Simulations for Entropy Scaling Behavior of Molecular Models of Molten Salts

Description

Parameters, input scripts, and molecular dynamics simulation results corresponding to the simulations performed for the paper "Entropy Scaling for Viscosity for Molecular Models of Molten Salts" by J.M. Young, I.H. Bell, and A.H. Harvey, submitted to J. Chem. Phys. in September 2022.

Resources

Name Format Description Link
47 README.txt https://data.nist.gov/od/ds/mds2-2790/README.txt
33 Listing of model parameters used for molecular models of molten salts https://data.nist.gov/od/ds/mds2-2790/ModelParameters.pdf
57 zip file containing csv tables of all entropy scaling data https://data.nist.gov/od/ds/mds2-2790/SimulationResults.zip
0 tar file containing example simulation input scripts https://data.nist.gov/od/ds/mds2-2790/SimulationScripts.tar.gz

Tags

  • viscosity
  • molecular-dynamics
  • molten-salt
  • entropy

Topics

Categories