Startseite Molecular dynamics simulation of the effect of the thermal and mechanical properties of addition liquid silicone rubber modified by carbon nanotubes with different radii
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Molecular dynamics simulation of the effect of the thermal and mechanical properties of addition liquid silicone rubber modified by carbon nanotubes with different radii

  • Lei Guo , Haiyun Xu , Nenghang Wu , Shuai Yuan , Lijun Zhou EMAIL logo , Dongyang Wang und Lujia Wang
Veröffentlicht/Copyright: 22. Februar 2023
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Abstract

For microscopic analysis of the effect of doping with carbon nanotubes (CNTs) of different radii on the thermal and mechanical properties of addition liquid silicone rubber (ALSR) composites, models of pure silicone rubber and silicone rubber composites containing CNTs of different radii were constructed based on a molecular dynamics approach using vinyl-capped polydimethylsiloxane (VPDMS) as the base polymer and polyhydroxymethylsiloxane (PHMS) as the cross-linker. The thermal and mechanical properties and microstructures of the different models were analyzed and compared. It was found that the doping of CNTs could change the thermomechanical properties of the composites, and the doping of CNTs with small radius had a more positive effect on the material, the thermal conductivity, glass transition temperature, and mechanical properties of the composites are improved. Due to the doping of CNTs, the free volume percentage and the mean square displacement of the composites are reduced. It is noteworthy that during the modeling and optimization process, there are molecular chains that pass through the large radius CNTs, and the structural properties of the composite CNTs themselves play a more critical role in the enhancement effect of the thermodynamic properties of the composites compared to the binding energy and free volume.

Keywords: polymer; doped carbon nanotubes; molecular dynamic simulation; thermodynamic properties

1 Introduction

The lightweight electric traction system is the established goal of high-speed rolling stock development. The onboard traction transformer is one of the essential pieces of equipment of the rolling stock train, which guarantees the normal and safe operation of the train set (1,2,3). Its weight also directly affects the efficiency and wear of the rolling stock train. The use of a dry type on-board transformer instead of the current oil type on-board transformer, due to the elimination of the oil tank and insulating oil and other components, can significantly reduce the weight and thus achieve the goal of a lightweight traction system of the rolling stock (4,5,6).

Silicone rubber materials are widely used in various electric power industries because of their excellent insulation performance, low cost, lightweight, easy manufacturing, and other excellent properties (7,8,9,10). Among silicone rubbers, the addition liquid silicone rubber (ALSR) has the advantages of superior insulation performance, wide application temperature range, chemical resistance, weather resistance, no by-products during cross-linking vulcanization, etc. It has gained wide attention in recent years (11,12,13,14,15,16). ALSR is considered an excellent solid insulation packaging material for dry-type onboard transformers. However, the high-speed operation of the train causes high-frequency vibration of the insulation material. The existing silicone rubber mechanical strength and resistance to notch tear performance is poor (17), so improving the mechanical properties of silicone rubber is the key to further application of silicone rubber.

Carbon nanotube (CNT) has attracted extensive research interest recently due to its extraordinary mechanical, physical, and thermal properties. It is considered to be a good nanofiller and ideal for reinforcing high-performance composites (18,19,20). Therefore, the modification of silicone rubber with CNTs has broad application prospects. Kumar et al. found that CNT nanofillers can improve the tensile strength of silicone rubber, and the strengthening effect is greater than that of carbon black (CB) and graphitic nanofiller (GR) nanofillers (21); Liu et al. found that the appropriate ratio between CNT and boron nitride (BN) can significantly improve the mechanical properties of the material, and the force orientation of CNTs has a significant effect on the thermal conductivity of silicone rubber composites (22); Shang et al. found that the CNT inclusion could improve the thermomechanical properties of high-temperature vulcanized silicone rubber, and the properties were not lost after hundreds of repeated stretch/release cycles (23). It is noteworthy that the effect of CNTs with different radii on silicone rubber is also different, and the experimental study does not clearly explain the mechanism of the impact of the variation of nano-CNT radius on the properties of silicone rubber composites (24).

In recent years, molecular dynamic simulation methods have been widely applied in the research of mechanical properties, thermal properties, tribological properties, interfacial properties, and aging mechanisms with the development of computer technology (25,26,27,28,29). The molecular simulation method can efficiently study the changes in material microstructure parameters and establish the connection between microscopic and macroscopic to elucidate the modification mechanism of carbon nanotubes modified silicone rubber composites. Therefore, it is instructive to model the nano CNTs/silicone rubber composites based on molecular dynamics methods and to study the effects of different radii of CNTs on the properties of silicone rubber composites to reveal the interaction mechanism between nanoparticles and matrix.

In this article, using vinyl-capped polydimethylsiloxane (VPDMS) as the base polymer and polyhydroxymethylsiloxane (PHMS) as the cross-linker, molecular models of silicone rubber containing CNTs of different radii and ALSR were established based on molecular dynamics, analyzed the effect of CNTs doping of different radii on the microstructure and thermomechanical property changes of silicone rubber composites, and compared. The effect of CNTs doping on the microstructure and thermomechanical properties of silicone rubber composites with different radii was analyzed and compared. It is a basis for the subsequent preparation of high-frequency vibration-resistant silicone rubber materials for dry-type onboard transformers.

2 Model construction and cross-linking process

2.1 Construction of the initial model

The monomer models of the molecules of the ALSR system and CNTs were constructed using Material Studio (MS) software, respectively. VPDMS was chosen as the base polymer and PHMS as the cross-linker. Due to the large molecular mass and the high initial polymerization of ALSR, it is impractical to establish a large number of repeating unit molecules for simulation. And this article mainly focuses on the effect of doping CNTs of different radii, and it is only necessary to ensure that the number of repeating units of molecular chain is appropriate. However, considering the actual situation and ensuring the accuracy of the model as well as the model should have sufficient cross-linkage, the number of repeating units should not be small. Therefore, on the basis of a combination of references (30), each VPDMS single chain has 30 repeating units. PHMS has a smaller molecular mass than VPDMS, so the number of repeating units selected was made appropriately smaller on VPDMS. Therefore, each PHMS single chain has 20 repeating units, and five positions are selected as silyl hydrogen groups. Then, the geometric structure was optimized for the monomer model separately. Considering the computing efficiency of the computer and ensuring sufficient cross-linking of the model, ten chains each of VPDMS and PHMS were used to construct a pure silicone rubber model. CNTs were chosen as the armchair type while keeping the proportion of different radius CNTs in the system consistent. Each model contained only one CNT monomer model to simulate a well-dispersed composite silicone rubber system. Each monomer model is shown in Figure 1, and the parameters of different radius CNTs are shown in Table 1.

