{"@type": "dcat:Dataset", "accessLevel": "public", "bureauCode": ["006:55"], "contactPoint": {"fn": "Allan H. Harvey", "hasEmail": "mailto:allan.harvey@nist.gov"}, "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.", "distribution": [{"description": "Listing of model parameters used for molecular models of molten salts", "downloadURL": "https://data.nist.gov/od/ds/mds2-2790/ModelParameters.pdf", "format": "PDF document", "mediaType": "application/pdf", "title": "Model parameters"}, {"description": "tar file containing example simulation input scripts", "downloadURL": "https://data.nist.gov/od/ds/mds2-2790/SimulationScripts.tar.gz", "format": "tar.gz", "mediaType": "application/gzip", "title": "Simulation scripts"}, {"description": "zip file containing csv tables of all entropy scaling data", "downloadURL": "https://data.nist.gov/od/ds/mds2-2790/SimulationResults.zip", "format": "zip file", "mediaType": "application/x-zip-compressed", "title": "Simulation results"}, {"downloadURL": "https://data.nist.gov/od/ds/mds2-2790/README.txt", "mediaType": "text/plain"}], "identifier": "ark:/88434/mds2-2790", "issued": "2022-10-03", "keyword": ["entropy", "molecular dynamics", "molten salt", "viscosity"], "language": ["en"], "license": "https://www.nist.gov/open/license", "modified": "2022-09-21 00:00:00", "programCode": ["006:045"], "publisher": {"@type": "org:Organization", "name": "National Institute of Standards and Technology"}, "theme": ["Chemistry:Chemical thermodynamics and chemical properties", "Chemistry:Theoretical chemistry and modeling", "Physics:Thermodynamics"], "title": "Simulations for Entropy Scaling Behavior of Molecular Models of Molten Salts"}