Molecular dynamics simulation on thermophysics of paraffin/EVA/graphene nanocomposites as phase change materials

Zhang, Muxing; Wang, Changling; Luo, Ailian; Liu, Zhenghao; Zhang, Xiaosong

doi:10.1016/j.applthermaleng.2019.114639

Cited by 49 publications

(16 citation statements)

References 39 publications

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“…The results also confirm that the addition of graphene limit the fluidity of the EVA molecular chains. In addition, Zhang et al [53] recently studied the thermophysical properties of paraffin/EVA/graphene nanocomposites by MD simulations. And their simulation results show that when the content of graphene is higher than 3.6 wt%, graphene showed a limiting effect on the mobility of EVA molecular chains, which is consistent with our simulation results that graphene has a limiting effect on EVA molecular chains mobility.…”

Section: Resultsmentioning

confidence: 99%

Effect of graphene on thermal stability and mechanical properties of ethylene-vinyl acetate: a molecular dynamics simulation

Shi

Yang

Zhou³

et al. 2020

Mater. Res. Express

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Graphene has an important positive impact on improving polymer material properties, making the application of composite materials widely available. This paper investigates the influence of graphene on the thermal and mechanical properties of Ethylene-vinyl acetate (EVA) by the molecular dynamics (MD) simulations. The thermostability and mechanical properties of the graphene/EVA nanocomposites are analyzed in terms of the glass transition temperature (T g ), mean-square displacement (MSD), modulus, interfacial binding energy (IBE), stress-strain relationship, yield strength, and tensile strength. The influences of the size of graphene on the thermal stability and mechanical properties of EVA are analyzed and discussed. The simulation result indicated that the glass transition temperature, modulus, yield strength, and ultimate strength of the nanocomposites are higher than that of pristine EVA, which is in good consistent with recent experiments. We attribute this finding to the fact that the strong interfacial bonding of graphene to EVA limits the fluidity of the EVA chains and improves the thermal stability and strength of the graphene/EVA composites. The incorporation of graphene enhanced the thermal stability and mechanical properties of EVA.

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Section: Resultsmentioning

confidence: 99%

Effect of graphene on thermal stability and mechanical properties of ethylene-vinyl acetate: a molecular dynamics simulation

Shi

Yang

Zhou³

et al. 2020

Mater. Res. Express

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“…PCMs are good materials for the storage of thermal energy, and therefore have received much attention in recent years. [1][2][3][4][5][6][7] Proper PCMs must have a suitable phase transition temperature, large specic and latent heat and high thermal conductivity. 8 Straight chain n-alkanes (which are also known as paraffins) have high latent heat, low vapor pressure, low supercooling, and high thermal and chemical stability, and therefore have been broadly used as PCMs in experimental and theoretical investigations.…”

Section: Introductionmentioning

confidence: 99%

“…4 Due to the high demands for clean, economic, and recyclable energy, EPCMs have been the subject of numerous experimental investigations in recent years. 1,3,[23][24][25][26][27] For example, Choi et al 23 prepared EPCMs via in situ polymerization. Specically, they loaded microcapsules with tetradecane as the core and melamine formaldehyde as the shell.…”

Section: Introductionmentioning

confidence: 99%

“…However, although there are numerous experimental investigations on EPCMs, molecular dynamics (MD) simulations are rarely applied in the investigation EPCMs because of their complex structures. 1,3,4 Rao et al 4 investigated the melting process of nanocapsulated PCMs using MD simulations. They constructed EPCMs using n-octadecane molecules as the core and SiO 2 as the shell.…”

Section: Introductionmentioning

confidence: 99%

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Investigation of the thermal properties of phase change materials encapsulated in capped carbon nanotubes using molecular dynamics simulations

et al. 2021

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“…Energy storage technologies can solve this problem. Thermal energy storage is greatly used in people's lives, and phase change materials are popular in recent years, employed in many commercial applications where stable temperatures are required [5,6]. The potential market of phase change materials includes building heating/cooling [7], heatsink [8], clothing [9], etc.…”

Section: Introductionmentioning

confidence: 99%

The Effect of Dynamic Cold Storage Packed Bed on Liquid Air Energy Storage in an Experiment Scale

Bian

Wang

Wang³

et al. 2021

Energies

Self Cite

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Liquid air energy storage (LAES) is one of the most promising large-scale energy storage technologies for the decarburization of networks. When electricity is needed, the liquid air is utilized to generate electricity through expansion, while the cold energy from liquid air evaporation is stored and recovered in the air liquefaction process. The packed bed filled with rocks/pebbles for cold storage is more suitable for real-world application in the near future compared to the fluids for cold storage. A standalone LAES system with packed bed energy storage is proposed in our previous work. However, the utilization of pressurized air for heat transfer fluid in the cold storage packed bed (CSPB) is confusing, and the effect of the CSPB on the system level should be further discussed. To address these issues, the dynamic performance of the CSPB is analyzed with the physical properties of the selected cold storage materials characterized. The system simulation is conducted in an experiment scale with and without considering the exergy loss of the CSPB for comparison. The simulation results show that the proposed LAES system has an ideal round trip efficiency (RTE) of 39.38–52.91%. With the consideration of exergy destruction of the CSPB, the RTE decreases by 19.91%. Furthermore, increasing the cold storage pressure reasonably is beneficial to the exergy efficiency of the CSPB, whether it is non-supercritical (0.1 MPa–3 MPa) or supercritical (4 MPa–9 MPa) air. These findings will give guidance and prediction to the experiments of the LAES and finally promote the development of the industrial application.

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Molecular dynamics simulation on thermophysics of paraffin/EVA/graphene nanocomposites as phase change materials

Cited by 49 publications

References 39 publications

Effect of graphene on thermal stability and mechanical properties of ethylene-vinyl acetate: a molecular dynamics simulation

Effect of graphene on thermal stability and mechanical properties of ethylene-vinyl acetate: a molecular dynamics simulation

Investigation of the thermal properties of phase change materials encapsulated in capped carbon nanotubes using molecular dynamics simulations

The Effect of Dynamic Cold Storage Packed Bed on Liquid Air Energy Storage in an Experiment Scale

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