MOLECULAR DYNAMICS PERSPECTIVES ON NONIDEAL FLUID MODELS IN THE LATTICE BOLTZMANN METHODID: 3459 Abstract :Despite Their Widespread Use, Mesoscopic Models For Nonideal Fluids Have Rarely Been Systematically Validated Against Microscopic Simulations. In This Work, Molecular Dynamics (MD) Simulations Of Confined Fluids Are Mapped Onto A Mesoscopic Framework, Enabling Direct Comparison With Lattice Boltzmann (LBM) Formulations. By Analyzing The Moments Of The Distribution Function, We Identify A Force Formulation That Consistently Reproduces The Microscopic Statistics And Macroscopic Force Balance. The Results Show That A Hybrid Formulation Combining Pseudopotential And Free-energy Approaches Provides The Most Consistent Description. These Findings Establish A Direct Link Between Microscopic Particle Dynamics And Mesoscopic Modeling, Offering Practical Guidance For The Development And Selection Of LBM Models For Nonideal And Multiphase Flows |
Published:30-10-2025 Issue:Vol. 25 No. 10 (2025) Page Nos:549 - 555 Section:Articles License:This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License. How to Cite |