期刊
JOURNAL OF CHEMICAL AND ENGINEERING DATA
卷 65, 期 10, 页码 4970-4979出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jced.0c00598
关键词
-
资金
- Advanced Manufacturing Office of the Office of Energy Efficiency and Renewable Energy of the Department of Energy [DE-EE0007888]
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 similar to 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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