Figure 1 Geometry optimization of each individual model, showing: (a) VPDMS, (b) PHMS, (c) CNT-1 (small radius), (d) CNT-2 (big radius).
Figure 1

Geometry optimization of each individual model, showing: (a) VPDMS, (b) PHMS, (c) CNT-1 (small radius), (d) CNT-2 (big radius).

Table 1

CNTs parameters

Type Chiral index Radius (Å) Length (Å)
CNT-1 (6,6) 4.07 44.27
CNT-2 (10,10) 6.78
Figure 2 Uncross-linked optimization model, showing: (a) ALSR, (b) ALSR-2.
Figure 2

Uncross-linked optimization model, showing: (a) ALSR, (b) ALSR-2.

2.2 The specific process of initial model construction

  1. The pure and doped silicone rubber with CNTs of different radii were modeled separately. The initial model was built using the Amorphous Cell module, and the initial density was chosen to be 0.6 g‧cm−3. The silicone rubber doped with CNT-1 is ALSR-1, and the silicone rubber doped with CNT-2 is ALSR-2.

  2. The models of doped CNTs were first optimized: the fixed CNT monomer was optimized for the model geometry (10,000 steps) and dynamics under NVT synthesis (100 ps, 600 K), respectively. This step is to prevent distortion during the optimization. Then the fixation was removed, all models were geometrically optimized (10,000 steps), and the geometrically optimized models were dynamically optimized in the NPT synthesis and then in the NVT synthesis. Both the temperature and time were set to 600 K and 100 ps. The final optimized model is shown in Figure 2 (only the ALSR-2 model is displayed) for subsequent cross-linking.

2.3 Cross-linking process

Under the action of a catalyst, the vinyl group and Si–H group undergo a hydrosilylation addition reaction to generate new Si–C chemical health, which cross-links the polysiloxane into a network structure, where the catalyst is generally chosen from the platinum-based trigger. The cross-linking of the atoms is achieved with a Perl script, which proceeds as follows:

  1. The active atoms were set according to the cross-linking reaction. The energetic particles are marked with red circles in the reaction equation, and the resulting new construction is marked with blue circles. The cross-linking reaction equation is shown in Figure 3.

  2. Parameter settings: set the cross-linking temperature to 438 K, the initial reaction radius to 3.5 Å, the reaction radius increment to 0.5 Å, the maximum reaction radius to 8 Å, and the target cross-linking degree to 90%.

  3. The specific cross-linking process is shown in Figure 4.

Figure 3 Cross-linking reaction.
Figure 3

Cross-linking reaction.

Figure 4 The specific cross-linking process.
Figure 4

The specific cross-linking process.

2.4 Optimization of the model after cross-linking

The cross-linked model is used for subsequent parametric calculations, and structural optimization is required to eliminate the internal stresses in the system. The models were first geometry optimization and then five cycles of annealing with a total time of 100 ps at NVT in the temperature range of 300–650 K. After cyclic annealing, the model with the lowest potential energy was selected to perform in the NPT synthesis and then in the NVT synthesis. Both the temperature and time were set to 300 K and 100 ps. The final model was used for subsequent molecular simulation. The optimized cross-linking model is shown in Figure 5, and the part circled in blue is the newly generated bond of the cross-linking process.

Figure 5 Optimized model after cross-linking, showing: (a) ALSR, (b) ALSR-2, (c) bond generated by local cross-linking of the model.
Figure 5

Optimized model after cross-linking, showing: (a) ALSR, (b) ALSR-2, (c) bond generated by local cross-linking of the model.

The density change curve of the 50 ps model after the optimization process is shown in Figure 6. The density of each model reaches stability from 0.6 g‧cm−3 at the beginning of the build. The density of the ALSR reaches about 1 g‧cm−3, and the density of ALSR-1 and ALSR-2 reaches about 1.09 g‧cm−3, indicating that the built models achieve stability.

Figure 6 Density variation curves.
Figure 6

Density variation curves.

The Andersen and Berendsen methods were used to control the temperature and pressure during the simulation with a non-truncation radius of 1.0 nm. The COMPASSII force field was used throughout the simulation, and the van der Waals and electrostatic interactions were calculated by the Atom-based and Eward methods, respectively.

3 Thermal and mechanical properties calculations

3.1 Thermal conductivity

In this article, the thermal conductivity is calculated using the reverse nonequilibrium molecular dynamics (RNEMD) method, which has the advantage of fast convergence of the temperature gradient (31). The basic principle is that the model to be calculated is first divided into several layers (40 layers in this paper). Then, the outermost layers located at the two ends of the model are called hot layers, and the two layers found in the middle are called cold layers, as shown in Figure 7. The energy ΔE exchange is achieved by exchanging the kinetic energy between the coldest particle in the hot layer and the hottest particle in the cold layer during the time interval Δt, thus enabling the imposition of an energy flux J in the model.

(1) J = 1 2 A × Δ E Δ t

where A is the area modeled perpendicular to the direction of the energy flux.

Figure 7 RNEMD method.
Figure 7

RNEMD method.

After several energy exchanges, a stable temperature gradient will be formed in the system. According to Fourier’s law of heat transfer, the corresponding thermal conductivity λ is calculated as follows:

(2) λ = − J d T / d z

where dT/dz indicates the temperature gradient in the direction of the energy flux, and the negative sign indicates that the direction of the energy flux is always opposite to the temperature gradient.

During the model calculation, the thermal conductivity calculation was recreated by enlarging the z-direction to three times the x and y-direction, and the number and type of molecular chains contained in the cell remained unchanged. This step is to better delineate the layers along the z-direction. The thermal conductivity calculation is implemented through a Perl script, during which the kinetic energy is exchanged for the atoms, the force field is chosen from COMPASSII, and the time step is 0.1 fs.

The corresponding temperatures of the different layers in the process are shown in Figure 8. The temperature distribution of the calculated model is shown in Figure 9. The values of the thermal conductivity of the different types of silicone rubber were calculated and are shown in Table 2.

Figure 8 Corresponding temperature of different layers.
Figure 8

Corresponding temperature of different layers.

Figure 9 Temperature distribution of the calculated model.
Figure 9

Temperature distribution of the calculated model.

