Unified description of size effects of transport properties of liquids flowing in nanochannels

The flow factor approach model for the fluid flow in a nano channel

“…Giannakopoulos et al [18] studied by MDS the size effects of the diffusion coefficient, shear viscosity and thermal conductivity of a simple fluid flowing in a nano channel at a constant temperature. They related these fluid properties to their bulk values respectively by some formulating equations.…”

Molecular dynamics simulation on flows in nano-ribbed and nano-grooved channels

“…Transport properties are difficult to define experimentally or with relations from classical fluid dynamics, especially when extensive shear stresses or non-linearities are present [32,33]. Apart from individual calculations for each one of the three transport properties [34][35][36][37][38][39] diffusion coefficient has been calculated with molecular dynamics simulations and connected with shear viscosity [40], as well as with thermal conductivity [41] through classical algebraic relations.…”

“…Both GK and NEMD methods can be difficult to obtain, with increased computational burden, and calculations can be imprecise when high strain rates and complex channel architectures are present [32]. Giannakopoulos et al [41] proposed a linking scheme that connects transport properties of fluids. For flat-wall channels, if we know the values of the diffusion coefficient, then we can obtain channel shear viscosity η s,ch through the well-known relations…”

Limitations of Applicability of the Green-Kubo Approach for Calculating the Thermal Conductivity of a Confined Liquid in Computer Simulations

“…Petravic and Harrowell generalized the Green-Kubo (GK) formalism describing the transport between two arbitrarily located parallel planes within a sample [4][5][6]. Despite the fact that there is no theoretical basis for using the original GK method for confined systems, in literature one can find works whose authors use the GK formalism (due to its simplicity) for determining thermal conductivity in the case of nanoslits [7,8] and nanochannels [9]. It is worth adding that the application of this method to systems with geometrical confinement can be interesting at least for two reasons.…”