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Introduction to ideal adsorbed solution theory in Microactive: predicting multicomponent adsorption

25 November 2024

With the release of the MicroActive V6.0 and the 3Flex V6.0 software, multicomponentadsorption predictions using ideal adsorbed solution theory (IAST) have been added. IAST is apredictive technique developed by Myers and Prausnitz in 1965. It is used to predict mixed gasadsorption behavior from single component isotherms. This first release of IAST on V6.0 canbe used to predict binary adsorption. IAST has proven to be in good agreement for a variety ofbinary systems, including methane/ethane mixtures in BPL carbon, Xe/Kr mixtures in zeoliteNaA, and propane/propylene mixtures in HKUST-1 (Furmaniak, et. al., pccp, 2015).

IAST relies on several assumptions that are described in the original manuscript, which are listed below (Myers, Prausnitz, AIChE Journal, 1965).

  • The surface of the adsorbent is heterogeneous. Homogeneous surfaces are likely to deviate from ideal behavior.
  • The adsorbents are non-reactive and similar in size/shape to each other.
  • Pure-component isotherms must be accurately measured at low surface coverage, because the integration for spreading pressure is sensitive to this portion of the pure-component isotherm.

With the release of the MicroActive V6.0 and the 3Flex V6.0 software, multicomponentadsorption predictions using ideal adsorbed solution theory (IAST) have been added. IAST is apredictive technique developed by Myers and Prausnitz in 1965. It is used to predict mixed gasadsorption behavior from single component isotherms. This first release of IAST on V6.0 canbe used to predict binary adsorption. IAST has proven to be in good agreement for a variety ofbinary systems, including methane/ethane mixtures in BPL carbon, Xe/Kr mixtures in zeoliteNaA, and propane/propylene mixtures in HKUST-1 (Furmaniak, et. al., pccp, 2015).

IAST relies on several assumptions that are described in the original manuscript, which are listed below (Myers, Prausnitz, AIChE Journal, 1965).

  • The surface of the adsorbent is heterogeneous. Homogeneous surfaces are likely to deviate from ideal behavior.
  • The adsorbents are non-reactive and similar in size/shape to each other.
  • Pure-component isotherms must be accurately measured at low surface coverage, because the integration for spreading pressure is sensitive to this portion of the pure-component isotherm.

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