Thermal conductivity and viscosity of nanofluids: A review of recent molecular dynamics studies

Jabbari, Fatemeh; Rajabpour, Ali; Saedodin, Seifollah

doi:10.1016/j.ces.2017.08.034

Cited by 155 publications

(61 citation statements)

References 84 publications

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Section: Introductionmentioning

confidence: 99%

“…Evaluating dissipative properties of molecules is a task that is becoming essential in computational chemistry, especially in molecular dynamics (MD) simulations of macromolecules and ensembles of macromolecules. [1][2][3][4][5][6][7][8][9][10] Coarse-graining (CG) techniques prefer, when possible, to treat the medium implicitly as a thermal bath that contributes to the energetics in a mean field fashion and to the dynamics by imposing fluctuation-dissipation to the momenta associated with the coordinates of the relevant part of the system, which is described explicitly. Under these assumptions, the time evolution of the relevant coordinates is stochastic and in the diffusive regime (which is a reasonable assumption for most molecules in room temperature solvents), the dynamics is Brownian, and described by a diffusion tensor.…”

Section: Introductionmentioning

confidence: 99%

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DiTe2: Calculating the diffusion tensor for flexible molecules

2018

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We report on an extended hydrodynamic modeling of the friction tensorial properties of flexible molecules including all types of natural, Z‐Matrix like, internal coordinates. We implement the new methodology by extending and updating the software DiTe [Barone et al. J. Comput. Chem. 30, 2 (2009)]. DiTe (DIffusion TEnsor) implements a hydrodynamic modeling of the generalized translational, rotational, and configurational friction and diffusion tensors of flexible molecules in which flexibility is described in terms of dihedral angles. The new tool, DiTe2, has been renewed to include also stretching and bending types of internal mobility. Furthermore, DiTe2 is able to calculate the friction and diffusion tensors along collective (or reaction) coordinates defined as linear combinations of the internal natural ones. A number of tests are reported to show the new features of DiTe2. As leitmotiv for the tests, the calmodulin protein is taken into consideration, described both at all‐atom and coarse‐grained levels. © 2018 Wiley Periodicals, Inc.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

DiTe2: Calculating the diffusion tensor for flexible molecules

2018

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“…This viscosity increasing phenomenon can be interpreted as the increasing nanoparticle concentration dispersed in the base fluid that improved the internal shear stress, subsequently increasing the viscosity [ 73 ]. The free volume in the nanofluid structure will increase and the internal friction forces between the molecules decrease [ 74 ]. The main effect plot shows that the high concentration enhances the viscosity of the liquid as shown in Figure 18 a,b, and shows the predicted viscosity where the error was in the range of 2–10% and Figure 18 c shows the decrement in the viscosity of the liquid.…”

Section: Discussionmentioning

confidence: 99%

Thermal Performance of Hybrid-Inspired Coolant for Radiator Application

et al. 2020

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Due to the increasing demand in industrial application, nanofluids have attracted the considerable attention of researchers in recent decades. The addition of nanocellulose (CNC) with water (W) and ethylene glycol (EG) to a coolant for a radiator application exhibits beneficial properties to improve the efficiency of the radiator. The focus of the present work was to investigate the performance of mono or hybrid metal oxide such as Al2O3 and TiO2 with or without plant base-extracted CNC with varying concentrations as a better heat transfer nanofluid in comparison to distilled water as a radiator coolant. The CNC is dispersed in the base fluid of EG and W with a 60:40 ratio. The highest absorption peak was noticed at 0.9% volume concentration of TiO2, Al2O3, CNC, Al2O3/TiO2, and Al2O3/CNC nanofluids which indicates a better stability of the nanofluids’ suspension. Better thermal conductivity improvement was observed for the Al2O3 nanofluids in all mono nanofluids followed by the CNC and TiO2 nanofluids, respectively. The thermal conductivity of the Al2O3/CNC hybrid nanofluids with 0.9% volume concentration was found to be superior than that of the Al2O3/TiO2 hybrid nanofluids. Al2O3/CNC hybrid nanofluid dominates over other mono and hybrid nanofluids in terms of viscosity at all volume concentrations. CNC nanofluids (all volume concentrations) exhibited the highest specific heat capacity than other mono nanofluids. Additionally, in both hybrid nanofluids, Al2O3/CNC showed the lowest specific heat capacity. The optimized volume concentration from the statistical analytical tool was found to be 0.5%. The experimental results show that the heat transfer coefficient, convective heat transfer, Reynolds number and the Nusselt number have a proportional relationship with the volumetric flow rate. Hybrid nanofluids exhibit better thermal conductivity than mono nanofluids. For instance, a better thermal conductivity improvement was shown by the mono Al2O3 nanofluids than the CNC and TiO2 nanofluids. On the other hand, superior thermal conductivity was observed for the Al2O3/CNC hybrid nanofluids compared to the other mono and hybrid ones (Al2O3/TiO2).

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“…Since the discovery of the nanofluids, many papers on their thermal properties have been published up to now. Wide overview of these papers can be found in a few review papers [1][2][3]. Generally, addition of nanoparticles to base fluids causes improvement in thermal conductivity, but also has negative effect on other properties such as viscosity, which is equally important in context of practical use of nanofluids.…”

Section: Introductionmentioning

confidence: 99%

“…Rheological properties of this type of fluids are also intensively investigated by researchers. Many review papers [3,4] were published where authors present comparison of rheological properties of various types of nanofluids. Another type of properties of nanofluids, which are poorly studied by researchers are electrical conductivity [5,6], optical properties [7], breakdown voltage [8,9], dielectric properties [10], and surface tension [11].…”

Section: Introductionmentioning

confidence: 99%

Experimental Investigation of Electrical Conductivity of Ethylene Glycol Containing Indium Oxide Nanoparticles

et al. 2019

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Nanofluids as a quite new group of nanomaterials are very promising. A great potential of nanofluids was noted in second half of twentieth century and it was related with high increase of thermal conductivity. The most favourable effects of using nanofluids can be achieved in heat transfer systems, but also in other branch of industry like car, energy, and mining industry, even biomedicine industry. This paper presents results of experimental investigation of electrical conductivity of nanosuspension containing indium oxide nanoparticles dispersed in ethylene glycol. Five samples with volume fraction in the range 0.0016-0.0081 were prepared using two-step method. After preparation, all samples were impatiently investigated in controlled temperatures in the range from 298.15 K to 333.15 K. Measurement were conducted using conductivity meter MultiLine 3630 working with conductivity probe LR925/01 (WTW GmbH, Weilheim, Germany). Obtained results indicate that changes in volume concentration and temperature have strong impact on electrical conductivity of In2O3-EG nanofluids.

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Thermal conductivity and viscosity of nanofluids: A review of recent molecular dynamics studies

Cited by 155 publications

References 84 publications

DiTe2: Calculating the diffusion tensor for flexible molecules

DiTe2: Calculating the diffusion tensor for flexible molecules

Thermal Performance of Hybrid-Inspired Coolant for Radiator Application

Experimental Investigation of Electrical Conductivity of Ethylene Glycol Containing Indium Oxide Nanoparticles

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