Table 2

Thermal conductivity of different types of silicone rubber

Type Thermal conductivity (W·m−1·K−1)
ALSR 0.177
ALSR-1 0.198
ALSR-2 0.184

It can be seen that the doped CNTs can improve the thermal conductivity of silicone rubber, and the enhancement effect is better when the radius of carbon nanotubes is smaller. The enhancement of ALSR-1 is 0.021 W·m−1·K−1 with a percentage of 11.86%, and that of ALSR-2 is 0.007 W·m−1·K−1 with a rate of 3%. Although the thermal conductivity of both models is improved compared with that of pure silicone rubber, the improvement effect is not very obvious, mainly because a single carbon nanotube cannot create a thermal conductivity channel and only relies on itself as a thermal conductivity carrier.

3.2 Glass transition temperature

The glass transition temperature (T g) of a polymer is the temperature at which the molecular chain segments of the polymer can be excited to move on a microscopic level (32). On a macroscopic level, it is the critical temperature at which the glassy and rubbery states of the polymer transition into each other. It is one of the characteristic temperatures of polymers.

Based on the characteristic that the density of the polymer changes significantly before and after T g, the T g of the material can be obtained from the polymer density–temperature relationship curve. There is an obvious inflection point in the density–temperature curve, and the density values corresponding to the temperatures on both sides of the inflection point are fitted linearly. T g is the temperature corresponding to the intersection of the two fitted curves. The linearly fitted density–temperature curves for all models are shown in Figure 10. The T g values for all models are shown in Table 3.

Figure 10 Linearly fitted density–temperature curve schematic, showing: (a) ALSR, (b) ALSR-1, (c) ALSR-2.
Figure 10

Linearly fitted density–temperature curve schematic, showing: (a) ALSR, (b) ALSR-1, (c) ALSR-2.

Table 3

T g of different types of silicone rubber

Type T g (K)
ALSR 162.29
ALSR-1 201.46
ALSR-2 195.65

The doped CNTs can increase the T g of silicone rubber, and the enhancement is more significant when the radius of carbon nanotubes is smaller. The T g of ALSR-1 is increased by 39.17 K with a rate of 24.14%, and that of ALSR-2 is increased by 33.36 K with a rate of 20.26%. This is probably because: CNTs have a strong adsorption effect, which can hinder the movement of the molecular chains of silicone rubber and make the molecular chains entwine more tightly with each other, so a higher temperature is needed to excite the direction of the molecular chains of silicone rubber. Its temperature is smaller than the average operating temperature of a dry-type onboard transformer. In the formal operation of dry type on-board transformer, silicone rubber can maintain an excellent high elastic state.

3.3 Thermal expansion rate

Thermal expansion is a change in material dimensions caused by external temperature changes. The volume of the model at the corresponding temperature can be obtained from the model after dynamical equilibrium at each temperature obtained when the T g was obtained previously and, further, get the temperature–volume-dependent data points. The model’s volume and temperature relationship points before and after T g were fitted linearly to get the corresponding temperature–volume fitting curves. The linearly fitted volume–temperature curves for all models are shown in Figure 11. The thermal expansion rate for all models is shown in Table 4.

Figure 11 Linearly fitted volume–temperature curve schematic, showing: (a) ALSR, (b) ALSR-1, (c) ALSR-2.
Figure 11

Linearly fitted volume–temperature curve schematic, showing: (a) ALSR, (b) ALSR-1, (c) ALSR-2.

Table 4

Thermal expansion rate of different types of silicone rubber

Type Thermal expansion rate (nm3‧K−1)
Before T g After T g
ALSR 2.86 × 10−2 5.13 × 10−2
ALSR-1 2.41 × 10−2 4.43 × 10−2
ALSR-2 3.34 × 10−2 5.79 × 10−2

It can be seen that doped CNTs can change the thermal expansion rate of silicone rubber, and the degree of change is closely related to the radius of carbon nanotubes. The small radius of CNTs can reduce the rate of thermal expansion, and the rate of thermal expansion increases instead with the increase in the radius of CNTs. This may be explained because adding CNTs with a small radius can hinder the movement of molecular chains of silicone rubber. However, as the radius of CNTs increases, some of the molecular chains of silicone rubber will enter the interior of CNTs, which leads to a decrease in the performance of the composite material and an increase in the thermal expansion rate.

3.4 Mechanical properties

Molecular dynamic simulations allow stress and strain analysis of systems undergoing small deformations to obtain parameters related to mechanical properties. Since silicone rubber is macroscopically close to an isotropic material, it can be approximated as an isotropic material whose stiffness matrix C ij can be simplified as follows (33):

(3) C ij = λ + 2 μ λ λ 0 0 0 λ λ + 2 μ λ 0 0 0 λ λ λ + 2 μ 0 0 0 0 0 0 μ 0 0 0 0 0 0 μ 0 0 0 0 0 0 μ

(4) λ = 1 6 ( C 12 + C 13 + C 21 + C 23 + C 31 + C 32 )

(5) μ = 1 3 ( C 44 + C 55 + C 66 )

where λ and μ are elastic constants, which can be obtained from the stiffness matrix. The parameters of bulk modulus (K), shear modulus (G), and Young’s modulus (E) can be obtained from λ and μ.

(6) K = λ + 2 3 μ

(7) G = μ

(8) E = μ 3 λ + 2 μ λ + μ

Static constant strain simulations were performed for the three models to obtain the stiffness matrix, and the sum of elastic constants for each system was derived according to Eqs. 4 and 5 to find the K, G, and E for each system.

As shown in Figure 12, the addition of CNTs can change the mechanical properties of silicone rubber, in which ALSR-1 increases the bulk modulus by 29.69%, Young’s modulus by 35.46%, and shear modulus by 38.14% compared with pure silicone rubber. It should be noted that the small radius CNTs improved the mechanical properties. However, the larger radius CNTs, on the contrary, reduced the mechanical properties of silicone rubber and made it worse than pure silicone rubber. This may be because: small radius CNTs rely on their strong mechanical properties and interfacial adsorption ability, and after adding silicone rubber, more molecular chains are adsorbed on its surface, and the hybrid system becomes more stable so that it is not easy to deform due to external forces. On the other hand, as the radius of CNTs increases, some of the molecular chains of silicone rubber will enter into the interior of CNTs, which leads to the degradation of the mechanical properties of the composite material.

Figure 12 Mechanical properties of different types of silicone rubber.
Figure 12

Mechanical properties of different types of silicone rubber.

