Elementary vibrational model for transport properties of dense fluids

Elementary vibrational model for transport properties of dense fluids

January 9, 2024 | S. A. Khrapak
A vibrational model for transport properties of dense fluids assumes that atoms oscillate around temporary equilibrium positions, which are not fixed but allow diffusion, enabling liquid flow. Unlike solids, these positions do not form regular structures, and the diffusive motion occurs on longer time scales than solid-like oscillations. This model provides a coherent description of transport properties such as self-diffusion, shear viscosity, and thermal conductivity in dense fluids. The model is simple, with no free parameters, and relates transport coefficients to collective excitations in dense fluids. It has been applied to various systems, including plasma-related Coulomb and screened Coulomb (Yukawa) fluids, Lennard-Jones fluids, and hard-sphere fluids. The model shows good agreement with experimental and numerical data. The vibrational model is based on excess entropy scaling, where transport coefficients are expressed as exponential functions of reduced excess entropy. This scaling is consistent with isomorph theory, which suggests that certain properties remain invariant along lines of constant excess entropy in the phase diagram. The model also explains the crossover between gas-like and liquid-like dynamics, with minima in shear viscosity and thermal conductivity indicating this transition. The vibrational model of thermal conductivity is derived from collective mode properties and is consistent with excess entropy scaling. The model has been applied to one-component plasma (OCP) fluids, where it predicts thermal conductivity coefficients in agreement with molecular dynamics simulations. The model's predictions for self-diffusion, viscosity, and thermal conductivity are consistent with numerical simulations, and the SE relation is validated for strongly coupled OCP fluids. The model's applicability is limited to certain regimes, and the SE coefficient is found to be approximately 0.14 in the strongly coupled regime. The model provides a quantitative description of transport properties in dense fluids, with good agreement with experimental data.A vibrational model for transport properties of dense fluids assumes that atoms oscillate around temporary equilibrium positions, which are not fixed but allow diffusion, enabling liquid flow. Unlike solids, these positions do not form regular structures, and the diffusive motion occurs on longer time scales than solid-like oscillations. This model provides a coherent description of transport properties such as self-diffusion, shear viscosity, and thermal conductivity in dense fluids. The model is simple, with no free parameters, and relates transport coefficients to collective excitations in dense fluids. It has been applied to various systems, including plasma-related Coulomb and screened Coulomb (Yukawa) fluids, Lennard-Jones fluids, and hard-sphere fluids. The model shows good agreement with experimental and numerical data. The vibrational model is based on excess entropy scaling, where transport coefficients are expressed as exponential functions of reduced excess entropy. This scaling is consistent with isomorph theory, which suggests that certain properties remain invariant along lines of constant excess entropy in the phase diagram. The model also explains the crossover between gas-like and liquid-like dynamics, with minima in shear viscosity and thermal conductivity indicating this transition. The vibrational model of thermal conductivity is derived from collective mode properties and is consistent with excess entropy scaling. The model has been applied to one-component plasma (OCP) fluids, where it predicts thermal conductivity coefficients in agreement with molecular dynamics simulations. The model's predictions for self-diffusion, viscosity, and thermal conductivity are consistent with numerical simulations, and the SE relation is validated for strongly coupled OCP fluids. The model's applicability is limited to certain regimes, and the SE coefficient is found to be approximately 0.14 in the strongly coupled regime. The model provides a quantitative description of transport properties in dense fluids, with good agreement with experimental data.
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Understanding Elementary vibrational model for transport properties of dense fluids