Evaluating mixture adsorption models using molecular simulation

@inproceedings{Swisher2013EvaluatingMA,
  title={Evaluating mixture adsorption models using molecular simulation},
  author={Joseph Andrew Swisher and Li-Chiang Lin and Jihan Kim and Berend Smit},
  year={2013}
}
The design of adsorption-based separation processes using novel adsorbents requires reliable data for the adsorption of fluid mixtures on candidate adsorbents. Due to the difficulty of generating sufficient data across possible operating conditions, process designs generally rely on interpolation of pure-component data using a model, most commonly ideal adsorbed solution theory (IAST), and related theories. There are many cases where IAST fails to provide an adequate description of mixture… CONTINUE READING
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