4 Calculation of structural parameters

4.1 Radial distribution function

The radial distribution function (RDF) can reflect the characteristics of the material microstructure and reveal the nature of the interaction between non-bonded atoms, and the expression is as follows (34):

(9) g A − B ( r ) = n B V 4 π r 2 d r N B

where n B is the number of B atoms at a distance r around the A atom, N B is the total number of B atoms, and V is the volume of the whole system as shown in Figure 13.

Figure 13 RDF schematic.
Figure 13

RDF schematic.

The all-atom RDF for different architecture models is shown in Figure 14, and the local diagram of the architecture model is shown in Figure 15. It can be seen that there are no significant differences in the all-atomic RDF of different silicone rubbers.

Figure 14 All-atom RDF for different architecture models.
Figure 14

All-atom RDF for different architecture models.

Figure 15 Local diagram of the architecture model, showing: (a) C–H, (b) C–C, (c) Si–O, and (d) Si–C.
Figure 15

Local diagram of the architecture model, showing: (a) C–H, (b) C–C, (c) Si–O, and (d) Si–C.

The g(r) = 0 in the range less than 0.1 nm is due to the atoms’ van der Waals volume exclusion effect. The first peak appears at 0.11 nm for all three types of silicone rubber. The ALSR has a higher peak than the ALSR-1 and ALSR-2, as shown in circle 1 of Figure 14, indicating that a large number of C–H covalent bonds exist in all three types of silicone rubber, as shown in Figure 15a, and that other covalent bonds exist in the ALSR-1 and ALSR-2, thus affecting the proportion of C–H covalent bonds. A second peak appears at 0.138 nm for ALSR-1 and ALSR-2 and does not appear in ALSR, as shown in circle 2 of Figure 14, which corresponds to the C–C covalent bond within the system, as shown in Figure 15b, and its presence proves the effective doping of CNTs, which affects the height of the first peak to some extent. The peaks at about 0.165 and 0.185 nm correspond to covalent bonds between silicon atoms and oxygen and carbon atoms, as shown in Figure 15c and d. The positions of the remaining peaks are the distances between the atoms spacing the two chemical bonds. As r increases, g(r) tends to level off and converge to 1, which is usually considered evidence of the amorphous character of the polymer system.

4.2 Binding energy

The interfacial interaction of CNTs/ALSR composites is the interaction between CNTs and ALSR matrix, the size of the interfacial interaction affects the mechanical properties of the composite, and the intermolecular interaction energy usually characterizes the strength of the interfacial interaction. The interaction energy ΔE is calculated as follows:

(10) Δ E = E total − ( E CNT + E ALSR )

where E total is the total potential energy of the ALSR/CNTs composite model; E CNT is the total potential energy of CNTs after removing ALSR in ALSR/CNTs composite model; E ALSR is the total potential energy of ALSR after removing CNTs in ALSR/CNTs blended model. The binding energy E bind is the negative value of the interaction energy ΔE, E bind = −ΔE. The final calculation of the binding energy of different types of silicone rubber is shown in Table 5.

Table 5

Binding energy of different types of silicone rubber

Type E total (kcal‧mol−1) E CNT (kcal‧mol−1) E bind (kcal‧mol−1)
ALSR-1 −32,464.0 3,974.62 459.42
ALSR-2 −56,746.2 4,145.97 914.37

From Table 5, it can be seen that the binding energy of ALSR-1 is 459.42 kcal‧mol−1, and ALSR-2 is 914.37 kcal‧mol−1. It is reasonable to say that the performance of ALSR-2 is better than ALSR-1, but the result is not. This may be because: during the optimization process, the silicone rubber molecular chain passes through the large radius CNTs, and the structural properties of the composite CNTs play a more critical role in changing the thermodynamic properties of the composite compared to the binding energy.

4.3 Free volume

The space inside the polymer material is not entirely filled with polymer molecules; the polymer molecular chains only occupy part of the space, which is called the occupied volume. In contrast, the amount of space inside the polymer other than the occupied volume is called the free volume, which provides space for moving polymer molecular chains (35). A larger free volume indicates a looser stacking of molecules, and the free volume’s size directly affects the properties of the polymer material. The free volumes of different types of silicone rubber models were calculated separately by creating Connery surfaces, and the free volume characteristics of the models were investigated by comparing the magnitude of the free volume fraction, φ FFV, which is calculated as follows:

(11) φ FVV = V f V 0 + V f

where V 0 denotes the occupied volume and V f denotes the free volume.

As seen from Table 6, the free volume fraction of different types of silicone rubber composites decreases after the addition of CNTs, since the addition of CNTs hinders the movement of the molecular chains of silicone rubber, resulting in a smaller range of molecular chain movement.

Table 6

Free volume fraction of different types of silicone rubber

Type φ FFV (%)
ALSR 22.14
ALSR-1 20.74
ALSR-2 19.78

4.4 Mean square displacement

Atoms are always in constant motion in any system, and the mean square displacement (MSD) can describe the ability of molecular chains to move in the system. In a system containing N particles, the MSD is defined as follows:

(12) d MSD = 1 3 N ∑ i = 0 N − 1 ( | R i ( t ) − R i ( 0 ) | 2 )

where R i (t) and R i (0) denote the displacement vectors of any atom i in the system at the moment t and the initial moment, respectively.

As shown in Figure 16, with the increase of time, the MSD of each system shows an increasing trend, and the MSD of the system doped with CNTs decreases than that of the pure silicone rubber system, and the ALSR-1 is smaller. On the one hand, the adsorption property of CNTs makes the system stable, and the motion of molecular chain segments is weakened; on the other hand, during the optimization process, the molecular chain of silicone rubber passes through the large radius CNTs, which makes its stabilization effect weakened.

Figure 16 MSD curves in 30 ps for different systems.
Figure 16

MSD curves in 30 ps for different systems.

4.5 Internal structure of CNTs

As shown in Figure 17, in ALSR-1, no molecular chains are passing through the small radius CNT; in ALSR-2, some molecular chains are passing through the large radius CNT. When the radius of CNT is too large, some of the molecular matrix chains will enter its interior. Subsequently, the interaction of CNT with the internal matrix molecular chains has an effect that leads to the degradation of the thermomechanical properties of the large radius CNT composites, thus significantly reducing the reinforcing effect of carbon nanotubes on silicone rubber. Meanwhile, the structural properties of the CNTs themselves in the composites play a more critical role in enhancing the thermodynamic properties of the composites than the binding energy and free volume.

