An Input Data Structure in LAMMPS for Reproducing the Transport Properties of HFC, [C4C1im][BF4], and Their Mixtures

This repository contains the input parameters implemented in LAMMPS (release 2025.7) for reproducing the transport properties of HFC-32, [C4C1im][BF4], and their mixtures reported in the paper, "Unified Mesoscale Framework Bridging Equilibrium Thermodynamics and Transport Properties of Ionic Liquids and Their Mixtures." The same data structure can also be applied to other systems to implement the methodology presented in this work.