus intermediate layer was established along with modulus g...
28 CitationsSource
#1Yu Wang (Huada: Beijing University of Chemical Technology)H-Index: 3
#2Yuanjian Tong (Huada: Beijing University of Chemical Technology)H-Index: 4
Last. Lianghua Xu (Huada: Beijing University of Chemical Technology)H-Index: 11
view all 5 authors...
The effects of concentration of dimethyl sulfoxide (DMSO) in the coagulation bath, draw ratio and extrusion speed on surface roughness of polyacrylonitrile (PAN) fibers prepared by wet spinning and...
3 CitationsSource
#1Judith Moosburger-Will (University of Augsburg)H-Index: 12
#2Jan Jäger (University of Augsburg)H-Index: 5
Last. Siegfried Horn (University of Augsburg)H-Index: 26
view all 7 authors...
AbstractThe chemistry and morphology of the carbon fiber surface are important parameters which govern the properties of the interfacial region and the adhesion between carbon fibers and polymeric matrix in carbon fiber reinforced polymers. In the presented paper the surface chemistry of the fibers is varied while the surface morphology is left unchanged. We analyze chemical functionality and morphology of carbon fiber surfaces showing different degrees of activation, together with the adhesion ...
25 CitationsSource
#1Yawei Liu (Huada: Beijing University of Chemical Technology)H-Index: 13
#2Xianren Zhang (Huada: Beijing University of Chemical Technology)H-Index: 28
Here, we study how nanobubbles nucleate on rough hydrophobic surfaces, using long-time standard simulations to directly observe the kinetic pathways and using constrained simulations combined with the thermodynamic integration approach to quantitatively evaluate the corresponding free energy changes. Both methods demonstrate that a two-step nucleation route involving the formation of an intermediate state is thermodynamically favorable: at first, the system transforms from the Wenzel state (liqu...
14 CitationsSource
#1Xiaomin Yuan (SDU: Shandong University)H-Index: 7
#2Bo Zhu (SDU: Shandong University)H-Index: 2
Last. Junwei Yu (SDU: Shandong University)H-Index: 6
view all 6 authors...
Abstract The adhesion behavior of epoxy resin to carbon fibers has always been a challenge, on account of the inertness of carbon fibers and the lack of reactive functional groups. In this work, a modified polyacrylate sizing agent was prepared to modify the interface between the carbon fiber and the epoxy matrix. The surface characteristics of carbon fibers were investigated to determine chemical composition, morphology, wettability, interfacial phase analysis and interfacial adhesion. Sized ca...
52 CitationsSource
#1Baris Demir (Deakin University)H-Index: 12
#2Luke C. Henderson (Deakin University)H-Index: 24
Last. Tiffany R. Walsh (Deakin University)H-Index: 42
view all 3 authors...
Carbon-fiber reinforced composites are ideal light-weighting candidates to replace traditional engineering materials. The mechanical performance of these composites results from a complex interplay of influences operating over several length and time scales. The mechanical performance may therefore be limited by many factors, one of which being the modest interfacial adhesion between the carbon fiber and the polymer. Chemical modification of the fiber, via surface grafting of molecules, is one p...
56 CitationsSource
#1Shuai Wu (CSU: Central South University)H-Index: 3
#2Yunqi Liu (CSU: Central South University)H-Index: 2
Last. Maozhong Yi (CSU: Central South University)H-Index: 7
view all 6 authors...
Abstract Defects and microvoids in the surface region not only influenced the tensile strength and strain of carbon fibers but also affected the interface formation with pyrocarbon. The interface formation in carbon-carbon composites was closely correlated to rearrangement of carbon atoms and the evolution of surface structure of carbon fiber. Half-open elliptic microvoids or edge planes at the fiber surface were beneficial to the mechanical interlocking as well as chemical bonding with pyrocarb...
32 CitationsSource
#1Si QiuH-Index: 2
#2C.A. FuentesH-Index: 15
Last. David SevenoH-Index: 17
view all 5 authors...
Wettability as determined from contact angle measurements is a suitable parameter for characterizing the physical bonding of a polymer matrix and reinforcing fibers, but it is very challenging to measure the capillary force exerted by a probe liquid on a fiber accurately for very fine fibers such as single carbon fibers. Herein, we propose an innovative method for measuring dynamic contact angles with a tensiometer, considering both the intrinsic variability of the carbon fiber diameter and the ...
29 CitationsSource
Cited By15
Newest
#1Hanxiong Lyu (NUS: National University of Singapore)H-Index: 1
#2Naiyu Jiang (HIT: Harbin Institute of Technology)H-Index: 1
Last. Dongxing Zhang (HIT: Harbin Institute of Technology)H-Index: 1
view all 5 authors...
Abstract The interfacial adhesion between carbon fiber (CF) and polyetheretherketone (PEEK) is low due to their inert nature, limiting the mechanical properties of CF/PEEK composites. This study improved the interactions between CF and PEEK by sizing hydroxylated PEEK grafted multi-walled carbon nanotubes (HPEEK-g-MWCNT) synthesized via an esterification reaction. Molecular dynamics simulations and experiments were conducted to evaluate the microstructure and characterize the mechanical properti...
2 CitationsSource
#1Yu Fu (PolyU: Hong Kong Polytechnic University)H-Index: 2
#2Hanmo Zhou (PolyU: Hong Kong Polytechnic University)H-Index: 2
Last. Li-min Zhou (Southern University of Science and Technology)H-Index: 1
view all 3 authors...
Abstract The effect of liquid phases on the mechanical properties of carbon fiber reinforced composites (CFRP) is still unclear. In this study, various mass percentages of ionic liquid have been incorporated into epoxy resins and used to fabricate CFRPs. A brittle-ductile transition is demonstrated in tensile behavior of the CFRPs, accompanied by the change of failure mechanisms among fiber breakage, a combination of fiber breakage, splitting and delamination, and delamination. These ionic liqui...