Figure 17 Schematic diagram of two composite silicone rubber models of CNT, showing” (a) inside CNT-1, (b) inside CNT-2.
Figure 17

Schematic diagram of two composite silicone rubber models of CNT, showing” (a) inside CNT-1, (b) inside CNT-2.

5 Conclusion

  1. The doping of CNTs can change composite silicone rubber materials’ thermal and mechanical properties. The doping of CNTs with a small radius increases the composites’ thermal conductivity, glass transition temperature, and mechanical properties and decreases the thermal expansion rate. Although large radius CNTs can increase the composites’ thermal conductivity and glass transition temperature, reduce the mechanical properties, and increase the thermal expansion rate of the composites.

  2. The effects of CNTs with different radii on silicone rubber composites’ thermal and mechanical properties are different. The enhancement effect on the composites is more significant for CNT-1. The thermal conductivity was enhanced by 11.86%, glass transition temperature by 24.14%, bulk modulus by 29.69%, Young’s modulus by 35.46%, and shear modulus by 38.14%.

  3. The doping of CNTs changed the microstructure of the composites. The free volume percentage and MSD were reduced to different degrees. It is noteworthy that the molecular chains pass through the large radius CNTs during the modeling and optimization process. The structural properties of the composite CNTs themselves play a more critical role in the enhancement effect of the thermodynamic properties of the composites compared to the binding energy and free volume.

  1. Funding information: This project was supported by the National Natural Science Foundation of China (U1834203), Sichuan Science and Technology Program (Youth Science and Technology Innovation Research Team Project) (2020JDTD0009), Fundamental Research Funds for the Central Universities (2682022CX015), and National Natural Science Foundation of China (52207180).

  2. Author contributions: Lei Guo: writing – review and editing; Haiyun Xu: writing – original draft, conceptualization, formal analysis; Nenghang Wu: methodology, resources, data curation; Shuai Yuan: methodology, resources, data curation; Lijun Zhou: funding acquisition; Dongyang Wang: validation, writing – review and editing; Lujia Wang: visualization.

  3. Conflict of interest: Authors state no conflict of interest.

  4. Data availability statement: The data presented in this study are available on request from the corresponding author.

References

(1) Ronanki D, Singh SA, Williamson SS. Comprehensive topological overview of rolling stock architectures and recent trends in electric railway traction systems. IEEE Trans Transp Electrif. 2017;3(3):724–38.10.1109/TTE.2017.2703583Suche in Google Scholar

(2) Yuan S, Zhou L, Cai F, Wang D, Wang L, Lin H. A lightweight optimization study for large capacity dry-type on-board traction transformer of EMU based on CFD and RSM. IEEE Trans Transp Electrif. 2022. 10.1109/TTE.2022.3224503.Suche in Google Scholar

(3) Yuan S, Zhou L, Gou X, Zhu Q, Ding S, Wang L, et al. Modeling method for thermal field of turbulent cooling dry-type on-board traction transformer in EMUs. IEEE Trans Transp Electrif. 2022;8(1):298–311.10.1109/TTE.2021.3097876Suche in Google Scholar

(4) Zhou L, Yuan S, Zhu Q, Wang D, Wang L. Transient thermal network model for train-induced wind cooling dry-type on-board traction transformer in electric multiple units. High Volt. 2022. 10.1049/hve2.12272.Suche in Google Scholar

(5) Yuan S, Zhou L, Chen T, Wang D, Wang L. Thermally conductive h-BN/EHTPB/epoxy composites with enhanced toughness for on-board traction transformers. E-Polymers. 2022;22(1):821–33.10.1515/epoly-2022-0076Suche in Google Scholar

(6) Guo L, Ding S, Yuan S, Gou X, Cai F, Wang D, et al. Study on the thermal properties and insulation resistance of epoxy resin modified by hexagonal boron nitride. E-Polymers. 2021;21(1):681–90.10.1515/epoly-2021-0069Suche in Google Scholar

(7) Dang Z, Xia Y, Zha J, Yuan J, Bai J. Preparation and dielectric properties of surface modified TiO2/silicone rubber nanocomposites. Mater Lett. 2011;65(23-24):3430–2.10.1016/j.matlet.2011.07.056Suche in Google Scholar

(8) Lipomi DJ, Vosgueritchian M, Tee BC, Hellstrom SL, Lee JA, Fox CH, et al. Skin-like pressure and strain sensors based on transparent elastic films of carbon nanotubes. Nat Nanotechnol. 2011;6(12):788–92.10.1038/nnano.2011.184Suche in Google Scholar PubMed

(9) Koné D, Ghunem RA, Cissé L, Hadjadj Y, El-Hag AH. Effect of residue formed during the AC and DC dry-band arcing on silicone rubber filled with natural silica. IEEE Trans Dielectr Electr Insul. 2019;26(5):1620–6.10.1109/TDEI.2019.008203Suche in Google Scholar

(10) Zhang B, Zou J, An L, Ji C, Huang X, Liu W, et al. The effects of the hexagonal boron nitride nanoflake properties on the thermal conductivity of hexagonal boron nitride nanoflake/silicone rubber composites. Compos Part A Appl Sci. 2019;127:105629.10.1016/j.compositesa.2019.105629Suche in Google Scholar

(11) Kuo C, Lin J. Fabrication of the Fresnel lens with liquid silicone rubber using rapid injection mold. Int J Adv Manuf Technol. 2019;101(1-4):615–25.10.1007/s00170-018-2964-zSuche in Google Scholar

(12) Delebecq E, Ganachaud F. Looking over liquid silicone rubbers: (1) Network topology vs chemical formulations. ACS Appl Mater Interfaces. 2012;4(7):3340–52.10.1021/am300502rSuche in Google Scholar PubMed

(13) Chen C, Jia Z, Wang X, Lu H, Guan Z, Yang C. Micro characterization and degradation mechanism of liquid silicone rubber used for external insulation. IEEE Trans Dielectr Electr Insul. 2015;22(1):313–21.10.1109/TDEI.2014.004188Suche in Google Scholar

(14) Zou Z, Wu W, Wang Y, Wang L. Enhancement of thermal conductivity and tensile strength of liquid silicone rubber by three-dimensional alumina network. Soft Mater. 2019;17(3):297–307.10.1080/1539445X.2019.1601110Suche in Google Scholar

(15) Schubert DW, Werner S, Hahn I, Solovieva V. Effect of particle size and size distribution on the permeability of soft magnetic liquid silicone rubber composites. Compos Sci Technol. 2019;177:26–33.10.1016/j.compscitech.2019.04.005Suche in Google Scholar

