[논문]New model for S-shaped isotherm data and its application to process modeling using IAST

Ga, Seongbin; Lee, Sangwon; Park, Gwanhong; Kim, Jihan; Realff, Matthew; Lee, Jay H.

doi:10.1016/j.cej.2020.127580

[해외논문] New model for S-shaped isotherm data and its application to process modeling using IAST

Chemical engineering journal, v.420 pt.2, 2021년, pp.127580 -

Ga, Seongbin (Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology) , Lee, Sangwon (Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology) , Park, Gwanhong (Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology) , Kim, Jihan (Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology) , Realff, Matthew (School of Chemical & Biomolecular Engineering, Georgia Institute of Technology) , Lee, Jay H. (Department of Chemical and Biomolecular Engineering, Korea Advanced Institute of Science and Technology)

Abstract ▼ AI-Helper

Abstract Recently S-shaped (sigmoidal-shaped) adsorption isotherms have attracted much attention as having potential for reduced energy use in pressure or temperature swing based separations. Despite a wide variety of such isotherm data reported in the literature, convenient mathematical representations of S-shaped isotherms are not yet available. The absence of such models relating pressure and uptake values hinders the evaluation of many potentially promising adsorbents in separation and storage. Herein, a new mathematical model is proposed that parameterizes S-shaped isotherm data. The model provides a basis for deriving analytical expressions for the spreading pressures, to achieve a dramatic computational cost reduction in the ideal adsorption solution theory (IAST) calculation for multi-component isotherms. Then, the proposed model is generalized for its broader application. To consider the temperature effect based on isotherm data distributed at varying temperatures, a method is suggested to use such distributed data in fitting a single isotherm model. Each of the models and methods is illustrated with their application examples to facilitate the understanding and clarifying the advantages of the proposed model. Among them, a practical example with simulations of breakthrough experiments is provided. Highlights An S-shaped adsorption isotherm model for gate-opening and breathing adsorbents. Spreading pressure derivation to address mixture adsorption behaviors. Fitting method for the S-shaped isotherm model with varying temperatures. Practical example by applying the isotherm model to a process simulation.

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