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    BIOVIAMaterials Science

    Sorption

    Molecular adsorption into microporous structures such as zeolites, aluminophosphates, or polymers is crucial in numerous applications including air separation, hydrocarbon cracking, gas sensors, and ion exchange. BIOVIA Materials Studio Sorption provides a means of predicting fundamental properties, such as sorption isotherms (or loading curves) and Henry’s constants, needed for investigating separations phenomena. In addition, modeling can be used to rationalize sorption properties in terms of molecular level processes.

    About Materials Studio
    Level
    Fundamental
    Length
    2 hours

    Topics covered

    • Tasks
    • Fixed Pressure, Fixed Loading, Henry Constant, Adsorption Isotherm, Sorbate Location
    • Configuration Sampling
    • Monte Carlo Methods
    • Other DialogTabs:
    • Energy, Constraints, Properties
    • Simulation Tips
    • Scripting
    • Adsorption Locator vs. Sorption

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