(16) Ou Z, Gao F, Zhao H, Dang S, Zhu L. Research on the thermal conductivity and dielectric properties of AlN and BN co-filled addition-cure liquid silicone rubber composites. RSC Adv. 2019;9(49):28851–6.10.1039/C9RA04771ASuche in Google Scholar

(17) Zhao Y, Sun D. A novel sintering-dissolution process for manufacturing Al foams. Scr Mater. 2001;44(1):105–10.10.1016/S1359-6462(00)00548-0Suche in Google Scholar

(18) Pradhan B, Srivastava SK. Layered double hydroxide/multiwalled carbon nanotube hybrids as reinforcing filler in silicone rubber. Compos Part A Appl Sci Manuf. 2014;56:290–9.10.1016/j.compositesa.2013.10.011Suche in Google Scholar

(19) Bokobza L. Multiwall carbon nanotube elastomeric composites: A review. Polymer. 2007;48(17):4907–20.10.1016/j.polymer.2007.06.046Suche in Google Scholar

(20) Li Z, Li Q, Shang S, Li L, Yang X, Yu X, et al. Sensing behaviors of polymer/carbon nanotubes composites prepared in reversed microemulsion polymerization. J Appl Polym Sci. 2011;119(3):1842–7.10.1002/app.32894Suche in Google Scholar

(21) Kumar V, Lee G, Singh K, Choi J, Lee D. Structure-property relationship in silicone rubber nanocomposites reinforced with carbon nanomaterials for sensors and actuators. Sens Actuator A Phys. 2020;303:111712.10.1016/j.sna.2019.111712Suche in Google Scholar

(22) Liu W, Jiang X, Guo J. Effect of filler orientation induced by force on thermal conductivity of ALN/BN/CNTs/SR composites. J Mater Eng. 2022;50(2):127–34.Suche in Google Scholar

(23) Shang S, Gan L, Yuen MC, Jiang S, Luo NM. Carbon nanotubes based high temperature vulcanized silicone rubber nanocomposite with excellent elasticity and electrical properties. Compos Part A Appl Sci Manuf. 2014;66:135–41.10.1016/j.compositesa.2014.07.014Suche in Google Scholar

(24) Nam TH, Goto K, Yamaguchi Y, Premalal E, Shimamura Y, Inoue Y, et al. Effects of CNT diameter on mechanical properties of aligned CNT sheets and composites. Compos Part A Appl Sci Manuf. 2015;76:289–98.10.1016/j.compositesa.2015.06.009Suche in Google Scholar

(25) Wang T, Li D, Zhang G. Molecular dynamics simulations of interface properties and key physical properties of nanodielectrics manufactured with epoxy resin doped with metal nanoparticles. IEEE Access. 2021;9:34231–39.10.1109/ACCESS.2021.3061824Suche in Google Scholar

(26) Xiao M, Fan K, Feng X. Properties of Epoxy-POSS composites at low temperature based on molecular dynamics simulation. IEEE Trans Appl Supercond. 2021;31(8):7800504.10.1109/TASC.2021.3094421Suche in Google Scholar

(27) Zhao Z, Wang G, Liu H, Yang J, Wu H, Liu Q. Molecular dynamics on cracking mechanism of oil-pressboard insulation under electric-thermal coupling. IEEE Trans Dielectr Electr Insul. 2022;29(5):1675–84.10.1109/TDEI.2022.3193343Suche in Google Scholar

(28) Chawla R, Sharma S. A molecular dynamics study on Young’s modulus and tribology of carbon nanotube reinforced styrene-butadiene rubber. J Mol Model. 2018;24(4):1.10.1007/s00894-018-3636-5Suche in Google Scholar PubMed

(29) Chawla R, Dhawan M, Sharma S. A molecular dynamics study to predict the friction and wear behavior of carbon nanotube reinforced styrene-butadiene rubber. Proc Inst Mech Eng Part J J Eng Tribol. 2019;233(10):1565–73.10.1177/1350650119836812Suche in Google Scholar

(30) Liang Y, Gao T, Wang X, Sun M, Gao L. Electric field intensity effects on the microstructural characteristics evolution of methyl vinyl silicone rubber via molecular simulation. Molecules. 2018;23(8):1861.10.3390/molecules23081861Suche in Google Scholar PubMed PubMed Central

(31) Liu X, Rao Z. Molecular dynamics simulations on the heat and mass transfer of hypercrosslinked shell structure of phase change nanocapsules as thermal energy storage materials. Int J Heat Mass Transf. 2019;132:362–74.10.1016/j.ijheatmasstransfer.2018.12.009Suche in Google Scholar

(32) Xie Q, Fu K, Liang S, Liu B, Lu L, Yang X, et al. Micro-structure and thermomechanical properties of crosslinked epoxy composite modified by nano-SiO2: A molecular dynamics simulation. Polymers. 2018;10(7):801.10.3390/polym10070801Suche in Google Scholar PubMed PubMed Central

(33) Shokuhfar A, Arab B. The effect of cross linking density on the mechanical properties and structure of the epoxy polymers: Molecular dynamics simulation. J Mol Model. 2013;19(9):3719–31.10.1007/s00894-013-1906-9Suche in Google Scholar PubMed

(34) Wei Q, Zhang Y, Wang Y, Yang M. A molecular dynamic simulation method to elucidate the interaction mechanism of nano-SiO2 in polymer blends. J Mater Sci. 2017;52(21):12889–901.10.1007/s10853-017-1330-0Suche in Google Scholar

(35) Yin F, Tang C, Li X, Wang X. Effect of moisture on mechanical properties and thermal stability of meta-aramid fiber used in insulating paper. Polymers. 2017;9(10):537.10.3390/polym9100537Suche in Google Scholar PubMed PubMed Central

Received: 2022-11-30
Revised: 2023-01-20
Accepted: 2023-01-26
Published Online: 2023-02-22

© 2023 the author(s), published by De Gruyter

This work is licensed under the Creative Commons Attribution 4.0 International License.

