Next Article in Journal
Recent Progresses and Development of Advanced Atomic Layer Deposition towards High-Performance Li-Ion Batteries
Next Article in Special Issue
Morphological and Optical Characteristics of Chitosan(1−x):Cuox (4 ≤ x ≤ 12) Based Polymer Nano-Composites: Optical Dielectric Loss as an Alternative Method for Tauc’s Model
Previous Article in Journal
Feedback System Control Optimized Electrospinning for Fabrication of an Excellent Superhydrophobic Surface
Previous Article in Special Issue
Hierarchical AuNPs-Loaded Fe3O4/Polymers Nanocomposites Constructed by Electrospinning with Enhanced and Magnetically Recyclable Catalytic Capacities
Open AccessArticle

Molecular Mechanics of the Moisture Effect on Epoxy/Carbon Nanotube Nanocomposites

by and *
School of Transportation Science and Engineering, Beihang University, 37 Xueyuan Road, Beijing 100191, China
*
Author to whom correspondence should be addressed.
Nanomaterials 2017, 7(10), 324; https://doi.org/10.3390/nano7100324
Received: 14 August 2017 / Revised: 8 October 2017 / Accepted: 9 October 2017 / Published: 13 October 2017
(This article belongs to the Special Issue Polymer Nanocomposites)
The strong structural integrity of polymer nanocomposite is influenced in the moist environment; but the fundamental mechanism is unclear, including the basis for the interactions between the absorbed water molecules and the structure, which prevents us from predicting the durability of its applications across multiple scales. In this research, a molecular dynamics model of the epoxy/single-walled carbon nanotube (SWCNT) nanocomposite is constructed to explore the mechanism of the moisture effect, and an analysis of the molecular interactions is provided by focusing on the hydrogen bond (H-bond) network inside the nanocomposite structure. The simulations show that at low moisture concentration, the water molecules affect the molecular interactions by favorably forming the water-nanocomposite H-bonds and the small cluster, while at high concentration the water molecules predominantly form the water-water H-bonds and the large cluster. The water molecules in the epoxy matrix and the epoxy-SWCNT interface disrupt the molecular interactions and deteriorate the mechanical properties. Through identifying the link between the water molecules and the nanocomposite structure and properties, it is shown that the free volume in the nanocomposite is crucial for its structural integrity, which facilitates the moisture accumulation and the distinct material deteriorations. This study provides insights into the moisture-affected structure and properties of the nanocomposite from the nanoscale perspective, which contributes to the understanding of the nanocomposite long-term performance under the moisture effect. View Full-Text
Keywords: carbon nanotube; composite; moisture; mechanical property; molecular dynamics simulation carbon nanotube; composite; moisture; mechanical property; molecular dynamics simulation
Show Figures

Graphical abstract

MDPI and ACS Style

Tam, L.-H.; Wu, C. Molecular Mechanics of the Moisture Effect on Epoxy/Carbon Nanotube Nanocomposites. Nanomaterials 2017, 7, 324.

Show more citation formats Show less citations formats
Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Article Access Map

1
Back to TopTop