Supplementary material for 'Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory'https://doi.org/10.18419/darus-1643Sauer, ElmarGross, JoachimDaRUS2021-03-292021-03-29T10:41:42ZThis dataset contains simulation results in ASCII format accompanying the mentioned publication. The filename is structured in the following kind: Number of the figure in which the data is shown, method of simulation (TMMC Transition Matrix Monte Carlo, DFT Density Functional Theory), adsorbate(s), temperature, poregeometry (cylindrical pore or slitpore - the size of slitpores is given in the files). For DFT results files are distinguished by adsorption and desorption.PhysicsAdsorptionClassical DFTClassical Density Functional TheoryMonte CarloSauer, Elmar; Gross, Joachim (2019): Prediction of Adsorption Isotherms and Selectivities: Comparison between Classical Density Functional Theory Based on the Perturbed-Chain Statistical Associating Fluid Theory Equation of State and Ideal Adsorbed Solution Theory. In Langmuir, doi, 10.1021/acs.langmuir.9b02378, http://doi.org/10.1021/acs.langmuir.9b023782021-03-29Keßler, Christopher2021-03-07Results obtained from Density Functional Theory and Transition Matrix Monte Carlo SimulationsCC BY 4.0