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  3. Effect of Zr-doped CaCu3Ti3.95Zr0.05O12 ceramic on the microstructure, dielectric properties, and electric field distribution of the LDPE composites
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  5. Loading conditions impact on the compression fatigue behavior of filled styrene butadiene rubber
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  17. Effect of different proportions of CNTs/Fe3O4 hybrid filler on the morphological, electrical and electromagnetic interference shielding properties of poly(lactic acid) nanocomposites
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  24. Copper phenyl phosphonate for epoxy resin and cyanate ester copolymer with improved flame retardancy and thermal properties
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  27. The role of natural hybrid nanobentonite/nanocellulose in enhancing the water resistance properties of the biodegradable thermoplastic starch
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  38. Molecular dynamics simulations of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50) and TKX-50-based PBXs with four energetic binders
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  59. High strength, anti-static, thermal conductive glass fiber/epoxy composites for medical devices: A strategy of modifying fibers with functionalized carbon nanotubes
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  61. Bentonite/hydroxyethylcellulose as eco-dielectrics with potential utilization in energy storage
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  70. Enhancing the therapeutic efficacy of Krestin–chitosan nanocomplex for cancer medication via activation of the mitochondrial intrinsic pathway
  71. Variation in tungsten(vi) oxide particle size for enhancing the radiation shielding ability of silicone rubber composites
  72. Damage accumulation and failure mechanism of glass/epoxy composite laminates subjected to repeated low velocity impacts
  73. Gamma-ray shielding analysis using the experimental measurements for copper(ii) sulfate-doped polyepoxide resins
  74. Numerical simulation into influence of airflow channel quantities on melt-blowing airflow field in processing of polymer fiber
  75. Cellulose acetate oleate-reinforced poly(butylene adipate-co-terephthalate) composite materials
  76. Radiation shielding capability and exposure buildup factor of cerium(iv) oxide-reinforced polyester resins
  77. Recyclable polytriazole resins with high performance based on Diels-Alder dynamic covalent crosslinking
  78. Adsorption and recovery of Cr(vi) from wastewater by Chitosan–Urushiol composite nanofiber membrane
  79. Comprehensive performance evaluation based on electromagnetic shielding properties of the weft-knitted fabrics made by stainless steel/cotton blended yarn
  80. Review Articles
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  82. Wood-derived high-performance cellulose structural materials
  83. Flammability properties of polymers and polymer composites combined with ionic liquids
  84. Polymer-based nanocarriers for biomedical and environmental applications
  85. A review on semi-crystalline polymer bead foams from stirring autoclave: Processing and properties
  86. Rapid Communication
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  88. Special Issue: Biodegradable and bio-based polymers: Green approaches (Guest Editors: Kumaran Subramanian, A. Wilson Santhosh Kumar, and Venkatajothi Ramarao)
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  91. Effect of citric acid on thermal, phase morphological, and mechanical properties of poly(l-lactide)-b-poly(ethylene glycol)-b-poly(l-lactide)/thermoplastic starch blends
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https://doi.org/10.1515/epoly-2022-8105
Schlagwörter für diesen Artikel
polymer; doped carbon nanotubes; molecular dynamic simulation; thermodynamic properties
Creative Commons
BY 4.0

