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'
E. Sauer, and J. Groß. Dataset, (2021)Related to: Sauer, 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.
DOI: 10.18419/darus-1643
Abstract
This 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.
Related to: Sauer, 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
%0 Generic
%1 sauer2021supplementary
%A Sauer, Elmar
%A Groß, Joachim
%D 2021
%K darus ubs_10004 ubs_20005 ubs_30058 ubs_40084 unibibliografie
%R 10.18419/darus-1643
%T 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'
%X This 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.
@misc{sauer2021supplementary,
abstract = {This 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.},
added-at = {2022-03-08T18:38:51.000+0100},
affiliation = {Sauer, Elmar/Universität Stuttgart, Gross, Joachim/Universität Stuttgart},
author = {Sauer, Elmar and Groß, Joachim},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/2495a8bb5fe6dab49bbe8b0be9d4fbbb4/unibiblio},
doi = {10.18419/darus-1643},
howpublished = {Dataset},
interhash = {9284c9c8bd81877f7ea8f263ed9cc77e},
intrahash = {495a8bb5fe6dab49bbe8b0be9d4fbbb4},
keywords = {darus ubs_10004 ubs_20005 ubs_30058 ubs_40084 unibibliografie},
note = {Related to: Sauer, 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},
orcid-numbers = {Gross, Joachim/0000-0001-8632-357X},
timestamp = {2024-02-08T17:16:08.000+0100},
title = {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'},
year = 2021
}