Kinetic and thermodynamic property study of electrostatic-assisted porous liquids, nanofluids and nanoparticle organic hybrid materials by molecular dynamics simulation

LS Sheng and Y Wang and ZQ Chen, COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 674, 131898 (2023).

DOI: 10.1016/j.colsurfa.2023.131898

Despite similar components, electrostatic-assisted porous liquids, nanofluids and nanoparticle organic hybrid materials have different stability, thermodynamic and kinetic characteristics, mainly because of different preparation methods and core contents. In this work, porous liquids proved to be fluid at near room temperature and exist stably by molecular dynamics simulations. In contrast, nanoparticles of nanofluids tended to aggregate from one another because of the strong interaction between nanoparticles when the canopies were squeezed out. In addition, simulation results demonstrated that the degree of polymerization, core size and grafting density had distinct effects on glass transition temperature, dispersion and viscosity, which were brought by a combination of factors, including solid content and intramolecular / intermolecular entanglement.

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