Rheological behaviour of shear thickening fluid of graphene oxide and SiO2 polyethylene glycol 400-based fluid with molecular dynamic simulation

M Zojaji and A Hydarinasab and SH Hashemabadi and M Mehranpour, MOLECULAR SIMULATION, 47, 317-325 (2021).

DOI: 10.1080/08927022.2021.1872786

This study presents the influences of shear values and temperature effects on shear thickening fluids by using the non-equilibrium molecular dynamic simulations. For this, the fluids were simulated with a low value of shear under constant temperature (300 K) and then the shear value increases to prepare thickening condition of the fluid. We calculate the viscosity of fluids with precise atomic arrangement via molecular dynamic approaches. In these methods, each atomic structure is represented by C, Si, O, and H atoms and an interatomic force field is implemented to describe their interactions. Molecular dynamic results show that, by increasing the inserted shear value, the viscosity of fluids increases and then decreases dramatically. The SiO2 atomic ratio variation shows that by increasing this physical parameter to 49.5%, the jamming viscosity reaches to 132.54 Pa.s. Furthermore, the temperature of the simulated system is a prominent parameter on the viscosity of the fluid and the jamming viscosity decreases to 37.24 Pa.s by increasing the temperature to 375 K. By increasing pressure in simulated structures, the jamming viscosity occurs with smaller rates. Finally, Rheological results show that, DREIDING and Universal force fields have the ability to simulate shear thickening fluids and correctly estimate their rheological behaviour.

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