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Simulation and Experimental Study on Thermal Conductivity of [EMIM][DEP] + \(\mathbf{H}_\mathbf{2}{} \mathbf{O}\) + SWCNTs Nanofluids as a New Working Pairs

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Abstract

In this paper, the single-wall carbon nanotubes (SWCNTs) were dispersed into ionic liquid, 1-ethyl-3-methylimidazolium diethylphosphate ([EMIM][DEP]), and its aqueous solution [EMIM][DEP](1) + \(\hbox {H}_{2}\hbox {O}(2)\) to enhance the thermal conductivity of base liquids, which will be the promising working pairs for absorption heat pumps and refrigerators. The enhancement effects on thermal conductivity were studied by experiment and molecular dynamic simulation (MD) methods. The thermal conductivities of [EMIM][DEP] + SWCNTs (INF) and [EMIM][DEP](1) + \(\hbox {H}_{2}\hbox {O}(2)\) + SWCNT(SNF) both with SWCNT mass fraction of 0.5, 1, and 2 (wt%) were measured by transient hot-wire method. The results indicate that the enhancement ratio of thermal conductivity of INF, and SNF can approach 1.30 when SWCNT is 2 (wt%). Moreover, SWCNTs has a higher enhancement ratio than multi-wall carbon nanotubes (MWCNTs). Density and thermal conductivity of [EMIM][DEP], [EMIM][DEP](1) + \(\hbox {H}_{2}\hbox {O}(2)\), INF and SNF systems, together with self-diffusion coefficients of \(\hbox {[EMIM]}^{+}\), \(\hbox {[DEP]}^{-}\), [EMIM][DEP] and water in solution [EMIM][DEP](1) + \(\hbox {H}_{2}\hbox {O}(2)\), were investigated by MD simulations. The results indicate that the maximum relative error between the simulated and experimental densities is about 2 %, and the simulated self-diffusion coefficient of [EMIM][DEP] is in the order of magnitude of \(10^{-11}\,\hbox {m}^{2}\cdot \hbox {s}^{-1}\). The average relative deviation for the simulated thermal conductivity of [EMIM][DEP](1) + \(\hbox {H}_{2}\hbox {O}(2)\), INF and SNF from experimental ones are 23.57 %, 5 %, and 5 %, respectively. In addition, the contributions of kinetic energy, potential energy, and virial and partial enthalpy terms to thermal conductivity were also calculated. The results indicate that virial term’s contribution to thermal conductivity is the maximum, which accounts for 75 % to 80 % of total thermal conductivity.

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Abbreviations

\(D_{\mathrm{i}}\) :

Self-diffusion coefficients, \(\hbox {m}^{2}\cdot \hbox {s}^{-1}\)

\(k_{\mathrm{eff}}\) :

Thermal conductivity of nanofluids (INF and SNF), \(\hbox {W}\cdot \hbox {m}^{-1}\cdot \hbox {K}^{-1}\)

\(k_{\mathrm{f}}\) :

Thermal conductivity of [EMIM][DEP] and its aqueous solution, \(\hbox {W}\cdot \hbox {m}^{-1}\cdot \hbox {K}^{-1}\)

\(k_{0}\) and \(k_{1}\) :

The fitting parameters

MSD :

Mean-square displacement, \({\AA ^{2}} \)

T :

Temperature, K

\(x_{1}\) :

Mole fraction of [EMIM][DEP] in solutions

\(\rho _{\mathrm{eff}}\) :

Density of nanofluids (INF and SNF), \(\hbox {g}\cdot \hbox {cm}^{-3}\)

\(\rho _{\mathrm{f}}\) :

Density of [EMIM][DEP] and its aqueous solutions, \(\hbox {g}\cdot \hbox {cm}^{-3}\)

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Acknowledgements

This work was financially supported by the National Natural Science Foundation of China (51376036). The authors want to thanks “Ling Yun” Super Computing Center of Dalian University of Technology for providing the free computational hours and the open sources of LAMMPS: http://lammps.sandia.gov provided by Sandia National Laboratories. The authors also want to thanks Prof. Luo Yi’s research group in Dalian University of Technology for helping us with the theoretical calculation in Gaussian 09 A.01.

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Authors and Affiliations

  1. School of Chemical Engineering, Dalian University of Technology, Dalian, China

    Chang Li, Zongchang Zhao & Tianyu Li

  2. Chemical Machinery School, Dalian University of Technology, Dalian, 116024, China

    Xiaodong Zhang

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  1. Chang Li
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Correspondence to Zongchang Zhao.

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Li, C., Zhao, Z., Zhang, X. et al. Simulation and Experimental Study on Thermal Conductivity of [EMIM][DEP] + \(\mathbf{H}_\mathbf{2}{} \mathbf{O}\) + SWCNTs Nanofluids as a New Working Pairs. Int J Thermophys 39, 41 (2018). https://doi.org/10.1007/s10765-018-2359-2

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