Experimentally Verified Alcohol Adsorption Isotherms in Nanoporous Materials from Literature Meta-Analysis
Title | Experimentally Verified Alcohol Adsorption Isotherms in Nanoporous Materials from Literature Meta-Analysis |
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Publication Type | Journal Article |
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Abstract |
Systematic collection of replicate experimental data via literature meta-analysis is a powerful approach for assessing the reproducibility of physical properties data. In this paper, we use meta-analysis to examine the adsorption equilibrium of alcohols in porous materials using a collection of more than 500 alcohol isotherm measurements. We report consensus isotherms (after rejecting outliers) using experimentally measured replicates for 11 systems with methanol, ethanol, 1-propanol, or 2-methylpropan-1-ol adsorption as well as assess experimental reproducibility for another 50 systems with these adsorbates, 1-butanol or 2-phenylethan-1-ol. Our analysis indicates that \~20% of reported adsorption isotherms for alcohols are outliers, an observation that is similar to earlier analyses of CO2 adsorption experiments. We compare a variety of replicate experiments using metal-organic framework adsorbents with predictions from molecular simulations using generic force fields in order to examine the ability of these simulations to predict alcohol adsorption in these materials.
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Year of Publication |
2020
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Journal |
Journal of Chemical and Engineering Data
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Volume |
65
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Number of Pages |
4970-4979
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Date Published |
sep
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