Artikel in diesem Heft

  1. Research Articles
  2. Chitosan nanocomposite film incorporating Nigella sativa oil, Azadirachta indica leaves’ extract, and silver nanoparticles
  3. Effect of Zr-doped CaCu3Ti3.95Zr0.05O12 ceramic on the microstructure, dielectric properties, and electric field distribution of the LDPE composites
  4. Effects of dry heating, acetylation, and acid pre-treatments on modification of potato starch with octenyl succinic anhydride (OSA)
  5. Loading conditions impact on the compression fatigue behavior of filled styrene butadiene rubber
  6. Characterization and compatibility of bio-based PA56/PET
  7. Study on the aging of three typical rubber materials under high- and low-temperature cyclic environment
  8. Numerical simulation and experimental research of electrospun polyacrylonitrile Taylor cone based on multiphysics coupling
  9. Experimental investigation of properties and aging behavior of pineapple and sisal leaf hybrid fiber-reinforced polymer composites
  10. Influence of temperature distribution on the foaming quality of foamed polypropylene composites
  11. Enzyme-catalyzed synthesis of 4-methylcatechol oligomer and preliminary evaluations as stabilizing agent in polypropylene
  12. Molecular dynamics simulation of the effect of the thermal and mechanical properties of addition liquid silicone rubber modified by carbon nanotubes with different radii
  13. Incorporation of poly(3-acrylamidopropyl trimethylammonium chloride-co-acrylic acid) branches for good sizing properties and easy desizing from sized cotton warps
  14. Effect of matrix composition on properties of polyamide 66/polyamide 6I-6T composites with high content of continuous glass fiber for optimizing surface performance
  15. Preparation and properties of epoxy-modified thermosetting phenolic fiber
  16. Thermal decomposition reaction kinetics and storage life prediction of polyacrylate pressure-sensitive adhesive
  17. Effect of different proportions of CNTs/Fe3O4 hybrid filler on the morphological, electrical and electromagnetic interference shielding properties of poly(lactic acid) nanocomposites
  18. Doping silver nanoparticles into reverse osmosis membranes for antibacterial properties
  19. Melt-blended PLA/curcumin-cross-linked polyurethane film for enhanced UV-shielding ability
  20. The affinity of bentonite and WO3 nanoparticles toward epoxy resin polymer for radiation shielding
  21. Prolonged action fertilizer encapsulated by CMC/humic acid
  22. Preparation and experimental estimation of radiation shielding properties of novel epoxy reinforced with Sb2O3 and PbO
  23. Fabrication of polylactic acid nanofibrous yarns for piezoelectric fabrics
  24. Copper phenyl phosphonate for epoxy resin and cyanate ester copolymer with improved flame retardancy and thermal properties
  25. Synergistic effect of thermal oxygen and UV aging on natural rubber
  26. Effect of zinc oxide suspension on the overall filler content of the PLA/ZnO composites and cPLA/ZnO composites
  27. The role of natural hybrid nanobentonite/nanocellulose in enhancing the water resistance properties of the biodegradable thermoplastic starch
  28. Performance optimization of geopolymer mortar blending in nano-SiO2 and PVA fiber based on set pair analysis
  29. Preparation of (La + Nb)-co-doped TiO2 and its polyvinylidene difluoride composites with high dielectric constants
  30. Effect of matrix composition on the performance of calcium carbonate filled poly(lactic acid)/poly(butylene adipate-co-terephthalate) composites
  31. Low-temperature self-healing polyurethane adhesives via dual synergetic crosslinking strategy
  32. Leucaena leucocephala oil-based poly malate-amide nanocomposite coating material for anticorrosive applications
  33. Preparation and properties of modified ammonium polyphosphate synergistic with tris(2-hydroxyethyl) isocynurate for flame-retardant LDPE
  34. Thermal response of double network hydrogels with varied composition
  35. The effect of coated calcium carbonate using stearic acid on the recovered carbon black masterbatch in low-density polyethylene composites
  36. Investigation of MXene-modified agar/polyurethane hydrogel elastomeric repair materials with tunable water absorption
  37. Damping performance analysis of carbon black/lead magnesium niobite/epoxy resin composites
  38. Molecular dynamics simulations of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50) and TKX-50-based PBXs with four energetic binders
  39. Preparation and characterization of sisal fibre reinforced sodium alginate gum composites for non-structural engineering applications
  40. Study on by-products synthesis of powder coating polyester resin catalyzed by organotin
  41. Ab initio molecular dynamics of insulating paper: Mechanism of insulating paper cellobiose cracking at transient high temperature
  42. Effect of different tin neodecanoate and calcium–zinc heat stabilizers on the thermal stability of PVC
  43. High-strength polyvinyl alcohol-based hydrogel by vermiculite and lignocellulosic nanofibrils for electronic sensing
  44. Impacts of micro-size PbO on the gamma-ray shielding performance of polyepoxide resin
  45. Influence of the molecular structure of phenylamine antioxidants on anti-migration and anti-aging behavior of high-performance nitrile rubber composites
  46. Fiber-reinforced polyvinyl alcohol hydrogel via in situ fiber formation
  47. Preparation and performance of homogenous braids-reinforced poly (p-phenylene terephthamide) hollow fiber membranes
  48. Synthesis of cadmium(ii) ion-imprinted composite membrane with a pyridine functional monomer and characterization of its adsorption performance
  49. Impact of WO3 and BaO nanoparticles on the radiation shielding characteristics of polydimethylsiloxane composites
  50. Comprehensive study of the radiation shielding feature of polyester polymers impregnated with iron filings
  51. Preparation and characterization of polymeric cross-linked hydrogel patch for topical delivery of gentamicin
  52. Mechanical properties of rCB-pigment masterbatch in rLDPE: The effect of processing aids and water absorption test
  53. Pineapple fruit residue-based nanofibre composites: Preparation and characterizations
  54. Effect of natural Indocalamus leaf addition on the mechanical properties of epoxy and epoxy-carbon fiber composites
  55. Utilization of biosilica for energy-saving tire compounds: Enhancing performance and efficiency
  56. Effect of capillary arrays on the profile of multi-layer micro-capillary films
  57. A numerical study on thermal bonding with preheating technique for polypropylene microfluidic device
  58. Development of modified h-BN/UPE resin for insulation varnish applications
  59. High strength, anti-static, thermal conductive glass fiber/epoxy composites for medical devices: A strategy of modifying fibers with functionalized carbon nanotubes
  60. Effects of mechanical recycling on the properties of glass fiber–reinforced polyamide 66 composites in automotive components
  61. Bentonite/hydroxyethylcellulose as eco-dielectrics with potential utilization in energy storage
  62. Study on wall-slipping mechanism of nano-injection polymer under the constant temperature fields
  63. Synthesis of low-VOC unsaturated polyester coatings for electrical insulation
  64. Enhanced apoptotic activity of Pluronic F127 polymer-encapsulated chlorogenic acid nanoparticles through the PI3K/Akt/mTOR signaling pathway in liver cancer cells and in vivo toxicity studies in zebrafish
  65. Preparation and performance of silicone-modified 3D printing photosensitive materials
  66. A novel fabrication method of slippery lubricant-infused porous surface by thiol-ene click chemistry reaction for anti-fouling and anti-corrosion applications
  67. Development of polymeric IPN hydrogels by free radical polymerization technique for extended release of letrozole: Characterization and toxicity evaluation
  68. Tribological characterization of sponge gourd outer skin fiber-reinforced epoxy composite with Tamarindus indica seed filler addition using the Box–Behnken method
  69. Stereocomplex PLLA–PBAT copolymer and its composites with multi-walled carbon nanotubes for electrostatic dissipative application
  70. Enhancing the therapeutic efficacy of Krestin–chitosan nanocomplex for cancer medication via activation of the mitochondrial intrinsic pathway
  71. Variation in tungsten(vi) oxide particle size for enhancing the radiation shielding ability of silicone rubber composites
  72. Damage accumulation and failure mechanism of glass/epoxy composite laminates subjected to repeated low velocity impacts
  73. Gamma-ray shielding analysis using the experimental measurements for copper(ii) sulfate-doped polyepoxide resins
  74. Numerical simulation into influence of airflow channel quantities on melt-blowing airflow field in processing of polymer fiber
  75. Cellulose acetate oleate-reinforced poly(butylene adipate-co-terephthalate) composite materials
  76. Radiation shielding capability and exposure buildup factor of cerium(iv) oxide-reinforced polyester resins
  77. Recyclable polytriazole resins with high performance based on Diels-Alder dynamic covalent crosslinking
  78. Adsorption and recovery of Cr(vi) from wastewater by Chitosan–Urushiol composite nanofiber membrane
  79. Comprehensive performance evaluation based on electromagnetic shielding properties of the weft-knitted fabrics made by stainless steel/cotton blended yarn
  80. Review Articles
  81. Preparation and application of natural protein polymer-based Pickering emulsions
  82. Wood-derived high-performance cellulose structural materials
  83. Flammability properties of polymers and polymer composites combined with ionic liquids
  84. Polymer-based nanocarriers for biomedical and environmental applications
  85. A review on semi-crystalline polymer bead foams from stirring autoclave: Processing and properties
  86. Rapid Communication
  87. Preparation and characterization of magnetic microgels with linear thermosensitivity over a wide temperature range
  88. Special Issue: Biodegradable and bio-based polymers: Green approaches (Guest Editors: Kumaran Subramanian, A. Wilson Santhosh Kumar, and Venkatajothi Ramarao)
  89. Synthesis and characterization of proton-conducting membranes based on bacterial cellulose and human nail keratin
  90. Fatigue behaviour of Kevlar/carbon/basalt fibre-reinforced SiC nanofiller particulate hybrid epoxy composite
  91. Effect of citric acid on thermal, phase morphological, and mechanical properties of poly(l-lactide)-b-poly(ethylene glycol)-b-poly(l-lactide)/thermoplastic starch blends
  92. Dose-dependent cytotoxicity against lung cancer cells via green synthesized ZnFe2O4/cellulose nanocomposites
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