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Updated: Jun 3, 2026

An Analog Macroscopic Technique for Studying Molecular Hydrodynamic Processes in Dense Gases and Liquids
Published on: December 4, 2017
Dynamic density functional theory versus kinetic theory of simple fluids
Umberto Marini Bettolo Marconi1, Simone Melchionna
1Dipartimento di Fisica, Università di Camerino and Istituto Nazionale di Fisica della Materia, Via Madonna delle Carceri, 62032, Camerino, Italy. umberto.marinibettolo@unicam.it
This study introduces a new kinetic theory for molecular fluids, capturing both microscopic structure and fluid dynamics. The method offers a unified approach to diffusive and inertial dynamics, with a novel numerical solution.
Area of Science:
- Statistical Mechanics
- Fluid Dynamics
- Computational Physics
Background:
- Existing dynamic density functional theory (dDFT) models particle density evolution.
- Hydrodynamic interactions and microscopic structure are crucial for molecular fluids.
- Bridging microscopic and hydrodynamic behaviors remains a challenge.
Purpose of the Study:
- To develop a kinetic description for molecular fluids.
- To incorporate microscopic structure and thermodynamic properties.
- To accurately model hydrodynamic behavior.
Main Methods:
- Combined kinetic theory and density functional theory.
- Focused on one-particle phase space distribution evolution.
- Developed a numerical algorithm using lattice Boltzmann-like discretization.
Main Results:
- A novel equation describing molecular fluid dynamics.
- Successfully modeled both diffusive and inertial dynamics.
- Proposed an efficient numerical solver.
Conclusions:
- The new kinetic description provides a comprehensive model for molecular fluids.
- The method accurately captures thermodynamic and hydrodynamic properties.
- The numerical approach enables efficient simulations.
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