Improving the adhesion properties of cement/epoxy interface using graphene-based nanomaterials: Insights from molecular dynamics simulation

Bahraq, Ashraf A.; Al‐Osta, Mohammed A.; Obot, I.B.; Al‐Amoudi, Omar S. Baghabra; Saleh, Tawfik A.; Maslehuddin, Mohammed

doi:10.1016/j.cemconcomp.2022.104801

Cited by 27 publications

(11 citation statements)

References 63 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The diffusion coefficient (D) of the particles was calculated by using the Einstein equation (eq 7). The RMSD is calculated using eq 6: 23 (5) (6) (7) The MSD curve of the epoxy resin is shown in Figure 4a to characterize the transport properties of the epoxy resin in various systems. The molecular motion trend in all models was almost the same, with an increase in the MSD over time.…”

Section: Adsorption Behavior Of Resin On Graphite Surfacementioning

confidence: 99%

“…The diffusion coefficient (D) of the particles was calculated by using the Einstein equation (eq 7). The RMSD is calculated using eq 6: 23 = r t r MSD ( ) (0)…”

Section: Adsorption Behavior Of Resin On Graphite Surfacementioning

confidence: 99%

“…In the graphite-based composite bipolar-plate industry, the functional group on the graphite introduces a different interface between the graphite and epoxy, resulting in significantly improved interfacial and physical properties of the composite bipolar plate . However, the microstructure and bonding mechanism of the interface still require further elucidation, and experimental observations of precise control over the surface modification of graphite are challenging. , Molecular dynamics (MD) simulation overcomes this limitation by accurately analyzing the influence of different functional groups on the G/EP interface. − This approach has been widely used to study interfaces in such systems. − …”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Improving Interfacial Adhesion of Graphite/Epoxy Composites by Surface Functionalization

Yao

Feng

Jin

et al. 2023

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

Graphite/epoxy resin (G/EP) composites are extensively utilized in bipolar plates for fuel cells owing to their outstanding electrical and mechanical properties. However, the mechanical strength of these composites declines notably due to the inadequate bonding interface between graphite and epoxy resin. To address this issue, we used molecular dynamics (MD) simulations to study the influence of graphite surface functionalization on the interfacial structures of composites. The results of this study revealed that the functionalization of the graphite surface led to an increase in the interface thickness of the composite. This phenomenon can be attributed to the interdiffusion and hydrogen bond formation between functionalized graphite and epoxy molecular chains. And all four types of functional groups demonstrated a promoting effect on the adsorption process. Additionally, the adsorption and contact angle results provided further evidence that the adsorption rate of graphite to the epoxy resin significantly improved after functionalization. These findings contribute to a more comprehensive understanding of the microscopic process of forming interfaces in G/EP composites. In addition, these insights provide valuable guidance for improving the interface bonding of composite bipolar plates, which can ultimately increase their mechanical strength.

show abstract

Section: Adsorption Behavior Of Resin On Graphite Surfacementioning

confidence: 99%

“…The diffusion coefficient (D) of the particles was calculated by using the Einstein equation (eq 7). The RMSD is calculated using eq 6: 23 = r t r MSD ( ) (0)…”

Section: Adsorption Behavior Of Resin On Graphite Surfacementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Improving Interfacial Adhesion of Graphite/Epoxy Composites by Surface Functionalization

Yao

Feng

Jin

et al. 2023

ACS Appl. Mater. Interfaces

View full text Add to dashboard Cite

show abstract

“…The combination of the latter with a wide range of fillers, having one or more dimensions in the nanometer range, has led to the development of polymeric nanocomposites with improved properties and new potential applications [ 2 , 3 , 4 , 5 , 6 , 7 , 8 , 9 , 10 ]. More specifically, the high aspect ratio, mechanical strength, and exceptional electrical properties make carbonaceous nanofillers such as graphene and carbon nanotubes (CNTs) the best filler for this scope [ 11 , 12 , 13 , 14 , 15 , 16 , 17 , 18 ]. In addition, due to their nanometric dimensions, these nanofillers have a large specific surface that maximizes the contact area between filler particles and the polymeric matrix, such that the transfer of mechanical stress between them, indeed the mechanical properties of the whole material, are improved [ 19 , 20 , 21 , 22 , 23 , 24 , 25 , 26 ].…”

