Gui Huang
Current Organizations / Institutes
The organizations/institutes from the scholar's latest article
Research Subjects
Research Interests
Gui Huang has a total of 11 co-authors. Here are the top co-authors by number of shared publications:
- Haiyan Li
College of Weaponry Engineering, Naval University of Engineering, Wuhan 430033, China
1 shared publication - Hanyuan Huang
Naval University of Engineering, Wuhan 430033, China
1 shared publication - Hongkuan Zhou
China State Shipbuilding Corporation, Limited (CSSC) 719th Research Institute, Wuhan 430205, China
1 shared publication - Jing Fu
Naval University of Engineering, Wuhan 430033, China
1 shared publication - Jingjing Lan
Naval University of Engineering, Wuhan 430033, China
1 shared publication - Juqin Fan
Naval University of Engineering, Wuhan 430033, China
1 shared publication
Latest Publications
- Open Access
A Study on the Aging Mechanism and Anti-Aging Properties of Nitrile Butadiene Rubber: Experimental Characterization and Molecular Simulation
To tackle the degradation of sealing performance in nitrile butadiene rubber (NBR) seals due to material aging during long-term service, this study integrates experimental and molecular simulation methods to elucidate the aging mechanism. Experimental results reveal that the contents of C=C and C=O functional groups significantly decrease during aging, accompanied by enhanced hydrophobicity and increased crosslink density of NBR, indicating that crosslinking reactions dominate the aging process with the participation of C=C and C=O groups. Quantum mechanics (QM) and molecular dynamics (MD) simulations further demonstrate that α-H, C=C, and C≡N groups are preferentially oxidized due to their low bond energies. The oxidation of NBR generates unstable epoxy intermediates, which undergo chain scission to form ketones, aldehydes, and ultimately crosslinked structures. Using a multi-dimensional evaluation system based on bond dissociation energy (BDE), solubility parameter (Δδ), and migration coefficient (MSD), four antioxidants (4010NA, 4010, MC, and BHT) were screened. BHT emerges as the optimal choice, exhibiting superior free radical scavenging ability (BDE = 346.3 kJ/mol), good matrix compatibility (Δδ = 2.95), and anti-migration properties. The MD-based screening method established herein provides a theoretical basis for designing antioxidant systems in high-performance rubber materials, facilitating the development of advanced rubber products.
Open AccessA Study on the Aging Mechanism and Anti-Aging Properties of Nitrile Butadiene Rubber: Experimental Characterization and Molecular Simulation
To tackle the degradation of sealing performance in nitrile butadiene rubber (NBR) seals due to material aging during long-term service, this study integrates experimental and molecular simulation methods to elucidate the aging mechanism. Experimental results reveal that the contents of C=C and C=O functional groups significantly decrease during aging, accompanied by enhanced hydrophobicity and increased crosslink density of NBR, indicating that crosslinking reactions dominate the aging process with the participation of C=C and C=O groups. Quantum mechanics (QM) and molecular dynamics (MD) simulations further demonstrate that α-H, C=C, and C≡N groups are preferentially oxidized due to their low bond energies. The oxidation of NBR generates unstable epoxy intermediates, which undergo chain scission to form ketones, aldehydes, and ultimately crosslinked structures. Using a multi-dimensional evaluation system based on bond dissociation energy (BDE), solubility parameter (Δδ), and migration coefficient (MSD), four antioxidants (4010NA, 4010, MC, and BHT) were screened. BHT emerges as the optimal choice, exhibiting superior free radical scavenging ability (BDE = 346.3 kJ/mol), good matrix compatibility (Δδ = 2.95), and anti-migration properties. The MD-based screening method established herein provides a theoretical basis for designing antioxidant systems in high-performance rubber materials, facilitating the development of advanced rubber products.