On the prediction of adsorption isotherms of methanol/water vapour mixtures on microporous activated carbon

Finqueneisel, G.; Zimny, T.; Weber, Jens

doi:10.1016/j.carbon.2004.11.031

Cited by 5 publications

(2 citation statements)

References 5 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The alcohol loading at low fugacity shows a small increase with the water fugacity ratio, although the shape of the isotherm remains the same as that for single-component adsorption. Although the ideal adsorbed solution theory (IAST) has shown to be able to describe the adsorption behavior of water and methanol on activated carbon, in this system, the IAST fails to predict the adsorption correctly.…”

Section: Resultsmentioning

confidence: 99%

“…This adsorption behavior is comparable to that observed for methanol/water coadsorption on activated carbon. 83,87 The increased adsorption in the mixture as compared to singlecomponent adsorption is significantly more pronounced for water than that for the alcohols. Such an increase in water loading was also observed by Jia et al, who conducted molecular simulations for ethanol/water in silicalite-1.…”

Section: Discussionmentioning

confidence: 99%

See 1 more Smart Citation

Adsorption and Diffusion of Water, Methanol, and Ethanol in All-Silica DD3R: Experiments and Simulation

et al. 2009

View full text Add to dashboard Cite

This study comprises both experimental measurement as well as molecular modeling of the adsorption of water, methanol, and ethanol on the hydrophobic all-silica decadodecasil 3R (DD3R) zeolite. The simulation data are compared with permeation data of these components, measured using a DD3R membrane under pervaporation conditions. The pure-component isotherms are measured by vapor-phase adsorption and are calculated by grand canonical Monte Carlo (GCMC) simulations. The simulations are conducted using molecular models from the literature, without any adjustments. The simulation results are in fair agreement with the experimental adsorption data. Computed mixture adsorption isotherms show that the water loading is significantly increased as compared to pure-component adsorption. The shape of the computed water isotherm changes from type II to type I when alcohol is present. The loading of both methanol and ethanol at low fugacities is slightly enhanced by the presence of water. The self-diffusivites are calculated using MD simulations. The self-diffusivity of water in DD3R is substantially larger than the diffusivites of both alcohols but is decreased in the presence of methanol or ethanol. The ethanol diffusivity is too low to be determined by conventional MD simulations. The flux calculated from the MD and GCMC results overpredicts the experimental values, but the predicted membrane selectivity corresponds well to the experimental data. The mechanism of separation in the dewatering of alcohols using a hydrophobic DD3R membrane is based on the high diffusivity of water as compared to that of the alcohols, where especially ethanol suffers from diffusion limitations.

show abstract

Section: Resultsmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%