Journal of Molecular Modeling

, 22:216 | Cite as

Dissipative particle dynamics simulations of the viscosities of molten TNT and molten TNT suspensions containing nanoparticles

Original Paper
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Abstract

Based on dissipative particle dynamics (DPD) methods and experimental data, we used an empirical relationship between the DPD temperature and the real temperature to build a model that describes the viscosity of molten TNT fluids. The errors in the predicted viscosity based on this model were no more than 2.3 %. We also studied the steady-state shear rheological behavior of molten TNT fluids containing nanoparticles (“nanofluids”). The dependence of the nanofluid viscosity on the temperature was found to satisfy an Arrhenius-type equation, η = Ae B/T , where B, the flow activation energy, depends on particle content, size, and shape. We modified the Einstein-type viscosity model to account for the effects of nanoparticle solvation in TNT nanofluids. The resulting model was able to correctly predict the viscosities of suspensions containing nano- to microsized particles, and did not require any changes to the physical background of Einstein’s viscosity theory.

Graphical Abstract

The revised Einstein viscosity model that correctly predict the viscosity of TNT suspensions containing nanoparticles

Keywords

TNT fluid Nanofluid Viscosity Computer simulation 
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Notes

Acknowledgments

All of the authors greatly appreciate the financial support from the Foundation of CAEP (no. 2014B0302040, 2014-1-075) and the National Natural Sciences Foundation of China (no. 11402241).

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Copyright information

© Springer-Verlag Berlin Heidelberg 2016

Authors and Affiliations

  1. 1.Institute of Chemical MaterialsChinese Academy of Engineering and PhysicsMianyangChina

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