Section: Introductionmentioning

confidence: 99%

Role of MWCNTs Loading in Designing Self-Sensing and Self-Heating Structural Elements

et al. 2023

View full text Add to dashboard Cite

This work proposes nanocomposites with carbon nanotubes characterized by self-sensing and self-heating properties. Recently, a growing interest in these two properties has been found in many industrial sectors, especially in the aerospace and automotive fields. While the self-sensing function allows diagnosing the presence of micro-damage in the material thanks to the detection of residual resistance, the self-heating function is exploited to properly tune the heating performance in terms of the heating rate and final temperature values. An electrical percolation value of around 0.5% by weight of carbon nanotubes was found by electrical characterization. The AC conductivity of the nanocomposites, in the range of 100 Hz to 1 MHz, evidences that beyond a CNTs amount of 0.5% wt/wt, they are characterized by a purely resistive behavior. The self-sensing analysis displayed a gauge factor value of 4.1. The solid thermal stability up to 300 °C makes the material suitable as a heating element at high temperatures. SEM investigations and temperature maps evidence a good dispersion of the conductive filler in the epoxy matrix and, consequently, good isotropy in heat distribution. As regards the trend of electrical resistance by varying the temperature, the electro-thermal investigation has shown the presence of both Positive Temperature Coefficient (PTC) and Negative Temperature Coefficient (NTC) behaviors with a predominance of NTC as soon as the temperature becomes closer to the glass transition temperature of the epoxy resin.

show abstract

“…CEI (Concrete Epoxy Interface) is formed during the installation of epoxy-based FRP on retrofitted or aged concrete surfaces; the CEI is the region formed at the concrete and epoxy touching surfaces [ 8 , 9 , 10 ]. In FRP concrete repair systems, the CEI is usually the region where the debonding and transition between the FRP and concrete occur [ 8 , 9 , 10 , 11 , 12 , 13 , 14 ], and the structural performance of the FRP-repaired concrete is dependent on the behavior of the CEI [ 8 , 10 , 13 , 15 , 16 , 17 ].…”

Section: Introductionmentioning

confidence: 99%

A Novel Approach to Quantifying the Failure Modes of Concrete-Epoxy Interface

Ishaq

Jang

et al. 2023

Materials

View full text Add to dashboard Cite

The failure or debonding of CEIs (Concrete-Epoxy Interfaces) in Fiber-Reinforced Polymer concrete (FRP) systems occurs in one or a combination of three modes: CC (Cohesive failure in Concrete), CE (Cohesive failure in Epoxy), and IF (Interfacial Failure). These failure modes are usually identified, and their relationships are established by human intuition, which is prone to subjectivity. This study proposes a novel method based on image processing techniques to analyze CEI fracture surfaces and evaluate their failure modes. The failure modes of CEI fracture surfaces of specimens from a 3PB (Three-Point Bending) experiment were assessed using an HVS, CIE L*a*b*, YCbCr, or RGB color space image segmentation-based image processing technique on the preprocessed images of the CEI failure sides. A manual approach was adopted to validate the accuracy of the proposed method. Comparing the failure mode (CE) obtained using the manual and the proposed methodology, an RMSE (Root Means Square Error) of 0.19, 0.10, 0.23, and 0.26 was obtained for HVS, CIE L*a*b*, YCbCr, or RGB color space, respectively. The epoxy area selected with CIE L*a*b* color space produced the most accurate evaluation of the failure modes. This study provides an accurate method of quantifying the failure modes of CEI fracture surfaces. The methodology proposed in this study is recommended for forensic investigations to understand better the possible causes of failure in externally bounded fiber-reinforced polymers.

show abstract

Improving the adhesion properties of cement/epoxy interface using graphene-based nanomaterials: Insights from molecular dynamics simulation

Cited by 27 publications

References 63 publications

Improving Interfacial Adhesion of Graphite/Epoxy Composites by Surface Functionalization

Improving Interfacial Adhesion of Graphite/Epoxy Composites by Surface Functionalization

Role of MWCNTs Loading in Designing Self-Sensing and Self-Heating Structural Elements

A Novel Approach to Quantifying the Failure Modes of Concrete-Epoxy Interface

Contact Info

Product

Resources

About