1 CitationsSource
#1Hailang Wan (Tongji University)H-Index: 5
#2Junying Min (Tongji University)H-Index: 19
Last. Chengcheng Sun (Tongji University)H-Index: 5
view all 5 authors...
Unique spindle microstructures with an apex angle of ∼20° bring the ability of directional water collection to various biosystems (i.e., spider silk and cactus stem). This has great potential to solve the insufficient interfacial wetting for mechanical interlocking formation between polymers and substrates. In this study, the bioinspired spindle microstructures were easily fabricated through the deposition of molten materials by a nanosecond laser with an overlap ratio of 21% between laser spots...
Source
#1So Youn MunH-Index: 5
#2Jinsu Ha (Chonnam National University)H-Index: 1
Last. Doojin Lee (Chonnam National University)H-Index: 16
view all 6 authors...
Abstract The interphase region between inclusions and a polymer matrix plays an important role in determining the interfacial bonding strength of polymer composites. We present the interplay between wettability and apparent viscosity of liquid epoxy composites to investigate the effect of physicochemical modification on the creation of interphase regions in basalt fiber composites. The combination of various chemical coatings and plasma treatment was used to investigate the interfacial bonding s...
1 CitationsSource
#1Peifeng Feng (Qingdao University)H-Index: 4
#2Guojun Song (Qingdao University)H-Index: 16
Last. Lichun Ma (Qingdao University)H-Index: 11
view all 9 authors...
Abstract In order to comprehend the influence of different “rigid-flexible” structures on the interface strength of carbon fiber(CF)/epoxy composites, CNTs was firstly chemically grafted on CFs surface, and then polyamide (PA) was grafted onto CF-CNTs surface through varying anionic polymerization time of caprolactam [CF-CNTs-PAn (n = 6 h, 12 h, 24 h)]. X-ray photoelectron spectroscopy (XPS) and Raman spectroscopy indicated the successful establishment of CNTs and PA. TGA demonstrated the differ...
6 CitationsSource
#1Muhan Zhang (CSU: Central South University)H-Index: 2
#2Xiaoyu Wang (CSU: Central South University)
Last. Bingyan Jiang (CSU: Central South University)H-Index: 13
view all 5 authors...
Abstract The impregnation of carbon fabric reinforcements in an injection mold through self-resistance electric (SRE) heating opens the way for manufacturing carbon fiber reinforced thermoplastics in quantities and low cost. The surface morphology evolution of carbon fiber under SRE heating may affect the interfacial properties of resulting composites. In this work, molecular dynamics was introduced to investigate the atomic-level interaction between carbon fiber (CF) and polypropylene (PP) in c...
Source
#1Lin Jin (Changchun University)H-Index: 6
#2Mengjie Zhang (Changchun University)H-Index: 10
Last. Yuhui Ao (Changchun University)H-Index: 14
view all 6 authors...
ABSTRACT Poor interfacial interaction and damage-tolerance restrict practical application of carbon fiber (CF) composites. The brick-and-mortar structure meets the requirements of high strength and small crack growth behavior of composites. However, uniformly fabricating the three-dimension brick-and-mortar structure as an interface layer on CF surface remains a challenge. To fill up this technical gap, herein, 3D brick-and-mortar structures were uniformly constructed on carbon fiber surface via...
2 CitationsSource
#1Hyeran Kim (KNU: Kyungpook National University)H-Index: 1
#2Kibeom Nam (KNU: Kyungpook National University)H-Index: 2
Last. Dong Yun Lee (KNU: Kyungpook National University)H-Index: 20
view all 3 authors...
We developed a simple method for the fabrication of superhydrophobic surfaces on various substrates using spray coating. The fabrication method started with the blending of a modified hydrophobic siloxane binder, silica nanoparticles, and a volatile solvent by sonication. The mixture was spray-coated on various surfaces such as slide glass, paper, metal and fabric, forming a rough surface comprising silica particles dispersed in a hydrophobic binder. Surface hydrophobicity was affected by the su...
1 CitationsSource
#1Jiawei Lin (Huada: Beijing University of Chemical Technology)H-Index: 2
#2Lili Wang (Huada: Beijing University of Chemical Technology)H-Index: 3
Last. Xiaoping Yang (Huada: Beijing University of Chemical Technology)H-Index: 54
view all 6 authors...
Abstract Hydroxy-terminated waterborne polyurethane (WPU) and oxazolidone-containing epoxy (OXEP) matrix were designed to realize two-stage interface enhancement of WPU sized aramid fiber/oxazolidone-containing epoxy (WAF/OXEP) composite, and the interfacial properties and interphase reinforcing mechanism were investigated. Compared with commercial aramid fiber (CAF), the surface roughness and energy of WAF were increased, and the fracture toughness and elongation at break of OXEP matrix were im...
8 CitationsSource
#1Mei He (Huada: Beijing University of Chemical Technology)H-Index: 3
#2Peng Xu (ZJU: Zhejiang University)H-Index: 1
Last. Xiaoping Yang (Huada: Beijing University of Chemical Technology)H-Index: 54
view all 5 authors...
Abstract In this study, we describe the preparation of a hierarchical nanostructure consisting of tetraamino-phthalocyanine nanowires (TAPc NWs) decorated on graphene oxide (GO) supported on carbon fibers (CF-TAPc NWs@GO) through one-pot method of solvent-evaporation and self-assemble. The morphology and chemical composition of various CFs are investigated. The X-ray diffraction and UV-vis spectroscopy demonstrate the formation of α-phase TAPc NWs is induced with J-aggregation, and the possible ...
6 CitationsSource