000200561 001__ 200561
000200561 005__ 20190101012945.0
000200561 0247_ $$2doi$$a10.1002/aic.14058
000200561 022__ $$a0001-1541
000200561 02470 $$2ISI$$a000321960400029
000200561 037__ $$aARTICLE
000200561 245__ $$aEvaluating mixture adsorption models using molecular simulation
000200561 260__ $$c2013
000200561 269__ $$a2013
000200561 336__ $$aJournal Articles
000200561 500__ $$aTimes Cited: 0
000200561 500__ $$aSwisher, Joseph A. Lin, Li-Chiang Kim, Jihan Smit, Berend
000200561 520__ $$aThe design of adsorption-based separation processes using novel adsorbents requires reliable data for the adsorption of fluid mixtures on candidate adsorbents. Due to the difficulty of generating sufficient data across possible operating conditions, process designs generally rely on interpolation of pure-component data using a model, most commonly ideal adsorbed solution theory (IAST), and related theories. There are many cases where IAST fails to provide an adequate description of mixture adsorption, usually due to the fact that practical adsorbents do not have uniform surfaces. We have evaluated the use of a segregated version of IAST, where competition is assumed to occur at isolated adsorption sites. This simple modification can provide the correct description of adsorption across a large range of pressures using ideal isotherm models. We also demonstrate the importance of identifying multiple sites even for weakly adsorbing components to provide the correct behavior at high pressure. © 2013 American Institute of Chemical Engineers.
000200561 700__ $$aSwisher, J. A.
000200561 700__ $$aLin, L. C.
000200561 700__ $$aKim, J.
000200561 700__ $$0248290$$aSmit, B.$$g242254
000200561 773__ $$j59$$k8$$q3054-3064$$tAiche Journal
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