Thermal Properties of the Mixed n-Octadecane/Cu Nanoparticle Nanofluids during Phase Transition: A Molecular Dynamics Study

Li, Qibin; Yu, Yinsheng; Liu, Yilun; Liu, Chao; Lin, Liyang

doi:10.3390/ma10010038

Cited by 42 publications

(13 citation statements)

References 18 publications

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“…Further, excess heat is released by the MOHCs during the condensation process as a consequence of the exothermic adsorption of refrigerant molecules into MOF particles. Additionally, the thermal conductivity of the working fluid is enhanced by adding nanoparticles [ 4 ]. The reported research works [ 5 , 6 ] indicated that the enhancement of the thermal properties of nanofluid are mainly due to the effective medium theory.…”

Section: Introductionmentioning

confidence: 99%

Thermal Energy Storage of R1234yf, R1234ze, R134a and R32/MOF-74 Nanofluids: A Molecular Simulation Study

Liu

2018

Materials

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Thermal energy storage can be carried out by working fluid adsorbing and desorbing in porous materials. In this paper, the energy storage properties of four refrigerants, R1234yf, R1234ze, R134a and R32, with M-metal organic framework (MOF)-74 (M = Zn, Ni, Mg, Co) nanoparticles are investigated using molecular dynamics simulations and grand canonical Monte Carlo simulations. The results show that M-MOF-74 can adsorb more R32 and R134a than R1234yf and R1234ze, as the molecular structures of R32 and R134a are smaller than those of R1234yf and R1234ze. Mg-MOF-74 owns a higher adsorbability than the other MOFs. The energy storage properties of the studied refrigerants can be enhanced when the sum of thermodynamic energy change of MOF particles and the desorption heat of fluid in MOFs is larger than the enthalpy change of pure organic fluid. The R1234yf/M-MOF-74 (M = Co, Mg, Ni) nanofluid can store more energy than other refrigerants/M-MOF-74 (M = Co, Mg, Ni) nanofluid. The energy storage enhancement ratios of R1234yf, R1234ze and R134a with Mg-MOF-74 nanoparticles are higher than those of other M-MOF-74 (M = Co, Ni, Zn) materials.

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Section: Introductionmentioning

confidence: 99%

Thermal Energy Storage of R1234yf, R1234ze, R134a and R32/MOF-74 Nanofluids: A Molecular Simulation Study

Liu

2018

Materials

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“…Dispersing nanoparticles into traditional working fluids, e.g., water, alcohol, oil, and refrigerants, to produce uniform and stable nanofluids can effectively improve the thermal conductivity of working fluids [ 3 , 4 , 5 , 6 ]. Nanofluids have great prospects for application in the fields of energy, chemical engineering, automobiles, building and construction, etc.…”

Section: Introductionmentioning

confidence: 99%

Energy Storage Analysis of a Mixed R161/MOF-5 Nanoparticle Nanofluid Based on Molecular Simulations

Wang

Tang

2018

Materials

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The thermal properties of refrigerants can be modified by adding porous nanoparticles into them. Here, molecular simulations, including molecular dynamics and grand canonical Monte Carlo, were employed to study the thermal energy storage properties of an R161/MOF-5 nanofluid. The results show that the thermodynamic energy change of MOF-5 nanoparticles is linear to the temperature. The adsorption heat calculated by grand canonical Monte Carlo is close to that calculated by the Clausius–Clapeyron equation. Additionally, a negative enhancement of the thermal energy storage capacity of the R161/MOF-5 nanofluid is found near the phase transition area.

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“…Thus, the thermophysical data of R1234ze was retrieved via NIST. UIO-66 is a new type of material; the internal energy changes of the UIO-66 structure with temperature can be obtained by molecular dynamics (MD) simulations [24,25]. The desorption heat of R1234ze in UIO-66 is calculated by grand canonical Monte Carlo (GCMC) simulations [26,27].…”

Section: Simulation Methodsmentioning

confidence: 99%

Molecular Simulations of Adsorption and Thermal Energy Storage of Mixed R1234ze/UIO-66 Nanoparticle Nanofluid

Wang

Tang

Tian

et al. 2019

Journal of Nanomaterials

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In the process of adsorption and separation of fluid molecules on the solid surface of porous nanomaterials, the mutual transformation of thermal energy and surface energy can improve the heat absorption and energy utilization efficiency of circulating working medium. In this study, the adsorption, thermal energy storage, and mean square displacement of the minimum energy adsorption configuration of R1234ze in UIO-66 were studied by molecular simulations, including molecular dynamics (MD) and grand canonical Monte Carlo (GCMC) simulations. The results show that the thermal energy storage density of R1234ze/UIO-66 mixed working medium is significantly higher than that of pure working medium in the temperature range of 20 K-140 K. However, the increase rate of thermal energy storage density decreases significantly as temperature rises, and the mean square displacement and diffusion coefficient increase with increasing temperature.

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Thermal Properties of the Mixed n-Octadecane/Cu Nanoparticle Nanofluids during Phase Transition: A Molecular Dynamics Study

Cited by 42 publications

References 18 publications

Thermal Energy Storage of R1234yf, R1234ze, R134a and R32/MOF-74 Nanofluids: A Molecular Simulation Study

Thermal Energy Storage of R1234yf, R1234ze, R134a and R32/MOF-74 Nanofluids: A Molecular Simulation Study

Energy Storage Analysis of a Mixed R161/MOF-5 Nanoparticle Nanofluid Based on Molecular Simulations

Molecular Simulations of Adsorption and Thermal Energy Storage of Mixed R1234ze/UIO-66 Nanoparticle Nanofluid

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