The predictive capabilities of some existing theoretical models to quantify thermodiffusion
have been investigated in this work. To do so, the tests have been performed on two model …

Transport properties of working fluids are of great importance of analyses of supercritical
thermodynamic cycles. However, at the present stage, the lack of available data poses …

Rosenfeld proposed two different scaling approaches to model the transport properties of
fluids, separated by 22 years, one valid in the dilute gas, and another in the liquid phase. In …

The bulk viscosity of molecular models of gases and liquids is determined by molecular
simulations as a combination of a dilute gas contribution, arising due to the relaxation of …

In this work, we developed a new self-diffusion coefficient model for chain-like fluids, which
was coupled with the SE equation to simultaneously describe transport properties (ie, self …

We propose a simple and generic definition of a demarcation reconciling structural and
dynamic frameworks when combined with the entropy scaling framework. This crossover …

An empirical multi-parameter equation of state in terms of the reduced Helmholtz energy is
presented for the Mie (λ r-6) fluid with a repulsive exponent λ r from 11 to 13. The equation is …

This work reports the computation and modeling of the self-diffusivity (D*), shear viscosity
(η*), and thermal conductivity (κ*) of the Mie fluid. The transport properties were computed …

In this study, we present an approach for rapid force field parameterization and uncertainty
quantification of the non-bonded interaction parameters for classical force fields. The …

We develop a simplification of our recently proposed uf-theory for describing the
thermodynamics of simple fluids and fluids comprising short chain molecules. In its original …