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Structural)","subjectScheme":"Australian and New Zealand Standard Research Classification (ANZSRC), 2008","classificationCode":"0306"},{"subject":"FOS: Chemical sciences","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Theoretical and Computational Chemistry","subjectScheme":"Australian and New Zealand Standard Research Classification (ANZSRC), 2008","classificationCode":"0307"},{"subject":"Environmentally Sustainable Transport","subjectScheme":"Australian and New Zealand Standard Research Classification (ANZSRC), 2008","classificationCode":"8898"},{"subject":"Chemical Engineering","subjectScheme":"Australian and New Zealand Standard Research Classification (ANZSRC), 2008","classificationCode":"0904"},{"subject":"FOS: Chemical engineering","schemeUri":"http://www.oecd.org/science/inno/38235147.pdf","subjectScheme":"Fields of Science and Technology (FOS)"},{"subject":"Engineering","subjectScheme":"Australian and New Zealand Standard Research Classification (ANZSRC), 2008","classificationCode":"09"},{"subject":"Transport","subjectScheme":"Australian and New Zealand Standard Research Classification (ANZSRC), 2008","classificationCode":"88"},{"subject":"Chemical Sciences","subjectScheme":"Australian and New Zealand Standard Research Classification (ANZSRC), 2008","classificationCode":"03"},{"subject":"Molecular Simulations"},{"subject":"Impurities"},{"subject":"CO2 transportation"},{"subject":"Molecular Dynamics"},{"subject":"Statistical Mechanics"}],"contributors":[{"name":"TU Delft, Faculty Of Mechanical Engineering, Department Of Process And Energy, Engineering Thermodynamics.","nameType":"Organizational","affiliation":[],"contributorType":"Other","nameIdentifiers":[]}],"dates":[{"date":"2024-08-15","dateType":"Issued"}],"language":"en","types":{"ris":"DATA","bibtex":"misc","citeproc":"dataset","schemaOrg":"Dataset","resourceType":"Dataset","resourceTypeGeneral":"Dataset"},"relatedIdentifiers":[{"relationType":"IsSupplementTo","relatedIdentifier":"10.1021/acs.jced.4c00268","relatedIdentifierType":"DOI"}],"relatedItems":[],"sizes":[],"formats":["Molecular Dynamics (Lammps) and Monte Carlo (brick) simulation input/output files"],"version":"1","rightsList":[{"rights":"Creative Commons Zero v1.0 Universal","rightsUri":"https://creativecommons.org/publicdomain/zero/1.0/legalcode","schemeUri":"https://spdx.org/licenses/","rightsIdentifier":"cc0-1.0","rightsIdentifierScheme":"SPDX"}],"descriptions":[{"description":"Sample simulation files for \"Thermophysical Properties and Phase Behavior of CO2 with Impurities: Insight from Molecular Simulations\". 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