Influence of dipole moment and anisotropy on entropy scaling of diatomic fluids dataset

This dataset contains extensive equilibrium molecular dynamics simulation data used to analyze and correlate the shear viscosity,self-diffusion coefficient, and thermal conductivity to the residual entropy of dipolar and anisotropic fluids. The main result is that the plus-scaled transport properties of anisotropic dipolar fluids do not collapse onto a single univariate function of entropy alone; instead, they depend on dipole moment, elongation, and temperature. # Model systems covered- 2CLJD fluids (two-center Lennard-Jones plus point dipole): primary dataset - 30 dipolar model fluids across a large parameter space - reduced squared dipole moment: \(0 \le \mu^{*2} \le 20\) - reduced elongation: \(0 \le L^* \le 1\)- Stockmayer fluid - 6 dipolar model fluids across a large parameter space - reduced squared dipole moment: \(0 \le \mu^{*2} \le 20\) - Zero-density limit transport property datasets for Stockmayer and 2CLJD (required for residual entropy scaling) A total of 26297 data files are given in the folder. For transport properties, 6084 state points covering liquid and gas subcritical as well as liquid- and gas-like supercritical states,each sampled with 20 to 60 milion production timesteps. About three replica simulation a 10 milion production timesteps were used for about 4860 state points.