Molecule Dynamics Simulation of the Effect of Oxidative Aging on Properties of Nitrile Rubber

Yang, Jinsong; Lou, Weitao

doi:10.3390/polym14020226

Cited by 14 publications

(12 citation statements)

References 45 publications

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“…The slower kinetics of the hardness evolution presented by the specimens aged under compression is attributed to the compression device plates, which prevent oxygen adsorption into the material, 19 disfavoring oxidation reactions. The compressed samples also tend to have more extensive packing of polymer chains and smaller voids in the amorphous matrix, which hinders oxygen diffusion into the material 19,37 . This behavior is pronounced at higher temperatures due to accelerated aging.…”

Section: Resultsmentioning

confidence: 99%

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Thermo‐oxidative aging of acrylonitrile‐butadiene rubber gaskets with real geometry used in plate heat exchangers

Souza

Zanzi

Paiva

et al. 2022

J of Applied Polymer Sci

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This study investigates the effects of aging on the physical and mechanical properties of commercially available acrylonitrile-butadiene rubber (NBR) gaskets while maintaining their original geometry. Thermo-oxidative cycles with 10 and 70 mm in length specimens were conducted from 80 to 170 C up to 180 days. The samples were analyzed employing compression set (CS), hardness, indentation modulus, cross-link density, total reflectance Fourier transform infrared spectroscopy (ATR-FTIR), and thermogravimetry. The results showed that longer specimens presented better resistance to thermo-oxidative aging. Indentation results indicated regular oxygen permeability into the entire samples up to 110 C, while at higher temperatures, limited diffusion oxidation (DLO) effects promoted non-uniform aging. Time-temperature superposition (TTS) and Arrhenius methods were applied to predict the specimens' lifetime using CS as a failure criterion. Activation energies for 10 and 70 mm samples were 68.74 and 43.63 kJ mol À1 , respectively. Thus, the 70 mm specimen's lifetime was greater than 10 mm. For temperatures below ≈38 C, the response to the thermo-oxidative aging is independent of specimen length. Therefore, in determining the lifetime of gaskets with complex geometry, longer specimens are recommended to provide more reliable results than those suggested by the standards.

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Section: Resultsmentioning

confidence: 99%

“…The compressed samples also tend to have more extensive packing of polymer chains and smaller voids in the amorphous matrix, which hinders oxygen diffusion into the material. 19,37 This behavior is pronounced at higher temperatures due to accelerated aging.…”

Section: Shore a Hardnessmentioning

confidence: 99%

Thermo‐oxidative aging of acrylonitrile‐butadiene rubber gaskets with real geometry used in plate heat exchangers

Souza

Zanzi

Paiva

et al. 2022

J of Applied Polymer Sci

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“…23 Based on the above data, the random copolymer function of MS software was used to construct the NR and SBR single-chain models with a chain length of 50, as shown in Figure 3. 24 Four NR and SBR single-chain molecules are selected, and a rubber powder molecule is constructed through the amorphous cell module, as shown in Figure 4.…”

Section: ■ Materials and Methodsmentioning

confidence: 99%

Molecular Dynamics Study on the Compatibility of Asphalt and Rubber Powder with Different Component Contents

et al. 2022

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In order to study the influence of asphalt from different origins on the compatibility of rubber powder and asphalt, the four most representative 90# asphalts from different origins were selected for the four-component test, namely, Karamay, Shell, Esso, and HuanxiLing, which have differences in their microstructure and molecular structure. First, Materials Studio software was used to build the asphalt molecular model based on the four-component test data, and styrene butadiene rubber and natural rubber were used as representative molecules of rubber powder to build the molecular model. The solubility parameters, molecular potential energy, and radial distribution function were obtained by molecular dynamics simulation of rubber powder and four asphalt molecules. The gray correlation degree analysis of the four components of asphalt is carried out with the gray correlation method. The results show that the solubility parameter difference between Esso asphalt and the rubber molecule is the smallest, and the potential energy between them is the largest; that is, the compatibility between Esso asphalt and rubber powder is the best, followed by Shell, Huanxiling, and Karamay. The analysis of the radial distribution function between two molecules also further confirmed the compatibility of the four modified asphalt. The gray correlation degree between the four components of asphalt and the solubility and molecular potential energy index is as follows: saturates > aromatics > resin > asphaltene. It is concluded that the influence of light components on the compatibility of asphalt is greater than that of heavy components. Therefore, in future industrial production, the rubber powder-modified asphalt made of more light components has better performance and storage stability.

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“…12 Consequently, the performance of VEMs degrades, resulting in poor isolation and damping effect of VE equipment, which finally leads to unpredictable risks in the safety of structures. 13 This means that it is imperative to study the effect of aging on the mechanical properties of VEMs, especially when there are few published reports on the aging of VEMs used in civil engineering.…”

Section: Introductionmentioning

confidence: 99%

Mechanical properties of viscoelastic materials subjected to thermal‐oxidative aging: An experimental and theoretical study

Li,

Xu,

Tong

et al. 2023

J of Applied Polymer Sci

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Viscoelastic materials (VEMs) made from rubber polymer will inevitably age due to the interactions with the harmful environment during service life, thus reducing the reliability of viscoelastic (VE) damping equipment installed in building structures. In order to understand and be able to predict the degradation of VE damping equipment, it is imperative to comprehensively study the influence of aging on the mechanical properties of VEMs. In this paper, a series of thermal‐oxidative (TO) aging tests and mechanical property tests are conducted on our previously developed VEMs to study effects of TO aging on the molecular chain structure and corresponding changes of macroscopic mechanical properties of VEMs. By classifying molecular chains of VEMS into elastic chains and free chains, the effects of different chemical reactions during TO aging on these two main chains and corresponding changes on macroscopic mechanical behaviors of VEMs are analyzed. This facilitates formulating a mathematical model that can characterize the mechanical behavior of TO aging VEMs. In conjunction with the experimental data, the accuracy and applicability of the proposed model are compared and verified. Sensitivity analyses of parameters involved in the proposed model are then performed. The experimental results demonstrate that the TO aging can degrade the deformation capability and harden the modulus of VEMs, which may adversely affect the performance of VE damping devices. The parameter analyses depict that the TO aging affects the macroscopic mechanical behavior of VEMs by altering the relative number and configuration of free chains and elastic chains as well as their respective contributions to the total stress of VEMs. The results point to the high accuracy of the proposed model in representing the strain–stress behavior of VEMs under different aging conditions.

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Molecule Dynamics Simulation of the Effect of Oxidative Aging on Properties of Nitrile Rubber

Cited by 14 publications

References 45 publications

Thermo‐oxidative aging of acrylonitrile‐butadiene rubber gaskets with real geometry used in plate heat exchangers

Thermo‐oxidative aging of acrylonitrile‐butadiene rubber gaskets with real geometry used in plate heat exchangers

Molecular Dynamics Study on the Compatibility of Asphalt and Rubber Powder with Different Component Contents

Mechanical properties of viscoelastic materials subjected to thermal‐oxidative aging: An experimental and theoretical study

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